Term IRI Term label Parent term IRI Parent term label Alternative term Definition http://purl.obolibrary.org/obo/IAO_0000005 objective specification http://purl.obolibrary.org/obo/IAO_0000033 directive information entity goal specification A directive information entity that describes an intended process endpoint. When part of a plan specification the concretization is realized in a planned process in which the bearer tries to effect the world so that the process endpoint is achieved. http://purl.obolibrary.org/obo/IAO_0000027 data item http://purl.obolibrary.org/obo/IAO_0000030 information content entity data An information content entity that is intended to be a truthful statement about something (modulo, e.g., measurement precision or other systematic errors) and is constructed/acquired by a method which reliably tends to produce (approximately) truthful statements. http://purl.obolibrary.org/obo/IAO_0000300 textual entity http://purl.obolibrary.org/obo/IAO_0000030 information content entity text A textual entity is a part of a manifestation (FRBR sense), a generically dependent continuant whose concretizations are patterns of glyphs intended to be interpreted as words, formulas, etc. http://purl.obolibrary.org/obo/IAO_0000577 centrally registered identifier symbol http://purl.obolibrary.org/obo/IAO_0000028 symbol CRID symbol A symbol that is part of a CRID and that is sufficient to look up a record from the CRID's registry. http://purl.obolibrary.org/obo/IAO_0000578 centrally registered identifier http://purl.obolibrary.org/obo/IAO_0020000 identifier CRID An information content entity that consists of a CRID symbol and additional information about the CRID registry to which it belongs. http://purl.obolibrary.org/obo/IAO_0000579 centrally registered identifier registry http://purl.obolibrary.org/obo/IAO_0000100 data set CRID registry A CRID registry is a dataset of CRID records, each consisting of a CRID symbol and additional information which was recorded in the dataset through a assigning a centrally registered identifier process. http://purl.obolibrary.org/obo/OBI_0000025 reference substance role http://purl.obolibrary.org/obo/BFO_0000023 role reference substance a role inhering in a material entity that is realized when characteristics or responses elicited by the substance are used for comparison or reference. http://purl.obolibrary.org/obo/OBI_0000070 assay http://purl.obolibrary.org/obo/OBI_0000011 planned process scientific observation A planned process with the objective to produce information about the material entity that is the evaluant, by physically examining it or its proxies. http://purl.obolibrary.org/obo/OBI_0000086 reagent role http://purl.obolibrary.org/obo/BFO_0000023 role reagent A role inhering in a biological or chemical entity that is intended to be applied in a scientific technique to participate (or have molecular components that participate) in a chemical reaction that facilitates the generation of data about some entity distinct from the bearer, or the generation of some specified material output distinct from the bearer. http://purl.obolibrary.org/obo/OBI_0000094 material processing http://purl.obolibrary.org/obo/OBI_0000011 planned process material transformation A planned process which results in physical changes in a specified input material. http://purl.obolibrary.org/obo/OBI_0000415 polymerase chain reaction http://purl.obolibrary.org/obo/OBI_0600058 enzymatic amplification PCR PCR is the process in which a DNA polymerase is used to amplify a piece of DNA by in vitro enzymatic replication. As PCR progresses, the DNA thus generated is itself used as a template for replication. This sets in motion a chain reaction in which the DNA template is exponentially amplified. http://purl.obolibrary.org/obo/OBI_0000456 material transformation objective http://purl.obolibrary.org/obo/IAO_0000005 objective specification artifact creation objective an objective specifiction that creates an specific output object from input materials. http://purl.obolibrary.org/obo/OBI_0000968 device http://purl.obolibrary.org/obo/CHMO_0000993 portion of material instrument A material entity that is designed to perform a function in a scientific investigation, but is not a reagent. http://purl.obolibrary.org/obo/OBI_0200000 data transformation http://purl.obolibrary.org/obo/OBI_0000011 planned process data processing A planned process that produces output data from input data. http://purl.obolibrary.org/obo/OBI_0500000 study design http://purl.obolibrary.org/obo/IAO_0000104 plan specification experimental design A plan specification comprised of protocols (which may specify how and what kinds of data will be gathered) that are executed as part of an investigation and is realized during a study design execution. http://biomodels.net/SBO/SBO_0000491 diffusion coefficient http://biomodels.net/SBO/SBO_0000009 kinetic constant mass diffusivity A proportionality constant between the molar flux due to molecular diffusion and the gradient in the concentration of the species (or the driving force for diffusion). Diffusivity is encountered in Fick's law and numerous other equations of physical chemistry. http://purl.obolibrary.org/obo/PROCO_0000043 stir rate profile http://purl.obolibrary.org/obo/PROCO_0000047 quality process profile stirring profile in synthesis process A process profile that represents the number of revolution of stirs given a specific time period http://purl.obolibrary.org/obo/CHEBI_33839 macromolecule http://purl.obolibrary.org/obo/CHEBI_23367 molecular entity polymer A macromolecule is a molecule of high relative molecular mass, the structure of which essentially comprises the multiple repetition of units derived, actually or conceptually, from molecules of low relative molecular mass. http://purl.obolibrary.org/obo/GO_0032991 protein-containing complex http://purl.obolibrary.org/obo/BFO_0000040 material entity protein complex A stable assembly of two or more macromolecules, i.e. proteins, nucleic acids, carbohydrates or lipids, in which at least one component is a protein and the constituent parts function together. http://purl.obolibrary.org/obo/PROCO_0000013 critical quality attribute http://purl.obolibrary.org/obo/BFO_0000019 quality CQA A physical, chemical, biological, or microbiological property or characteristic that should be within an appropriate limit, range, or distribution to ensure the desired product quality. http://purl.obolibrary.org/obo/PROCO_0000016 critical process parameter specification http://purl.obolibrary.org/obo/PROCO_0000015 process profile specification CPP specification A process profile specification that is associated with a critical process parameter (CPP). Critical process parameters (CPPs) in pharmaceutical manufacturing are key variables affecting the production process. http://purl.obolibrary.org/obo/PROCO_0000033 GMP synthetic process http://purl.obolibrary.org/obo/PROCO_0000001 synthetic chemical process commercial synthetic process A synthetic process governed by the cGMP regulations. http://purl.obolibrary.org/obo/PROCO_0000036 charging material http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing inserting material A unit operation of adding a reagent or starting material to a chemical reaction http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing http://purl.obolibrary.org/obo/OBI_0000011 planned process unit operation A basic and unit step in a process http://purl.obolibrary.org/obo/PROCO_0000052 crystallization http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing crystallization A process that has as a material output a crystalline solid or a mixture that has as an ingredient a crystalline solid. http://purl.obolibrary.org/obo/PROCO_0000053 process mass intensity http://purl.obolibrary.org/obo/PROCO_0000295 process chemistry datum PMI The process mass intensity (PMI) calculates the ratio of the total mass of materials to the mass of the isolated product http://purl.obolibrary.org/obo/PROCO_0000055 impurity fate and purge determination http://purl.obolibrary.org/obo/PROCO_0000086 process validation fate and purge of impurity A process that determines the fate of impurities (organic, inorganic, elemental, or residual solvents) of pharmaceutical substances produced by chemical syntheses to ensure the desired product quality, and the ability of the synthetic route to purge them. http://purl.obolibrary.org/obo/PROCO_0000062 kinetic order http://biomodels.net/SBO/SBO_0000009 kinetic constant order A constant representing the concentration driving force http://purl.obolibrary.org/obo/PROCO_0000076 process environmental factor http://purl.obolibrary.org/obo/PROCO_0000295 process chemistry datum environmental factor A process chemistry datum quantifying the environmental impact of a synthetic reaction, and is computed by the ratio of the total mass of waste generated in the synthetic scheme to the mass of product isolated. http://purl.obolibrary.org/obo/PROCO_0000077 process excellence index http://purl.obolibrary.org/obo/PROCO_0000295 process chemistry datum PEI The process excellence index (PEI) is a measure of process reproducibility where the robustness of the procedure is evaluated in terms of yield and cycle time of various operations. http://purl.obolibrary.org/obo/PROCO_0000078 quality service level http://purl.obolibrary.org/obo/PROCO_0000295 process chemistry datum QSL The quality service level (QSL) is a measure of the reproducibility of the quality of the isolated intermediate or final API, and its calculation involves the ratio of satisfactory quality batches to the total number of batches. A reasonable QSL target is 98 to 100 percent. http://purl.obolibrary.org/obo/PROCO_0000081 route development optimization http://purl.obolibrary.org/obo/PROCO_0000099 route related process process optimization A planned process that is about optimizing a synthetic route. http://purl.obolibrary.org/obo/PROCO_0000105 method of flooding http://purl.obolibrary.org/obo/PROCO_0000233 integral kinetic measurement isolation kinetic method A kinetic determination method to determine the partial order of a reactant by measuring the concentration of that reactant with all other reactants in large excess http://purl.obolibrary.org/obo/PROCO_0000121 cubic unit cell http://purl.obolibrary.org/obo/PROCO_0000120 unit cell isometric unit cell A unit cell that has three perpendicular axes of equal lengths. equivalent to ENM:9000035 http://purl.obolibrary.org/obo/PROCO_0000180 Allihn condenser http://purl.obolibrary.org/obo/PROCO_0000178 condensor reflux condensor A condensor consisting of a jacketed long glass tube with a series of bulbs on the tube to increase the surface area upon which the vapor constituents may condense. http://purl.obolibrary.org/obo/PROCO_0000181 Graham condensor http://purl.obolibrary.org/obo/PROCO_0000178 condensor Inland Revenue condenser A condensor with a coolant-jacketed spiral coil running the length of the condenser serving as the vapor–condensate path, providing more surface area for cooling. http://purl.obolibrary.org/obo/PROCO_0000182 Davies condenser http://purl.obolibrary.org/obo/PROCO_0000178 condensor double surface condenser A condensor with three concentric glass tubes where coolant circulates in both the outer jacket and the central tube to increase the cooling surface, http://purl.obolibrary.org/obo/PROCO_0000189 heating mantle http://purl.obolibrary.org/obo/PROCO_0000188 environmental control device isomantel An environmental control device used to apply heat directly to containers. http://purl.obolibrary.org/obo/PROCO_0000196 laboratory notebook http://purl.obolibrary.org/obo/IAO_0000310 document lab notebook A document that is a primary record of research used to document their hypotheses, experiments and initial analysis or interpretation of these experiments serving as an organizational tool, a memory aid, and can also have a role in protecting any intellectual property that comes from the research. http://purl.obolibrary.org/obo/PROCO_0000200 flocculant http://purl.obolibrary.org/obo/CHEBI_51086 chemical role clarifying agent A synthesis role used to remove suspended solids from liquids by inducing flocculation (the solids begin to aggregate forming flakes, which either precipitate to the bottom or float to the surface of the liquid, and then they can be removed or collected). Flocculants, or flocculating agents (also known as flocking agents), are chemicals that promote flocculation by causing colloids and other suspended particles in liquids to aggregate, forming a floc. http://purl.obolibrary.org/obo/PROCO_0000225 rate equation http://purl.obolibrary.org/obo/PROCO_0000006 equation rate law An equation that links the initial or forward reaction rate with the molar concentrations or pressures of the reactants and constant parameters (normally rate coefficients and partial reaction orders). http://purl.obolibrary.org/obo/PROCO_0000226 Reaction Progress Kinetic Analysis http://purl.obolibrary.org/obo/PROCO_0000085 mechanistic and kinetic determination RPKA Mechanistic and kinetic determinations utilized to determine the rate laws of chemical reactions and to aid in elucidation of reaction mechanisms. While the concepts guiding reaction progress kinetic analysis are not new, the process was formalized by Professor Donna Blackmond (currently at Scripps Research Institute) in the late 1990s and has since seen increasingly widespread use. Unlike more common pseudo-first-order analysis, in which an overwhelming excess of one or more reagents is used relative to a species of interest, RPKA probes reactions at synthetically relevant conditions (i.e. with concentrations and reagent ratios resembling those used in the reaction when not exploring the rate law.) Generally, this analysis involves a system in which the concentrations of multiple reactants are changing measurably over the course of the reaction. As the mechanism can vary depending on the relative and absolute concentrations of the species involved, this approach obtains results that are much more representative of reaction behavior under commonly utilized conditions than do traditional tactics. Furthermore, information obtained by observation of the reaction over time may provide insight regarding unexpected behavior such as induction periods, catalyst deactivation, or changes in mechanism. http://purl.obolibrary.org/obo/PROCO_0000227 process analytical technology http://purl.obolibrary.org/obo/PROCO_0000093 process chemistry workflow plan PAT A process chemistry workflow plan that utilizes online and at-line measurements to understand chemical processes by defining and monitoring ... http://purl.obolibrary.org/obo/PROCO_0000228 steady-state approximation analysis http://purl.obolibrary.org/obo/PROCO_0000085 mechanistic and kinetic determination stationary-state approximation A mechanistic and kinetic determination that involves setting the rate of change of a reaction intermediate in a reaction mechanism equal to zero so that the kinetic equations can be simplified by setting the rate of formation of the intermediate equal to the rate of its destruction. http://purl.obolibrary.org/obo/PROCO_0000229 partial rate order http://purl.obolibrary.org/obo/PROCO_0000062 kinetic order Reactant order The exponent terms within the rate equation. For elementary (single step) reactions, the reactant order is equal to the stoichiometric coefficient of the reactant. http://purl.obolibrary.org/obo/PROCO_0000282 batch manufacturing record http://purl.obolibrary.org/obo/IAO_0000310 document batch sheet A document that contemporaneously records when, how, by whom each step to produce a specific batch is executed as well as the specific equipment and the specific materials including exact weights and lot numbers. http://purl.obolibrary.org/obo/PROCO_0000283 master formula record http://purl.obolibrary.org/obo/PROCO_0000093 process chemistry workflow plan master production record A plan specification of manufacturing instructions for a specific (unique) batch and includes: specific instructions for each step, the equipment used in each step, sampling and testing procedures for each step, the amount of each component needed to manufacture the batch (Bill of Materials) and the theoretical yield and expected yield of each intermediate as well as the product. . http://purl.obolibrary.org/obo/PROCO_0000284 bill of materials http://purl.obolibrary.org/obo/IAO_0000310 document bill of material A document that lists the raw materials, sub-assemblies, intermediate assemblies, sub-components, parts, and the quantities of each needed to manufacture an end product. http://purl.obolibrary.org/obo/PROCO_0000303 pre-exponential factor http://biomodels.net/SBO/SBO_0000009 kinetic constant A factor The pre-exponential factor or A factor is the pre-exponential constant in the Arrhenius equation, an empirical relationship between temperature and rate coefficient. It is usually designated by A when determined from experiment, while Z is usually left for collision frequency. http://purl.obolibrary.org/obo/CHEBI_138103 inorganic acid http://purl.obolibrary.org/obo/CHEBI_39141 Bronsted acid A Bronsted acid derived from one or more inorganic compounds. Inorganic acids (also known as mineral acids) form hydrons and conjugate base ions when dissolved in water. http://purl.obolibrary.org/obo/OBI_0002488 pipette http://purl.obolibrary.org/obo/OBI_0000968 device A device that is a laboratory tool commonly used in chemistry, biology and medicine to transport a measured volume of liquid, often as a media dispenser. http://purl.obolibrary.org/obo/CHEBI_25698 ether http://purl.obolibrary.org/obo/CHEBI_36963 organooxygen compound An organooxygen compound with formula ROR, where R is not hydrogen. http://purl.obolibrary.org/obo/CHEBI_27024 toluenes http://purl.obolibrary.org/obo/CHEBI_22712 benzenes Any member of the class of benzenes that is a substituted benzene in which the substituents include one (and only one) methyl group. http://purl.obolibrary.org/obo/CHEBI_33822 organic hydroxy compound http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity An organic compound having at least one hydroxy group attached to a carbon atom. http://purl.obolibrary.org/obo/CHEBI_51867 methyl ketone http://purl.obolibrary.org/obo/CHEBI_17087 ketone A ketone of formula RC(=O)CH3 (R =/= H). http://purl.obolibrary.org/obo/CHEBI_5686 heterocyclic compound http://purl.obolibrary.org/obo/CHEBI_33595 cyclic compound A cyclic compound having as ring members atoms of at least two different elements. http://purl.obolibrary.org/obo/CHEBI_22951 butanone http://purl.obolibrary.org/obo/CHEBI_17087 ketone Any ketone that is butane substituted by an oxo group at unspecified position. http://purl.obolibrary.org/obo/CHEBI_74783 astringent http://purl.obolibrary.org/obo/CHEBI_23888 drug A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions. http://purl.obolibrary.org/obo/CHEBI_13193 hydrogen acceptor http://purl.obolibrary.org/obo/CHEBI_17654 electron acceptor A molecular entity that can undergo reduction by the gain of hydrogen atom(s). http://purl.obolibrary.org/obo/CHEBI_17499 hydrogen donor http://purl.obolibrary.org/obo/CHEBI_15022 electron donor A molecular entity that can undergo oxidation by the loss of hydrogen atom(s). http://purl.obolibrary.org/obo/CHEBI_17654 electron acceptor http://purl.obolibrary.org/obo/CHEBI_15339 acceptor A substance to which an electron may be transferred. http://purl.obolibrary.org/obo/CHEBI_17824 propan-2-ol http://purl.obolibrary.org/obo/CHEBI_167095 secondary fatty alcohol A secondary alcohol that is propane in which one of the hydrogens attached to the central carbon is substituted by a hydroxy group. http://purl.obolibrary.org/obo/CHEBI_18059 lipid http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity 'Lipids' is a loosely defined term for substances of biological origin that are soluble in nonpolar solvents. They consist of saponifiable lipids, such as glycerides (fats and oils) and phospholipids, as well as nonsaponifiable lipids, principally steroids. http://purl.obolibrary.org/obo/CHEBI_23357 cofactor http://purl.obolibrary.org/obo/CHEBI_52206 biochemical role An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). http://purl.obolibrary.org/obo/CHEBI_24079 formamides http://purl.obolibrary.org/obo/CHEBI_37622 carboxamide Amides with the general formula R(1)R(2)NCHO (R(1) and R(2) can be H). http://purl.obolibrary.org/obo/CHEBI_24833 oxoacid http://purl.obolibrary.org/obo/CHEBI_24651 hydroxides A compound which contains oxygen, at least one other element, and at least one hydrogen bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). http://purl.obolibrary.org/obo/CHEBI_25367 molecule http://purl.obolibrary.org/obo/CHEBI_36357 polyatomic entity Any polyatomic entity that is an electrically neutral entity consisting of more than one atom. http://purl.obolibrary.org/obo/CHEBI_25696 organic anion http://purl.obolibrary.org/obo/CHEBI_25699 organic ion Any organic ion with a net negative charge. http://purl.obolibrary.org/obo/CHEBI_2571 aliphatic alcohol http://purl.obolibrary.org/obo/CHEBI_30879 alcohol An alcohol derived from an aliphatic compound. http://purl.obolibrary.org/obo/CHEBI_27780 detergent http://purl.obolibrary.org/obo/CHEBI_33232 application A surfactant (or a mixture containing one or more surfactants) having cleaning properties in dilute solutions. http://purl.obolibrary.org/obo/CHEBI_29067 carboxylic acid anion http://purl.obolibrary.org/obo/CHEBI_35406 oxoanion The conjugate base formed when the carboxy group of a carboxylic acid is deprotonated. http://purl.obolibrary.org/obo/CHEBI_33247 organic group http://purl.obolibrary.org/obo/CHEBI_24433 group Any substituent group or skeleton containing carbon. http://purl.obolibrary.org/obo/CHEBI_33893 reagent http://purl.obolibrary.org/obo/CHEBI_33232 application A substance used in a chemical reaction to detect, measure, examine, or produce other substances. http://purl.obolibrary.org/obo/CHEBI_35195 surfactant http://purl.obolibrary.org/obo/CHEBI_63046 emulsifier A substance which lowers the surface tension of the medium in which it is dissolved, and/or the interfacial tension with other phases, and, accordingly, is positively adsorbed at the liquid/vapour and/or at other interfaces. http://purl.obolibrary.org/obo/CHEBI_35222 inhibitor http://purl.obolibrary.org/obo/CHEBI_24432 biological role A substance that diminishes the rate of a chemical reaction. http://purl.obolibrary.org/obo/CHEBI_35223 catalyst http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A substance that increases the rate of a reaction without modifying the overall standard Gibbs energy change in the reaction. http://purl.obolibrary.org/obo/CHEBI_35225 buffer http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Any substance or mixture of substances that, in solution (typically aqueous), resists change in pH upon addition of small amounts of acid or base. http://purl.obolibrary.org/obo/CHEBI_36587 organic oxo compound http://purl.obolibrary.org/obo/CHEBI_72695 organic molecule Organic compounds containing an oxygen atom, =O, doubly bonded to carbon or another element. http://purl.obolibrary.org/obo/CHEBI_37407 cyclic ether http://purl.obolibrary.org/obo/CHEBI_38104 oxacycle Any ether in which the oxygen atom forms part of a ring. http://purl.obolibrary.org/obo/CHEBI_38161 chelator http://purl.obolibrary.org/obo/CHEBI_52214 ligand A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. http://purl.obolibrary.org/obo/CHEBI_48356 protic solvent http://purl.obolibrary.org/obo/CHEBI_48354 polar solvent A polar solvent that is capable of acting as a hydron (proton) donor. http://purl.obolibrary.org/obo/CHEBI_48578 radical scavenger http://purl.obolibrary.org/obo/CHEBI_22586 antioxidant A role played by a substance that can react readily with, and thereby eliminate, radicals. http://purl.obolibrary.org/obo/CHEBI_52206 biochemical role http://purl.obolibrary.org/obo/CHEBI_24432 biological role A biological role played by the molecular entity or part thereof within a biochemical context. http://purl.obolibrary.org/obo/CHEBI_52217 pharmaceutical http://purl.obolibrary.org/obo/CHEBI_33232 application Any substance introduced into a living organism with therapeutic or diagnostic purpose. http://purl.obolibrary.org/obo/CHEBI_61697 fatty acid derivative http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity Any organic molecular entity derived from a fatty acid. http://purl.obolibrary.org/obo/CHEBI_64909 poison http://purl.obolibrary.org/obo/CHEBI_24432 biological role Any substance that causes disturbance to organisms by chemical reaction or other activity on the molecular scale, when a sufficient quantity is absorbed by the organism. http://purl.obolibrary.org/obo/CHEBI_65255 food preservative http://purl.obolibrary.org/obo/CHEBI_64047 food additive Substances which are added to food in order to prevent decomposition caused by microbial growth or by undesirable chemical changes. http://purl.obolibrary.org/obo/CHEBI_73335 ultraviolet filter http://purl.obolibrary.org/obo/CHEBI_52215 photochemical role A photochemical role realized in the absorption of ultraviolet light, for example to protect skin cells from damage. http://purl.obolibrary.org/obo/CHEBI_75768 mammalian metabolite http://purl.obolibrary.org/obo/CHEBI_75767 animal metabolite Any animal metabolite produced during a metabolic reaction in mammals. http://purl.obolibrary.org/obo/CHEBI_22221 acyl group http://purl.obolibrary.org/obo/CHEBI_33247 organic group An organic group formed by removing one or more hydroxy groups from an oxoacid that has the general structure RkE(=O)l(OH)m (l =/= 0). Although the term is almost always applied to organic compounds, with carboxylic acid as the oxoacid, acyl groups can in principle be derived from other types of acids such as sulfonic acids or phosphonic acids. http://purl.obolibrary.org/obo/CHEBI_22563 anion http://purl.obolibrary.org/obo/CHEBI_24870 ion A monoatomic or polyatomic species having one or more elementary charges of the electron. http://purl.obolibrary.org/obo/CHEBI_23004 carbamoyl group http://purl.obolibrary.org/obo/CHEBI_27207 univalent carboacyl group The univalent carboacyl group formed by loss of -OH from the carboxy group of carbamic acid. http://purl.obolibrary.org/obo/CHEBI_23367 molecular entity http://purl.obolibrary.org/obo/BFO_0000040 material entity Any constitutionally or isotopically distinct atom, molecule, ion, ion pair, radical, radical ion, complex, conformer etc., identifiable as a separately distinguishable entity. http://purl.obolibrary.org/obo/CHEBI_24431 chemical entity http://purl.obolibrary.org/obo/BFO_0000040 material entity A chemical entity is a physical entity of interest in chemistry including molecular entities, parts thereof, and chemical substances. http://purl.obolibrary.org/obo/CHEBI_24432 biological role http://purl.obolibrary.org/obo/BFO_0000023 role A role played by the molecular entity or part thereof within a biological context. http://purl.obolibrary.org/obo/CHEBI_24532 organic heterocyclic compound http://purl.obolibrary.org/obo/CHEBI_33832 organic cyclic compound A cyclic compound having as ring members atoms of carbon and at least of one other element. http://purl.obolibrary.org/obo/CHEBI_24651 hydroxides http://purl.obolibrary.org/obo/CHEBI_37577 heteroatomic molecular entity Hydroxides are chemical compounds containing a hydroxy group or salts containing hydroxide (OH(-)). http://purl.obolibrary.org/obo/CHEBI_24835 inorganic molecular entity http://purl.obolibrary.org/obo/CHEBI_23367 molecular entity A molecular entity that contains no carbon. http://purl.obolibrary.org/obo/CHEBI_24869 ionophore http://purl.obolibrary.org/obo/CHEBI_38632 membrane transport modulator A compound which can carry specific ions through membranes of cells or organelles. http://purl.obolibrary.org/obo/CHEBI_24870 ion http://purl.obolibrary.org/obo/CHEBI_23367 molecular entity A molecular entity having a net electric charge. http://purl.obolibrary.org/obo/CHEBI_24874 iron ionophore http://purl.obolibrary.org/obo/CHEBI_24869 ionophore Any ionophore capable of transportation of iron ions across membranes. http://purl.obolibrary.org/obo/CHEBI_25741 oxide http://purl.obolibrary.org/obo/CHEBI_37577 heteroatomic molecular entity An oxide is a chemical compound of oxygen with other chemical elements. http://purl.obolibrary.org/obo/CHEBI_28398 butan-2-one http://purl.obolibrary.org/obo/CHEBI_18044 dialkyl ketone A dialkyl ketone that is a four-carbon ketone carrying a single keto- group at position C-2. http://purl.obolibrary.org/obo/CHEBI_32988 amide http://purl.obolibrary.org/obo/CHEBI_51143 nitrogen molecular entity An amide is a derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. http://purl.obolibrary.org/obo/CHEBI_33232 application http://purl.obolibrary.org/obo/BFO_0000023 role Intended use of the molecular entity or part thereof by humans. http://purl.obolibrary.org/obo/CHEBI_33245 organic fundamental parent http://purl.obolibrary.org/obo/CHEBI_37175 organic hydride An organic fundamental parent is a structure used as a basis for substitutive names in organic nomenclature, containing, in addition to one or more hydrogen atoms, a single atom of an element, a number of atoms (alike or different) linked together to form an unbranched chain, a monocyclic or polycyclic ring system, or a ring assembly or ring/chain system. http://purl.obolibrary.org/obo/CHEBI_33250 atom http://purl.obolibrary.org/obo/CHEBI_24431 chemical entity A chemical entity constituting the smallest component of an element having the chemical properties of the element. http://purl.obolibrary.org/obo/CHEBI_33253 nucleon http://purl.obolibrary.org/obo/CHEBI_36347 nuclear particle Heavy nuclear particle: proton or neutron. http://purl.obolibrary.org/obo/CHEBI_33285 heteroorganic entity http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity A heteroorganic entity is an organic molecular entity in which carbon atoms or organic groups are bonded directly to one or more heteroatoms. http://purl.obolibrary.org/obo/CHEBI_33300 pnictogen http://purl.obolibrary.org/obo/CHEBI_33560 p-block element atom Any p-block element atom that is in group 15 of the periodic table: nitrogen, phosphorus, arsenic, antimony and bismuth. http://purl.obolibrary.org/obo/CHEBI_33302 pnictogen molecular entity http://purl.obolibrary.org/obo/CHEBI_33675 p-block molecular entity A p-block molecular entity containing any pnictogen. http://purl.obolibrary.org/obo/CHEBI_33303 chalcogen http://purl.obolibrary.org/obo/CHEBI_33560 p-block element atom Any p-block element belonging to the group 16 family of the periodic table. http://purl.obolibrary.org/obo/CHEBI_33304 chalcogen molecular entity http://purl.obolibrary.org/obo/CHEBI_33675 p-block molecular entity Any p-block molecular entity containing a chalcogen. http://purl.obolibrary.org/obo/CHEBI_33318 main group element atom http://purl.obolibrary.org/obo/CHEBI_33250 atom An atom belonging to one of the main groups (found in the s- and p- blocks) of the periodic table. http://purl.obolibrary.org/obo/CHEBI_33560 p-block element atom http://purl.obolibrary.org/obo/CHEBI_33318 main group element atom Any main group element atom belonging to the p-block of the periodic table. http://purl.obolibrary.org/obo/CHEBI_33598 carbocyclic compound http://purl.obolibrary.org/obo/CHEBI_33597 homocyclic compound A homocyclic compound in which all of the ring members are carbon atoms. http://purl.obolibrary.org/obo/CHEBI_33675 p-block molecular entity http://purl.obolibrary.org/obo/CHEBI_33579 main group molecular entity A main group molecular entity that contains one or more atoms of a p-block element. http://purl.obolibrary.org/obo/CHEBI_33832 organic cyclic compound http://purl.obolibrary.org/obo/CHEBI_33595 cyclic compound Any organic molecule that consists of atoms connected in the form of a ring. http://purl.obolibrary.org/obo/CHEBI_33937 macronutrient http://purl.obolibrary.org/obo/CHEBI_33284 nutrient Any nutrient required in large quantities by organisms throughout their life in order to orchestrate a range of physiological functions. Macronutrients are usually chemical elements (carbon, hydrogen, nitrogen, oxygen, phosphorus and sulfur) that humans consume in the largest quantities. Calcium, sodium, magnesium and potassium are sometimes included as macronutrients because they are required in relatively large quantities compared with other vitamins and minerals. http://purl.obolibrary.org/obo/CHEBI_35406 oxoanion http://purl.obolibrary.org/obo/CHEBI_33273 polyatomic anion An oxoanion is an anion derived from an oxoacid by loss of hydron(s) bound to oxygen. http://purl.obolibrary.org/obo/CHEBI_35942 neurotransmitter agent http://purl.obolibrary.org/obo/CHEBI_52210 pharmacological role A substance used for its pharmacological action on any aspect of neurotransmitter systems. Neurotransmitter agents include agonists, antagonists, degradation inhibitors, uptake inhibitors, depleters, precursors, and modulators of receptor function. http://purl.obolibrary.org/obo/CHEBI_36357 polyatomic entity http://purl.obolibrary.org/obo/CHEBI_23367 molecular entity Any molecular entity consisting of more than one atom. http://purl.obolibrary.org/obo/CHEBI_36358 polyatomic ion http://purl.obolibrary.org/obo/CHEBI_36357 polyatomic entity An ion consisting of more than one atom. http://purl.obolibrary.org/obo/CHEBI_36916 cation http://purl.obolibrary.org/obo/CHEBI_24870 ion A monoatomic or polyatomic species having one or more elementary charges of the proton. http://purl.obolibrary.org/obo/CHEBI_36962 organochalcogen compound http://purl.obolibrary.org/obo/CHEBI_33304 chalcogen molecular entity An organochalcogen compound is a compound containing at least one carbon-chalcogen bond. http://purl.obolibrary.org/obo/CHEBI_37577 heteroatomic molecular entity http://purl.obolibrary.org/obo/CHEBI_36357 polyatomic entity A molecular entity consisting of two or more chemical elements. http://purl.obolibrary.org/obo/CHEBI_37838 carboacyl group http://purl.obolibrary.org/obo/CHEBI_22221 acyl group A carboacyl group is a group formed by loss of at least one OH from the carboxy group of a carboxylic acid. http://purl.obolibrary.org/obo/CHEBI_38155 phytosiderophore http://purl.obolibrary.org/obo/CHEBI_24874 iron ionophore Any of low-molecular-mass iron(III)-chelating compounds produced by plants for the purpose of the transport and sequestration of iron. http://purl.obolibrary.org/obo/CHEBI_38632 membrane transport modulator http://purl.obolibrary.org/obo/CHEBI_52208 biophysical role Any agent that affects the transport of molecular entities across a biological membrane. http://purl.obolibrary.org/obo/CHEBI_39141 Bronsted acid http://purl.obolibrary.org/obo/CHEBI_37527 acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). http://purl.obolibrary.org/obo/CHEBI_51422 organodiyl group http://purl.obolibrary.org/obo/CHEBI_51446 organic divalent group Any organic substituent group, regardless of functional type, having two free valences at carbon atom(s). http://purl.obolibrary.org/obo/CHEBI_52215 photochemical role http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A chemical role played by the molecular entity or part thereof in a photochemical process. http://purl.obolibrary.org/obo/CHEBI_52216 photobiochemical role http://purl.obolibrary.org/obo/CHEBI_52215 photochemical role A role played by a molecular entity or part thereof in a photobiochemical process. http://purl.obolibrary.org/obo/CHEBI_59739 electrophilic reagent http://purl.obolibrary.org/obo/CHEBI_39143 Lewis acid A reagent that forms a bond to its reaction partner (the nucleophile) by accepting both bonding electrons from that reaction partner. http://purl.obolibrary.org/obo/CHEBI_82632 phytochrome chromophore http://purl.obolibrary.org/obo/CHEBI_23240 chromophore A chromophore that is a linear tetrapyrrolic prosthetic group covalently attached to a large soluble protein phytochrome. Light absorption by the phytochrome chromophore triggers photoconversion between two spectrally distinct forms of the photoreceptor: Pr, the red light absorbing form, and Pfr, the far-red light absorbing form. http://purl.obolibrary.org/obo/CHEBI_38828 nonionic surfactant http://purl.obolibrary.org/obo/CHEBI_35195 surfactant A surfactant with an uncharged hydrophilic headgroup. http://purl.obolibrary.org/obo/CHEBI_39011 Good's buffer substance http://purl.obolibrary.org/obo/CHEBI_35225 buffer Any member of a collection of zwitterionic buffer substances selected or devised for suitability in experimental biological systems according to a number of predetermined criteria. Named after Dr. Norman Good. http://purl.obolibrary.org/obo/CHEBI_39142 Bronsted base http://purl.obolibrary.org/obo/CHEBI_22695 base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). http://purl.obolibrary.org/obo/CHEBI_39144 Lewis base http://purl.obolibrary.org/obo/CHEBI_22695 base A molecular entity able to provide a pair of electrons and thus capable of forming a covalent bond with an electron-pair acceptor (Lewis acid), thereby producing a Lewis adduct. http://purl.obolibrary.org/obo/CHEBI_76870 EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor http://purl.obolibrary.org/obo/CHEBI_76736 EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor An EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor that interferes with the action of any such enzyme using oxygen as acceptor (EC 1.9.3.*). http://purl.obolibrary.org/obo/CHEBI_76932 pathway inhibitor http://purl.obolibrary.org/obo/CHEBI_23924 enzyme inhibitor An enzyme inhibitor that interferes with one or more steps in a metabolic pathway. http://purl.obolibrary.org/obo/CHEBI_50907 deaminating agent http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A deaminating agent is a role played by a chemical agent which exhibits the capability of causing the loss of an amine functional group on another molecular entity (e.g. DNA or protein). http://purl.obolibrary.org/obo/CHEBI_52209 aetiopathogenetic role http://purl.obolibrary.org/obo/CHEBI_24432 biological role A role played by the molecular entity or part thereof which causes the development of a pathological process. http://purl.obolibrary.org/obo/CHEBI_63064 crystallisation adjutant http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Chemical role played by a material when used to promote crystallisation. http://purl.obolibrary.org/obo/CHEBI_63908 film-forming compound http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Any compound that leaves a pliable, cohesive, and continuous covering over a surface when applied to it. http://purl.obolibrary.org/obo/CHEBI_70982 reactive oxygen species generator http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Any entity used to generate reactive oxygen species. http://purl.obolibrary.org/obo/PATO_0000001 quality http://purl.obolibrary.org/obo/BFO_0000019 quality A dependent entity that inheres in a bearer by virtue of how the bearer is related to other entities http://purl.obolibrary.org/obo/PATO_0000033 concentration of http://purl.obolibrary.org/obo/PATO_0002182 molecular quality A quality inhering in a substance by virtue of the amount of the bearer's there is mixed with another substance. http://purl.obolibrary.org/obo/PATO_0000051 morphology http://purl.obolibrary.org/obo/BFO_0000019 quality A quality of a single physical entity inhering in the bearer by virtue of the bearer's size or shape or structure. http://purl.obolibrary.org/obo/PATO_0000965 symmetry http://purl.obolibrary.org/obo/PATO_0000051 morphology A pattern quality of inhering in a bearer by virtue of the correspondence in size, shape, and relative position of the bearer's parts on opposite sides of a dividing line or median plane or about a center or axis. http://purl.obolibrary.org/obo/PATO_0001536 solubility http://purl.obolibrary.org/obo/PATO_0002182 molecular quality A molecular quality that inheres in a molecular entity by virtue of the bearer's disposition to dissolve in a liquid. http://purl.obolibrary.org/obo/PATO_0001574 flow rate http://purl.obolibrary.org/obo/PATO_0000001 quality A physical quality inhering in a bearer by virtue of the bearer's motion characteristic. http://purl.obolibrary.org/obo/PATO_0002182 molecular quality http://purl.obolibrary.org/obo/PATO_0000001 quality A quality which inheres in a molecular entity, a single molecule, atom, ion, radical etc. http://purl.obolibrary.org/obo/BFO_0000002 continuant http://purl.obolibrary.org/obo/BFO_0000001 entity An entity that exists in full at any time in which it exists at all, persists through time while maintaining its identity and has no temporal parts. http://purl.obolibrary.org/obo/BFO_0000003 occurrent http://purl.obolibrary.org/obo/BFO_0000001 entity An entity that has temporal parts and that happens, unfolds or develops through time. http://purl.obolibrary.org/obo/BFO_0000004 independent continuant http://purl.obolibrary.org/obo/BFO_0000002 continuant A continuant that is a bearer of quality and realizable entity entities, in which other entities inhere and which itself cannot inhere in anything. http://purl.obolibrary.org/obo/BFO_0000015 process http://purl.obolibrary.org/obo/BFO_0000003 occurrent An occurrent that has temporal proper parts and for some time t, p s-depends_on some material entity at t. http://purl.obolibrary.org/obo/BFO_0000017 realizable entity http://purl.obolibrary.org/obo/BFO_0000020 specifically dependent continuant A specifically dependent continuant that inheres in continuant entities and are not exhibited in full at every time in which it inheres in an entity or group of entities. The exhibition or actualization of a realizable entity is a particular manifestation, functioning or process that occurs under certain circumstances. http://purl.obolibrary.org/obo/BFO_0000020 specifically dependent continuant http://purl.obolibrary.org/obo/BFO_0000002 continuant b is a relational specifically dependent continuant = Def. b is a specifically dependent continuant and there are n > 1 independent continuants c1, … cn which are not spatial regions are such that for all 1 i < j n, ci and cj share no common parts, are such that for each 1 i n, b s-depends_on ci at every time t during the course of b’s existence (axiom label in BFO2 Reference: [131-004]) http://purl.obolibrary.org/obo/BFO_0000023 role http://purl.obolibrary.org/obo/BFO_0000017 realizable entity A realizable entity the manifestation of which brings about some result or end that is not essential to a continuant in virtue of the kind of thing that it is but that can be served or participated in by that kind of continuant in some kinds of natural, social or institutional contexts. http://purl.obolibrary.org/obo/BFO_0000031 generically dependent continuant http://purl.obolibrary.org/obo/BFO_0000002 continuant A continuant that is dependent on one or other independent continuant bearers. For every instance of A requires some instance of (an independent continuant type) B but which instance of B serves can change from time to time. http://purl.obolibrary.org/obo/BFO_0000035 process boundary http://purl.obolibrary.org/obo/BFO_0000003 occurrent p is a process boundary =Def. p is a temporal part of a process & p has no proper temporal parts. (axiom label in BFO2 Reference: [084-001]) http://purl.obolibrary.org/obo/BFO_0000040 material entity http://purl.obolibrary.org/obo/BFO_0000004 independent continuant An independent continuant that is spatially extended whose identity is independent of that of other entities and can be maintained through time. http://purl.obolibrary.org/obo/BFO_0000144 process profile http://purl.obolibrary.org/obo/BFO_0000015 process b is a process_profile =Def. there is some process c such that b process_profile_of c (axiom label in BFO2 Reference: [093-002]) http://purl.obolibrary.org/obo/IAO_0000003 measurement unit label http://purl.obolibrary.org/obo/IAO_0000009 datum label A measurement unit label is as a label that is part of a scalar measurement datum and denotes a unit of measure. http://purl.obolibrary.org/obo/IAO_0000007 action specification http://purl.obolibrary.org/obo/IAO_0000033 directive information entity A directive information entity that describes an action the bearer will take. http://purl.obolibrary.org/obo/IAO_0000009 datum label http://purl.obolibrary.org/obo/IAO_0000030 information content entity A label is a symbol that is part of some other datum and is used to either partially define the denotation of that datum or to provide a means for identifying the datum as a member of the set of data with the same label http://purl.obolibrary.org/obo/IAO_0000028 symbol http://purl.obolibrary.org/obo/IAO_0000030 information content entity An information content entity that is a mark(s) or character(s) used as a conventional representation of another entity. http://purl.obolibrary.org/obo/IAO_0000030 information content entity http://purl.obolibrary.org/obo/BFO_0000031 generically dependent continuant A generically dependent continuant that is about some thing. http://purl.obolibrary.org/obo/IAO_0000032 scalar measurement datum http://purl.obolibrary.org/obo/IAO_0000109 measurement datum A scalar measurement datum is a measurement datum that is composed of two parts, numerals and a unit label. http://purl.obolibrary.org/obo/IAO_0000033 directive information entity http://purl.obolibrary.org/obo/IAO_0000030 information content entity An information content entity whose concretizations indicate to their bearer how to realize them in a process. http://purl.obolibrary.org/obo/IAO_0000064 algorithm http://purl.obolibrary.org/obo/IAO_0000104 plan specification A plan specification which describes the inputs and output of mathematical functions as well as workflow of execution for achieving an predefined objective. Algorithms are realized usually by means of implementation as computer programs for execution by automata. http://purl.obolibrary.org/obo/IAO_0000078 curation status specification http://purl.obolibrary.org/obo/IAO_0000102 data about an ontology part The curation status of the term. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. http://purl.obolibrary.org/obo/IAO_0000100 data set http://purl.obolibrary.org/obo/IAO_0000027 data item A data item that is an aggregate of other data items of the same type that have something in common. Averages and distributions can be determined for data sets. http://purl.obolibrary.org/obo/IAO_0000102 data about an ontology part http://purl.obolibrary.org/obo/IAO_0000027 data item Data about an ontology part is a data item about a part of an ontology, for example a term http://purl.obolibrary.org/obo/IAO_0000104 plan specification http://purl.obolibrary.org/obo/IAO_0000033 directive information entity A directive information entity with action specifications and objective specifications as parts that, when concretized, is realized in a process in which the bearer tries to achieve the objectives by taking the actions specified. http://purl.obolibrary.org/obo/IAO_0000109 measurement datum http://purl.obolibrary.org/obo/IAO_0000027 data item A measurement datum is an information content entity that is a recording of the output of a measurement such as produced by a device. http://purl.obolibrary.org/obo/IAO_0000225 obsolescence reason specification http://purl.obolibrary.org/obo/IAO_0000102 data about an ontology part The reason for which a term has been deprecated. The allowed values come from an enumerated list of predefined terms. See the specification of these instances for more detailed definitions of each enumerated value. http://purl.obolibrary.org/obo/IAO_0000310 document http://purl.obolibrary.org/obo/IAO_0000030 information content entity A collection of information content entities intended to be understood together as a whole http://purl.obolibrary.org/obo/IAO_0000314 document part http://purl.obolibrary.org/obo/IAO_0000030 information content entity An information content entity that is part of a document. http://purl.obolibrary.org/obo/IAO_0000572 documenting http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process in which a document is created or added to by including the specified input in it. http://purl.obolibrary.org/obo/IAO_0000590 written name http://purl.obolibrary.org/obo/IAO_0000300 textual entity A textual entity that denotes a particular in reality. http://purl.obolibrary.org/obo/OBI_0000011 planned process http://purl.obolibrary.org/obo/BFO_0000015 process A process that realizes a plan which is the concretization of a plan specification. http://purl.obolibrary.org/obo/OBI_0000047 processed material http://purl.obolibrary.org/obo/BFO_0000040 material entity Is a material entity that is created or changed during material processing. http://purl.obolibrary.org/obo/OBI_0000066 investigation http://purl.obolibrary.org/obo/OBI_0000011 planned process a planned process that consists of parts: planning, study design execution, documentation and which produce conclusion(s). http://purl.obolibrary.org/obo/OBI_0000067 evaluant role http://purl.obolibrary.org/obo/BFO_0000023 role a role that inheres in a material entity that is realized in an assay in which data is generated about the bearer of the evaluant role http://purl.obolibrary.org/obo/OBI_0000272 protocol http://purl.obolibrary.org/obo/IAO_0000104 plan specification A plan specification which has sufficient level of detail and quantitative information to communicate it between investigation agents, so that different investigation agents will reliably be able to independently reproduce the process. http://purl.obolibrary.org/obo/OBI_0000338 drawing a conclusion based on data http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process in which data gathered in an investigation is evaluated in the context of existing knowledge with the objective to generate more general conclusions or to conclude that the data does not allow one to draw general conclusion http://purl.obolibrary.org/obo/OBI_0000339 planning http://purl.obolibrary.org/obo/BFO_0000015 process a process of creating or modifying a plan specification http://purl.obolibrary.org/obo/OBI_0000376 synthesizing function http://purl.obolibrary.org/obo/BFO_0000034 function A synthesizing function is a function to assemble new output materials from distinct input materials. The output materials typically consist of chemically distinct monomeric objects or object aggregate polymers. http://purl.obolibrary.org/obo/OBI_0000406 PCR product http://purl.obolibrary.org/obo/CHEBI_4705 double-stranded DNA is double stranded DNA that is the specified output of a polymerase chain reaction http://purl.obolibrary.org/obo/OBI_0000409 nucleic acid template role http://purl.obolibrary.org/obo/OBI_0000025 reference substance role a reference substance role which inheres in nucleic acid material entity and is realized in the process of using the nucleic acid bearing the template role as a reference during synthesis of a reverse copy. http://purl.obolibrary.org/obo/OBI_0000427 enzyme http://purl.obolibrary.org/obo/BFO_0000040 material entity (protein or rna) or has_part (protein or rna) and has_function some GO:0003824 (catalytic activity) http://purl.obolibrary.org/obo/OBI_0000441 assay objective http://purl.obolibrary.org/obo/IAO_0000005 objective specification an objective specification to determine a specified type of information about an evaluated entity (the material entity bearing evaluant role) http://purl.obolibrary.org/obo/OBI_0000471 study design execution http://purl.obolibrary.org/obo/OBI_0000011 planned process a planned process that carries out a study design http://purl.obolibrary.org/obo/OBI_0000656 data set of predicted values according to fitted curve http://purl.obolibrary.org/obo/IAO_0000100 data set A data set which is the output of a curve fitting data transformation in which the aim is to find a curve which matches a series of data points and possibly other constraints. http://purl.obolibrary.org/obo/OBI_0000796 purification objective http://purl.obolibrary.org/obo/IAO_0000005 objective specification The objective to separate a material entity into different compositions of which one or more have are purified fractions that contain higher concentration of a desired component, while others contain impurities and are not of interest. http://purl.obolibrary.org/obo/OBI_0000809 amplified DNA http://purl.obolibrary.org/obo/CHEBI_16991 deoxyribonucleic acid DNA that has been produced in an enzymatic amplification process http://purl.obolibrary.org/obo/OBI_0001554 rate measurement datum http://purl.obolibrary.org/obo/IAO_0000032 scalar measurement datum A scalar measurement datum that represents the number of events occuring over a time interval http://purl.obolibrary.org/obo/OBI_0001909 conclusion based on data http://purl.obolibrary.org/obo/IAO_0000030 information content entity An information content entity that is inferred from data. http://purl.obolibrary.org/obo/OBI_0001931 scalar value specification http://purl.obolibrary.org/obo/OBI_0001933 value specification A value specification that consists of two parts: a numeral and a unit label http://purl.obolibrary.org/obo/OBI_0001933 value specification http://purl.obolibrary.org/obo/IAO_0000030 information content entity An information content entity that specifies a value within a classification scheme or on a quantitative scale. http://purl.obolibrary.org/obo/OBI_0200072 curve fitting data transformation http://purl.obolibrary.org/obo/OBI_0200000 data transformation A curve fitting is a data transformation that has objective curve fitting and that consists of finding a curve which matches a series of data points and possibly other constraints. http://purl.obolibrary.org/obo/OBI_0200166 data transformation objective http://purl.obolibrary.org/obo/IAO_0000005 objective specification An objective specification to transformation input data into output data http://purl.obolibrary.org/obo/OBI_0200174 curve fitting objective http://purl.obolibrary.org/obo/OBI_0200166 data transformation objective A curve fitting objective is a data transformation objective in which the aim is to find a curve which matches a series of data points and possibly other constraints. http://purl.obolibrary.org/obo/OBI_0302886 centrifugation http://purl.obolibrary.org/obo/OBI_0600014 material component separation A process separating molecules by size or density using centrifugal forces generated by a spinning rotor. G-forces of several hundred thousand times gravity are generated in ultracentrifugation. http://purl.obolibrary.org/obo/OBI_0302888 washing http://purl.obolibrary.org/obo/CHMO_0002742 elution Washing is a process by which a material entity acting as contaminant (e.g. excess staining reagent) is removed by application of one or more cycles of solution in flow. http://purl.obolibrary.org/obo/OBI_0600014 material component separation http://purl.obolibrary.org/obo/OBI_0000094 material processing A material processing in which components of an input material become segregated in space. http://purl.obolibrary.org/obo/OBI_0600058 enzymatic amplification http://purl.obolibrary.org/obo/OBI_0000094 material processing the use of enzymes to increase the number of molecules of a biomaterial http://purl.obolibrary.org/obo/PATO_0000122 length http://purl.obolibrary.org/obo/PATO_0000051 morphology A 1-D extent quality which is equal to the distance between two points. http://purl.obolibrary.org/obo/PATO_0000125 mass http://purl.obolibrary.org/obo/PATO_0000001 quality A physical quality that inheres in a bearer by virtue of the proportion of the bearer's amount of matter. http://purl.obolibrary.org/obo/PR_000000001 protein http://purl.obolibrary.org/obo/CHEBI_16670 peptide An amino acid chain that is produced de novo by ribosome-mediated translation of a genetically-encoded mRNA, and any derivatives thereof. http://purl.obolibrary.org/obo/IAO_0020000 identifier http://purl.obolibrary.org/obo/IAO_0000030 information content entity An identifier is an information content entity that is the outcome of a dubbing process and is used to refer to one instance of entity shared by a group of people to refer to that individual entity. http://purl.obolibrary.org/obo/CHEBI_26912 oxolanes http://purl.obolibrary.org/obo/CHEBI_38104 oxacycle Any oxacycle having an oxolane (tetrahydrofuran) skeleton. http://purl.obolibrary.org/obo/CHEBI_35757 monocarboxylic acid anion http://purl.obolibrary.org/obo/CHEBI_29067 carboxylic acid anion A carboxylic acid anion formed when the carboxy group of a monocarboxylic acid is deprotonated. http://purl.obolibrary.org/obo/CHEBI_64708 one-carbon compound http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity An organic molecular entity containing a single carbon atom (C1). http://purl.obolibrary.org/obo/CHEBI_75772 Saccharomyces cerevisiae metabolite http://purl.obolibrary.org/obo/CHEBI_76946 fungal metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae). http://purl.obolibrary.org/obo/CHEBI_50047 organic amino compound http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity A compound formally derived from ammonia by replacing one, two or three hydrogen atoms by organyl groups. http://purl.obolibrary.org/obo/CHEBI_134179 volatile organic compound http://purl.obolibrary.org/obo/CHEBI_72695 organic molecule Any organic compound having an initial boiling point less than or equal to 250 degreeC (482 degreeF) measured at a standard atmospheric pressure of 101.3 kPa. http://purl.obolibrary.org/obo/CHEBI_15022 electron donor http://purl.obolibrary.org/obo/CHEBI_17891 donor A molecular entity that can transfer an electron to another molecular entity. http://purl.obolibrary.org/obo/CHEBI_15339 acceptor http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A molecular entity that can accept an electron, a pair of electrons, an atom or a group from another molecular entity. http://purl.obolibrary.org/obo/CHEBI_15347 acetone http://purl.obolibrary.org/obo/CHEBI_73693 ketone body A methyl ketone that consists of propane bearing an oxo group at C2. http://purl.obolibrary.org/obo/CHEBI_15740 formate http://purl.obolibrary.org/obo/CHEBI_35757 monocarboxylic acid anion A monocarboxylic acid anion that is the conjugate base of formic acid. Induces severe metabolic acidosis and ocular injury in human subjects. http://purl.obolibrary.org/obo/CHEBI_16134 ammonia http://purl.obolibrary.org/obo/CHEBI_138675 gas molecular entity An azane that consists of a single nitrogen atom covelently bonded to three hydrogen atoms. http://purl.obolibrary.org/obo/CHEBI_16397 formamide http://purl.obolibrary.org/obo/CHEBI_29347 monocarboxylic acid amide The simplest monocarboxylic acid amide, obtained by formal condensation of formic acid with ammonia. The parent of the class of formaldehydes. http://purl.obolibrary.org/obo/CHEBI_16716 benzene http://purl.obolibrary.org/obo/CHEBI_33842 aromatic annulene A six-carbon aromatic annulene in which each carbon atom donates one of its two 2p electrons into a delocalised pi system. A toxic, flammable liquid byproduct of coal distillation, it is used as an industrial solvent. Benzene is a carcinogen that also damages bone marrow and the central nervous system. http://purl.obolibrary.org/obo/CHEBI_16991 deoxyribonucleic acid http://purl.obolibrary.org/obo/CHEBI_33696 nucleic acid High molecular weight, linear polymers, composed of nucleotides containing deoxyribose and linked by phosphodiester bonds; DNA contain the genetic information of organisms. http://purl.obolibrary.org/obo/CHEBI_17514 cyanide http://purl.obolibrary.org/obo/CHEBI_36828 pseudohalide anion A pseudohalide anion that is the conjugate base of hydrogen cyanide. http://purl.obolibrary.org/obo/CHEBI_17578 toluene http://purl.obolibrary.org/obo/CHEBI_38975 methylbenzene The simplest member of the class toluenes consisting of a benzene core which bears a single methyl substituent. http://purl.obolibrary.org/obo/CHEBI_17790 methanol http://purl.obolibrary.org/obo/CHEBI_15734 primary alcohol The primary alcohol that is the simplest aliphatic alcohol, comprising a methyl and an alcohol group. http://purl.obolibrary.org/obo/CHEBI_17891 donor http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A molecular entity that can transfer ("donate") an electron, a pair of electrons, an atom or a group to another molecular entity. http://purl.obolibrary.org/obo/CHEBI_18407 hydrogen cyanide http://purl.obolibrary.org/obo/CHEBI_33405 hydracid A one-carbon compound consisting of a methine group triple bonded to a nitrogen atom http://purl.obolibrary.org/obo/CHEBI_23888 drug http://purl.obolibrary.org/obo/CHEBI_52217 pharmaceutical Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances. http://purl.obolibrary.org/obo/CHEBI_23924 enzyme inhibitor http://purl.obolibrary.org/obo/CHEBI_52206 biochemical role A compound or agent that combines with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. http://purl.obolibrary.org/obo/CHEBI_24433 group http://purl.obolibrary.org/obo/CHEBI_24431 chemical entity A defined linked collection of atoms or a single atom within a molecular entity. http://purl.obolibrary.org/obo/CHEBI_26292 propanones http://purl.obolibrary.org/obo/CHEBI_17087 ketone A ketone that is propane carrying at least one oxo substituent. http://purl.obolibrary.org/obo/CHEBI_26672 siderophore http://purl.obolibrary.org/obo/CHEBI_24874 iron ionophore Any of low-molecular-mass iron(III)-chelating compounds produced by microorganisms for the purpose of the transport and sequestration of iron. http://purl.obolibrary.org/obo/CHEBI_27207 univalent carboacyl group http://purl.obolibrary.org/obo/CHEBI_37838 carboacyl group A univalent carboacyl group is a group formed by loss of OH from the carboxy group of a carboxylic acid. http://purl.obolibrary.org/obo/CHEBI_28616 carbamic acid http://purl.obolibrary.org/obo/CHEBI_35605 carbon oxoacid A one-carbon compound that is ammonia in which one of the hydrogens is replaced by a carboxy group. Although carbamic acid derivatives are common, carbamic acid itself has never been synthesised. http://purl.obolibrary.org/obo/CHEBI_28868 fatty acid anion http://purl.obolibrary.org/obo/CHEBI_35757 monocarboxylic acid anion The conjugate base of a fatty acid, arising from deprotonation of the carboxylic acid group of the corresponding fatty acid. http://purl.obolibrary.org/obo/CHEBI_30879 alcohol http://purl.obolibrary.org/obo/CHEBI_33822 organic hydroxy compound A compound in which a hydroxy group, -OH, is attached to a saturated carbon atom. http://purl.obolibrary.org/obo/CHEBI_33249 organyl group http://purl.obolibrary.org/obo/CHEBI_51447 organic univalent group Any organic substituent group, regardless of functional type, having one free valence at a carbon atom. http://purl.obolibrary.org/obo/CHEBI_33252 atomic nucleus http://purl.obolibrary.org/obo/CHEBI_36347 nuclear particle A nucleus is the positively charged central portion of an atom, excluding the orbital electrons. http://purl.obolibrary.org/obo/CHEBI_33284 nutrient http://purl.obolibrary.org/obo/CHEBI_78295 food component A nutrient is a food component that an organism uses to survive and grow. http://purl.obolibrary.org/obo/CHEBI_33696 nucleic acid http://purl.obolibrary.org/obo/CHEBI_33839 macromolecule A macromolecule made up of nucleotide units and hydrolysable into certain pyrimidine or purine bases (usually adenine, cytosine, guanine, thymine, uracil), D-ribose or 2-deoxy-D-ribose and phosphoric acid. http://purl.obolibrary.org/obo/CHEBI_33709 amino acid http://purl.obolibrary.org/obo/CHEBI_33575 carboxylic acid A carboxylic acid containing one or more amino groups. http://purl.obolibrary.org/obo/CHEBI_35107 azane http://purl.obolibrary.org/obo/CHEBI_35106 nitrogen hydride Saturated acyclic nitrogen hydrides having the general formula NnHn+2. http://purl.obolibrary.org/obo/CHEBI_37527 acid http://purl.obolibrary.org/obo/CHEBI_51086 chemical role An acid is a molecular entity capable of donating a hydron (Bronsted acid) or capable of forming a covalent bond with an electron pair (Lewis acid). http://purl.obolibrary.org/obo/CHEBI_48358 polar aprotic solvent http://purl.obolibrary.org/obo/CHEBI_48357 aprotic solvent A solvent with a comparatively high relative permittivity (or dielectric constant), greater than ca. 15, and a sizable permanent dipole moment, that cannot donate suitably labile hydrogen atoms to form strong hydrogen bonds. http://purl.obolibrary.org/obo/CHEBI_48360 amphiprotic solvent http://purl.obolibrary.org/obo/CHEBI_48359 protophilic solvent Self-ionizing solvent possessing both characteristics of Bronsted acids and bases. http://purl.obolibrary.org/obo/CHEBI_50566 nitric oxide donor http://purl.obolibrary.org/obo/CHEBI_17891 donor An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide. http://purl.obolibrary.org/obo/CHEBI_50910 neurotoxin http://purl.obolibrary.org/obo/CHEBI_52209 aetiopathogenetic role A poison that interferes with the functions of the nervous system. http://purl.obolibrary.org/obo/CHEBI_51086 chemical role http://purl.obolibrary.org/obo/BFO_0000023 role A role played by the molecular entity or part thereof within a chemical context. http://purl.obolibrary.org/obo/CHEBI_53431 chain carrier http://purl.obolibrary.org/obo/CHEBI_51086 chemical role The role played by a molecular entity, such as an atom or free radical, which is involved in chain-propagating reactions. http://purl.obolibrary.org/obo/CHEBI_59740 nucleophilic reagent http://purl.obolibrary.org/obo/CHEBI_39144 Lewis base A reagent that forms a bond to its reaction partner (the electrophile) by donating both bonding electrons. http://purl.obolibrary.org/obo/CHEBI_60242 monovalent inorganic cation http://purl.obolibrary.org/obo/CHEBI_36915 inorganic cation An atom or small molecule with a positive charge that does not contain carbon in covalent linkage, with a valency of one. http://purl.obolibrary.org/obo/CHEBI_62049 acyl donor http://purl.obolibrary.org/obo/CHEBI_17891 donor Any donor that can transfer acyl groups between molecular entities. http://purl.obolibrary.org/obo/CHEBI_63248 oxidising agent http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A substance that removes electrons from another reactant in a redox reaction. http://purl.obolibrary.org/obo/CHEBI_72695 organic molecule http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity Any molecule that consists of at least one carbon atom as part of the electrically neutral entity. http://purl.obolibrary.org/obo/CHEBI_73693 ketone body http://purl.obolibrary.org/obo/CHEBI_36586 carbonyl compound A carbonyl compound produced as a water-soluble byproduct when fatty acids are broken down for energy in the liver. There are three endogenous ketone bodies: acetone, acetoacetic acid, and (R)-3-hydroxybutyric acid; others may be produced as a result of the metabolism of synthetic triglycerides. http://purl.obolibrary.org/obo/CHEBI_76413 greenhouse gas http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A gas in an atmosphere that absorbs and emits radiation within the thermal infrared range, so contributing to the 'greenhouse effect'. http://purl.obolibrary.org/obo/CHEBI_76807 EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor http://purl.obolibrary.org/obo/CHEBI_76764 EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor An EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor that interferes with the action of any non-peptide linear amide C-N hydrolase (EC 3.5.1.*). http://purl.obolibrary.org/obo/CHEBI_77523 Maillard reaction product http://purl.obolibrary.org/obo/CHEBI_77521 thermal degradation product Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products). http://purl.obolibrary.org/obo/CHEBI_77853 persistent organic pollutant http://purl.obolibrary.org/obo/CHEBI_78298 environmental contaminant Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. http://purl.obolibrary.org/obo/CHEBI_77941 EC 3.5.1.4 (amidase) inhibitor http://purl.obolibrary.org/obo/CHEBI_76807 EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the action of amidase (EC 3.5.1.4). http://purl.obolibrary.org/obo/CHEBI_79388 divalent inorganic anion http://purl.obolibrary.org/obo/CHEBI_24834 inorganic anion Any inorganic anion with a valency of two. http://purl.obolibrary.org/obo/CHEBI_29340 hydridonitrate(2-) http://purl.obolibrary.org/obo/CHEBI_35106 nitrogen hydride A divalent inorganic anion resulting from the removal of two protons from ammonia. http://purl.obolibrary.org/obo/CHEBI_33246 inorganic group http://purl.obolibrary.org/obo/CHEBI_24433 group Any substituent group which does not contain carbon. http://purl.obolibrary.org/obo/CHEBI_33658 arene http://purl.obolibrary.org/obo/CHEBI_33663 cyclic hydrocarbon Any monocyclic or polycyclic aromatic hydrocarbon. http://purl.obolibrary.org/obo/CHEBI_39143 Lewis acid http://purl.obolibrary.org/obo/CHEBI_37527 acid A molecular entity that is an electron-pair acceptor and therefore able to form a covalent bond with an electron-pair donor (Lewis base), thereby producing a Lewis adduct. http://purl.obolibrary.org/obo/CHEBI_50313 onium cation http://purl.obolibrary.org/obo/CHEBI_50312 onium compound Mononuclear cations derived by addition of a hydron to a mononuclear parent hydride of the pnictogen, chalcogen and halogen families. http://purl.obolibrary.org/obo/CHEBI_64297 reaction intermediate http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Any chemical substance produced during the conversion of a reactant to a product. http://purl.obolibrary.org/obo/CHEBI_59752 bolaamphiphile http://purl.obolibrary.org/obo/CHEBI_35195 surfactant A surfactant molecule with hydrophilic groups at both ends of a hydrophobic hydrocarbon chain http://purl.obolibrary.org/obo/CHEBI_76759 EC 3.* (hydrolase) inhibitor http://purl.obolibrary.org/obo/CHEBI_23924 enzyme inhibitor Any enzyme inhibitor that interferes with the action of a hydrolase (EC 3.*.*.*). http://purl.obolibrary.org/obo/CHEBI_77521 thermal degradation product http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Any product obtained as a result of thermally induced non-enzymatic degradation. http://purl.obolibrary.org/obo/CHEBI_77963 sequestrant http://purl.obolibrary.org/obo/CHEBI_65255 food preservative A food preservative that acts by chelating with metal cations (particularly those of copper, iron and nickel) that catalyse the oxidation of fats in food. http://biomodels.net/SBO/SBO_0000009 kinetic constant http://biomodels.net/SBO/SBO_0000002 quantitative systems description parameter Numerical parameter that quantifies the velocity of a chemical reaction. This parameter encompasses all the contributions to the velocity except the quantity of the reactants. http://purl.obolibrary.org/obo/CHEBI_131604 Mycoplasma genitalium metabolite http://purl.obolibrary.org/obo/CHEBI_76969 bacterial metabolite Any bacterial metabolite produced during a metabolic reaction in Mycoplasma genitalium. http://purl.obolibrary.org/obo/CHEBI_16670 peptide http://purl.obolibrary.org/obo/CHEBI_33839 macromolecule Amide derived from two or more amino carboxylic acid molecules (the same or different) by formation of a covalent bond from the carbonyl carbon of one to the nitrogen atom of another with formal loss of water. The term is usually applied to structures formed from alpha-amino acids, but it includes those derived from any amino carboxylic acid. X = OH, OR, NH2, NHR, etc. http://purl.obolibrary.org/obo/CHEBI_17087 ketone http://purl.obolibrary.org/obo/CHEBI_36586 carbonyl compound A compound in which a carbonyl group is bonded to two carbon atoms: R2C=O (neither R may be H). http://purl.obolibrary.org/obo/CHEBI_18379 nitrile http://purl.obolibrary.org/obo/CHEBI_23424 cyanides A compound having the structure RC#N; thus a C-substituted derivative of hydrocyanic acid, HC#N. In systematic nomenclature, the suffix nitrile denotes the triply bound #N atom, not the carbon atom attached to it. http://purl.obolibrary.org/obo/CHEBI_22586 antioxidant http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides. http://purl.obolibrary.org/obo/CHEBI_22712 benzenes http://purl.obolibrary.org/obo/CHEBI_33836 benzenoid aromatic compound Any benzenoid aromatic compound consisting of the benzene skeleton and its substituted derivatives. http://purl.obolibrary.org/obo/CHEBI_24026 fatty alcohol http://purl.obolibrary.org/obo/CHEBI_30879 alcohol An aliphatic alcohol consisting of a chain of 3 to greater than 27 carbon atoms. Fatty alcohols may be saturated or unsaturated and may be branched or unbranched. http://purl.obolibrary.org/obo/CHEBI_25212 metabolite http://purl.obolibrary.org/obo/CHEBI_52206 biochemical role Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. http://purl.obolibrary.org/obo/CHEBI_25384 monocarboxylic acid http://purl.obolibrary.org/obo/CHEBI_33575 carboxylic acid An oxoacid containing a single carboxy group. http://purl.obolibrary.org/obo/CHEBI_29347 monocarboxylic acid amide http://purl.obolibrary.org/obo/CHEBI_37622 carboxamide A carboxamide derived from a monocarboxylic acid. http://purl.obolibrary.org/obo/CHEBI_33281 antimicrobial agent http://purl.obolibrary.org/obo/CHEBI_24432 biological role A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. http://purl.obolibrary.org/obo/CHEBI_33282 antibacterial agent http://purl.obolibrary.org/obo/CHEBI_33281 antimicrobial agent A substance (or active part thereof) that kills or slows the growth of bacteria. http://purl.obolibrary.org/obo/CHEBI_33575 carboxylic acid http://purl.obolibrary.org/obo/CHEBI_35605 carbon oxoacid A carbon oxoacid acid carrying at least one -C(=O)OH group and having the structure RC(=O)OH, where R is any any monovalent functional group. Carboxylic acids are the most common type of organic acid. http://purl.obolibrary.org/obo/CHEBI_35352 organonitrogen compound http://purl.obolibrary.org/obo/CHEBI_51143 nitrogen molecular entity Any heteroorganic entity containing at least one carbon-nitrogen bond. http://purl.obolibrary.org/obo/CHEBI_35366 fatty acid http://purl.obolibrary.org/obo/CHEBI_25384 monocarboxylic acid Any aliphatic monocarboxylic acid derived from or contained in esterified form in an animal or vegetable fat, oil or wax. http://purl.obolibrary.org/obo/CHEBI_35681 secondary alcohol http://purl.obolibrary.org/obo/CHEBI_30879 alcohol A secondary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has two other carbon atoms attached to it. http://purl.obolibrary.org/obo/CHEBI_36586 carbonyl compound http://purl.obolibrary.org/obo/CHEBI_36963 organooxygen compound Any compound containing the carbonyl group, C=O. The term is commonly used in the restricted sense of aldehydes and ketones, although it actually includes carboxylic acids and derivatives. http://purl.obolibrary.org/obo/CHEBI_36963 organooxygen compound http://purl.obolibrary.org/obo/CHEBI_36962 organochalcogen compound An organochalcogen compound containing at least one carbon-oxygen bond. http://purl.obolibrary.org/obo/CHEBI_37622 carboxamide http://purl.obolibrary.org/obo/CHEBI_33256 primary amide An amide of a carboxylic acid, having the structure RC(=O)NR2. The term is used as a suffix in systematic name formation to denote the -C(=O)NH2 group including its carbon atom. http://purl.obolibrary.org/obo/CHEBI_38104 oxacycle http://purl.obolibrary.org/obo/CHEBI_36963 organooxygen compound Any organic heterocyclic compound containing at least one ring oxygen atom. http://purl.obolibrary.org/obo/CHEBI_38976 alkylbenzene http://purl.obolibrary.org/obo/CHEBI_33847 monocyclic arene A monocyclic arene that is benzene substituted with one or more alkyl groups. http://purl.obolibrary.org/obo/CHEBI_50267 protective agent http://purl.obolibrary.org/obo/CHEBI_23888 drug Synthetic or natural substance which is given to prevent a disease or disorder or are used in the process of treating a disease or injury due to a poisonous agent. http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity http://purl.obolibrary.org/obo/CHEBI_33582 carbon group molecular entity Any molecular entity that contains carbon. http://purl.obolibrary.org/obo/CHEBI_50903 carcinogenic agent http://purl.obolibrary.org/obo/CHEBI_52209 aetiopathogenetic role A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities. http://purl.obolibrary.org/obo/CHEBI_52214 ligand http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Any molecule or ion capable of binding to a central metal atom to form coordination complexes. http://purl.obolibrary.org/obo/CHEBI_63726 neuroprotective agent http://purl.obolibrary.org/obo/CHEBI_50267 protective agent Any compound that can be used for the treatment of neurodegenerative disorders. http://purl.obolibrary.org/obo/CHEBI_75767 animal metabolite http://purl.obolibrary.org/obo/CHEBI_75763 eukaryotic metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. http://purl.obolibrary.org/obo/CHEBI_75771 mouse metabolite http://purl.obolibrary.org/obo/CHEBI_75768 mammalian metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). http://purl.obolibrary.org/obo/CHEBI_76946 fungal metabolite http://purl.obolibrary.org/obo/CHEBI_75763 eukaryotic metabolite Any eukaryotic metabolite produced during a metabolic reaction in fungi, the kingdom that includes microorganisms such as the yeasts and moulds. http://purl.obolibrary.org/obo/CHEBI_76971 Escherichia coli metabolite http://purl.obolibrary.org/obo/CHEBI_76969 bacterial metabolite Any bacterial metabolite produced during a metabolic reaction in Escherichia coli. http://purl.obolibrary.org/obo/CHEBI_78298 environmental contaminant http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Any minor or unwanted substance introduced into the environment that can have undesired effects. http://purl.obolibrary.org/obo/CHEBI_80291 aliphatic nitrile http://purl.obolibrary.org/obo/CHEBI_18379 nitrile Any nitrile derived from an aliphatic compound. http://purl.obolibrary.org/obo/CHEBI_33655 aromatic compound http://purl.obolibrary.org/obo/CHEBI_33595 cyclic compound A cyclically conjugated molecular entity with a stability (due to delocalization) significantly greater than that of a hypothetical localized structure (e.g. Kekule structure) is said to possess aromatic character. http://purl.obolibrary.org/obo/CHEBI_63247 reducing agent http://purl.obolibrary.org/obo/CHEBI_51086 chemical role The element or compound in a reduction-oxidation (redox) reaction that donates an electron to another species. http://purl.obolibrary.org/obo/CHEBI_75763 eukaryotic metabolite http://purl.obolibrary.org/obo/CHEBI_25212 metabolite Any metabolite produced during a metabolic reaction in eukaryotes, the taxon that include members of the fungi, plantae and animalia kingdoms. http://purl.obolibrary.org/obo/CHEBI_76969 bacterial metabolite http://purl.obolibrary.org/obo/CHEBI_75787 prokaryotic metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. http://purl.obolibrary.org/obo/CHEBI_77962 food antioxidant http://purl.obolibrary.org/obo/CHEBI_22586 antioxidant An antioxidant that used as a food additives to help guard against food deterioration. http://purl.obolibrary.org/obo/CHEBI_17741 N,N-dimethylformamide http://purl.obolibrary.org/obo/CHEBI_134179 volatile organic compound A member of the class of formamides that is formamide in which the amino hydrogens are replaced by methyl groups. http://purl.obolibrary.org/obo/CHEBI_30751 formic acid http://purl.obolibrary.org/obo/CHEBI_25384 monocarboxylic acid The simplest carboxylic acid, containing a single carbon. Occurs naturally in various sources including the venom of bee and ant stings, and is a useful organic synthetic reagent. Principally used as a preservative and antibacterial agent in livestock feed. Induces severe metabolic acidosis and ocular injury in human subjects. http://purl.obolibrary.org/obo/CHEBI_23240 chromophore http://purl.obolibrary.org/obo/CHEBI_52215 photochemical role The part (atom or group of atoms) of a molecular entity in which the electronic transition responsible for a given spectral band is approximately localized. http://purl.obolibrary.org/obo/CHEBI_25078 luciferin http://purl.obolibrary.org/obo/CHEBI_52216 photobiochemical role A low-molecular-mass compound present in bioluminescent organisms that emits light when oxidized in presence of enzyme luciferase. http://purl.obolibrary.org/obo/CHEBI_28938 ammonium http://purl.obolibrary.org/obo/CHEBI_50313 onium cation An onium cation obtained by protonation of ammonia. http://purl.obolibrary.org/obo/CHEBI_33256 primary amide http://purl.obolibrary.org/obo/CHEBI_32988 amide A derivative of an oxoacid RkE(=O)l(OH)m (l =/= 0) in which an acidic hydroxy group has been replaced by an amino or substituted amino group. http://purl.obolibrary.org/obo/CHEBI_33405 hydracid http://purl.obolibrary.org/obo/CHEBI_33608 hydrogen molecular entity A hydracid is a compound which contains hydrogen that is not bound to oxygen, and which produces a conjugate base by loss of positive hydrogen ion(s) (hydrons). http://purl.obolibrary.org/obo/CHEBI_46787 solvent http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A liquid that can dissolve other substances (solutes) without any change in their chemical composition. http://purl.obolibrary.org/obo/CHEBI_48354 polar solvent http://purl.obolibrary.org/obo/CHEBI_46787 solvent A solvent that is composed of polar molecules. Polar solvents can dissolve ionic compounds or ionisable covalent compounds. http://purl.obolibrary.org/obo/CHEBI_48431 formimidic acid http://purl.obolibrary.org/obo/CHEBI_48378 carboximidic acid A carboximidic acid that is formic acid in which the carbonyl oxygen is replaced by an imino group. http://purl.obolibrary.org/obo/CHEBI_50584 alkyl alcohol http://purl.obolibrary.org/obo/CHEBI_2571 aliphatic alcohol An aliphatic alcohol in which the aliphatic alkane chain is substituted by a hydroxy group at unspecified position. http://purl.obolibrary.org/obo/CHEBI_63490 explosive http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A substance capable of undergoing rapid and highly exothermic decomposition. http://purl.obolibrary.org/obo/CHEBI_78295 food component http://purl.obolibrary.org/obo/CHEBI_52211 physiological role A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants. http://purl.obolibrary.org/obo/CHEBI_78299 environmental food contaminant http://purl.obolibrary.org/obo/CHEBI_78295 food component Any unwanted chemical in food. The term includes agrochemicals and industrial chemicals that may contaminate foodstuffs during their production, transportation or storage. http://purl.obolibrary.org/obo/CHEBI_78433 refrigerant http://purl.obolibrary.org/obo/CHEBI_33232 application A substance used in a thermodynamic heat pump cycle or refrigeration cycle that undergoes a phase change from a gas to a liquid and back. Refrigerants are used in air-conditioning systems and freezers or refrigerators and are assigned a "R" number (by ASHRAE - formerly the American Society of Heating, Refrigerating and Air Conditioning Engineers), which is determined systematically according to their molecular structure. http://purl.obolibrary.org/obo/CHEBI_79389 monovalent inorganic anion http://purl.obolibrary.org/obo/CHEBI_24834 inorganic anion Any inorganic anion with a valency of one. http://purl.obolibrary.org/obo/CHEBI_22695 base http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A molecular entity having an available pair of electrons capable of forming a covalent bond with a hydron (Bronsted base) or with the vacant orbital of some other molecular entity (Lewis base). http://purl.obolibrary.org/obo/CHEBI_23424 cyanides http://purl.obolibrary.org/obo/CHEBI_35352 organonitrogen compound Salts and C-organyl derivatives of hydrogen cyanide, HC#N. http://purl.obolibrary.org/obo/CHEBI_24632 hydrocarbon http://purl.obolibrary.org/obo/CHEBI_33245 organic fundamental parent A compound consisting of carbon and hydrogen only. http://purl.obolibrary.org/obo/CHEBI_33292 fuel http://purl.obolibrary.org/obo/CHEBI_33232 application An energy-rich substance that can be transformed with release of usable energy. http://purl.obolibrary.org/obo/CHEBI_33697 ribonucleic acid http://purl.obolibrary.org/obo/CHEBI_33696 nucleic acid High molecular weight, linear polymers, composed of nucleotides containing ribose and linked by phosphodiester bonds; RNA is central to the synthesis of proteins. http://purl.obolibrary.org/obo/CHEBI_38472 acetonitrile http://purl.obolibrary.org/obo/CHEBI_80291 aliphatic nitrile A nitrile that is hydrogen cyanide in which the hydrogen has been replaced by a methyl group. http://purl.obolibrary.org/obo/CHEBI_38500 EC 1.9.3.1 (cytochrome c oxidase) inhibitor http://purl.obolibrary.org/obo/CHEBI_25355 mitochondrial respiratory-chain inhibitor An EC 1.9.3.* (oxidoreductase acting on donor heme group, oxygen as acceptor) inhibitor that interferes with the action of cytochrome c oxidase (EC 1.9.3.1). http://purl.obolibrary.org/obo/CHEBI_48873 cholinergic antagonist http://purl.obolibrary.org/obo/CHEBI_38323 cholinergic drug Any drug that binds to but does not activate cholinergic receptors, thereby blocking the actions of acetylcholine or cholinergic agonists. http://purl.obolibrary.org/obo/CHEBI_50908 hepatotoxic agent http://purl.obolibrary.org/obo/CHEBI_52209 aetiopathogenetic role A role played by a chemical compound exihibiting itself through the ability to induce damage to the liver in animals. http://purl.obolibrary.org/obo/CHEBI_52090 methoxide http://purl.obolibrary.org/obo/CHEBI_25696 organic anion An organic anion that is the conjugate base of methanol. http://purl.obolibrary.org/obo/CHEBI_62803 fuel additive http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Any additive that enhances the efficiency of fuel. http://purl.obolibrary.org/obo/CHEBI_63047 food emulsifier http://purl.obolibrary.org/obo/CHEBI_63046 emulsifier A food additive used to form or maintain a uniform emulsion of two (or more) phases in a food. http://purl.obolibrary.org/obo/CHEBI_59941 amphiphile http://purl.obolibrary.org/obo/CHEBI_35195 surfactant A surfactant molecule possessing both hydrophilic and lipophilic properties. http://purl.obolibrary.org/obo/CHEBI_33233 fundamental particle http://purl.obolibrary.org/obo/CHEBI_36342 subatomic particle A particle not known to have substructure. http://purl.obolibrary.org/obo/CHEBI_33273 polyatomic anion http://purl.obolibrary.org/obo/CHEBI_36358 polyatomic ion An anion consisting of more than one atom. http://purl.obolibrary.org/obo/CHEBI_33579 main group molecular entity http://purl.obolibrary.org/obo/CHEBI_23367 molecular entity A molecular entity containing one or more atoms from any of groups 1, 2, 13, 14, 15, 16, 17, and 18 of the periodic table. http://purl.obolibrary.org/obo/CHEBI_33595 cyclic compound http://purl.obolibrary.org/obo/CHEBI_25367 molecule Any molecule that consists of a series of atoms joined together to form a ring. http://purl.obolibrary.org/obo/CHEBI_33597 homocyclic compound http://purl.obolibrary.org/obo/CHEBI_33595 cyclic compound A cyclic compound having as ring members atoms of the same element only. http://purl.obolibrary.org/obo/CHEBI_33662 annulene http://purl.obolibrary.org/obo/CHEBI_33664 monocyclic hydrocarbon A mancude monocyclic hydrocarbon without side chains of the general formula CnHn (n is an even number) or CnHn+1 (n is an odd number). In systematic nomenclature an annulene with seven or more carbon atoms may be named [n]annulene, where n is the number of carbon atoms. http://purl.obolibrary.org/obo/CHEBI_33674 s-block molecular entity http://purl.obolibrary.org/obo/CHEBI_33579 main group molecular entity An s-block molecular entity is a molecular entity containing one or more atoms of an s-block element. http://purl.obolibrary.org/obo/CHEBI_33692 hydrides http://purl.obolibrary.org/obo/CHEBI_37577 heteroatomic molecular entity Hydrides are chemical compounds of hydrogen with other chemical elements. http://purl.obolibrary.org/obo/CHEBI_33847 monocyclic arene http://purl.obolibrary.org/obo/CHEBI_33658 arene A monocyclic aromatic hydrocarbon. http://purl.obolibrary.org/obo/CHEBI_36339 baryon http://purl.obolibrary.org/obo/CHEBI_36344 hadron Baryon is a fermion that does experience the strong force (strong interaction). The term is derived from the Greek betaalpharhoupsilonsigma (heavy). http://purl.obolibrary.org/obo/CHEBI_36342 subatomic particle http://purl.obolibrary.org/obo/CHEBI_23367 molecular entity A particle smaller than an atom. http://purl.obolibrary.org/obo/CHEBI_36347 nuclear particle http://purl.obolibrary.org/obo/CHEBI_36342 subatomic particle A nucleus or any of its constituents in any of their energy states. http://purl.obolibrary.org/obo/CHEBI_47032 1,4-dioxane http://purl.obolibrary.org/obo/CHEBI_46923 dioxane A dioxane with oxygen atoms at positions 1 and 4. http://purl.obolibrary.org/obo/CHEBI_64709 organic acid http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity Any organic molecular entity that is acidic and contains carbon in covalent linkage. http://purl.obolibrary.org/obo/CHEBI_74236 polymerisation monomer http://purl.obolibrary.org/obo/CHEBI_51086 chemical role Any compound used as a monomer for a polymerisation process. The term is generally used in relation to industrial polymerisation processes. http://purl.obolibrary.org/obo/CHEBI_46923 dioxane http://purl.obolibrary.org/obo/CHEBI_46926 dioxanes Any member of the class of dioxanes that is a cyclohexane in which two carbon atoms are replaced by oxygen atoms. http://purl.obolibrary.org/obo/CHEBI_48359 protophilic solvent http://purl.obolibrary.org/obo/CHEBI_48354 polar solvent Solvent that is capable of acting as a hydron (proton) acceptor. http://purl.obolibrary.org/obo/CHEBI_48377 imidic acid http://purl.obolibrary.org/obo/CHEBI_33241 oxoacid derivative Compounds derived from oxoacids RkE(=O)l(OH)m (l =/= 0) by replacing =O by =NR; thus tautomers of amides. In organic chemistry an unspecified imidic acid is generally a carboximidic acid, RC(=NR)(OH). http://purl.obolibrary.org/obo/CHEBI_76648 fluorescence quencher http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A compound used to return an excited fluorophore to the ground state by transfer of energy from fluorophore to quencher without the emission of light, with the quencher being promoted to its own excited state. http://purl.obolibrary.org/obo/CHEBI_51268 drying control chemical additive http://purl.obolibrary.org/obo/CHEBI_46787 solvent A role played by a compound that facilitates the rapid drying of gels without their cracking. http://purl.obolibrary.org/obo/CHEBI_63060 phase-transfer catalyst http://purl.obolibrary.org/obo/CHEBI_35223 catalyst A catalyst that facilitates the migration of a reactant from one phase into another phase where reaction occurs. http://purl.obolibrary.org/obo/CHEBI_10545 electron http://purl.obolibrary.org/obo/CHEBI_36338 lepton Elementary particle not affected by the strong force having a spin 1/2, a negative elementary charge and a rest mass of 0.000548579903(13) u, or 0.51099906(15) MeV. http://purl.obolibrary.org/obo/CHEBI_15734 primary alcohol http://purl.obolibrary.org/obo/CHEBI_30879 alcohol A primary alcohol is a compound in which a hydroxy group, -OH, is attached to a saturated carbon atom which has either three hydrogen atoms attached to it or only one other carbon atom and two hydrogen atoms attached to it. http://purl.obolibrary.org/obo/CHEBI_36338 lepton http://purl.obolibrary.org/obo/CHEBI_36340 fermion Lepton is a fermion that does not experience the strong force (strong interaction). The term is derived from the Greek lambdaepsilonpitauomicronsigma (small, thin). http://purl.obolibrary.org/obo/CHEBI_38975 methylbenzene http://purl.obolibrary.org/obo/CHEBI_38976 alkylbenzene Any alkylbenzene that is benzene substituted with one or more methyl groups. http://purl.obolibrary.org/obo/CHEBI_77746 human metabolite http://purl.obolibrary.org/obo/CHEBI_75768 mammalian metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). http://purl.obolibrary.org/obo/CHEBI_26911 oxolane http://purl.obolibrary.org/obo/CHEBI_36389 saturated organic heteromonocyclic parent A cyclic ether that is butane in which one hydrogen from each methyl group is substituted by an oxygen. http://purl.obolibrary.org/obo/CHEBI_38323 cholinergic drug http://purl.obolibrary.org/obo/CHEBI_35942 neurotransmitter agent Any drug used for its actions on cholinergic systems. Included here are agonists and antagonists, drugs that affect the life cycle of acetylcholine, and drugs that affect the survival of cholinergic neurons. http://purl.obolibrary.org/obo/CHEBI_64047 food additive http://purl.obolibrary.org/obo/CHEBI_78295 food component Any substance which is added to food to preserve or enhance its flavour and/or appearance. http://purl.obolibrary.org/obo/CHEBI_35197 lumiphore http://purl.obolibrary.org/obo/CHEBI_52215 photochemical role A part of a molecular entity (atom or group of atoms) in which electronic excitation associated with a given emission band is approximately localized. http://purl.obolibrary.org/obo/CHEBI_36340 fermion http://purl.obolibrary.org/obo/CHEBI_36342 subatomic particle Particle of half-integer spin quantum number following Fermi-Dirac statistics. Fermions are named after Enrico Fermi. http://purl.obolibrary.org/obo/CHEBI_36343 composite particle http://purl.obolibrary.org/obo/CHEBI_36342 subatomic particle A subatomic particle known to have substructure (i.e. consisting of smaller particles). http://purl.obolibrary.org/obo/CHEBI_36344 hadron http://purl.obolibrary.org/obo/CHEBI_36343 composite particle Hadron is a subatomic particle which experiences the strong force. http://purl.obolibrary.org/obo/CHEBI_52210 pharmacological role http://purl.obolibrary.org/obo/CHEBI_24432 biological role A biological role which describes how a drug interacts within a biological system and how the interactions affect its medicinal properties. http://purl.obolibrary.org/obo/CHEBI_63046 emulsifier http://purl.obolibrary.org/obo/CHEBI_51086 chemical role The chemical role played by a substance that stabilizes an emulsion by increasing its kinetic stability. http://purl.obolibrary.org/obo/CHEBI_91015 corrosion inhibitor http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A chemical compound that, when added to a liquid or gas, decreases the corrosion rate of a material, typically a metal or an alloy. http://purl.obolibrary.org/obo/CHEBI_75787 prokaryotic metabolite http://purl.obolibrary.org/obo/CHEBI_25212 metabolite Any metabolite produced during a metabolic reaction in prokaryotes, the taxon that include members of domains such as the bacteria and archaea. http://purl.obolibrary.org/obo/CHEBI_76725 EC 1.* (oxidoreductase) inhibitor http://purl.obolibrary.org/obo/CHEBI_23924 enzyme inhibitor An enzyme inhibitor which interferes with the action of an oxidoreductase (EC 1.*.*.*). http://purl.obolibrary.org/obo/CHEBI_76736 EC 1.9.* (oxidoreductase acting on donor heme group) inhibitor http://purl.obolibrary.org/obo/CHEBI_76725 EC 1.* (oxidoreductase) inhibitor An oxidoreductase inhibitor which interferes with the action of an oxidoreductase acting on a heme group of donors (EC 1.9.*.*). http://purl.obolibrary.org/obo/CHEBI_76764 EC 3.5.* (hydrolases acting on non-peptide C-N bonds) inhibitor http://purl.obolibrary.org/obo/CHEBI_76759 EC 3.* (hydrolase) inhibitor Any hydrolase inhibitor that interferes with the action of a hydrolase acting on C-N bonds, other than peptide bonds (EC 3.5.*.*). http://purl.obolibrary.org/obo/FIX_0000280 Gibbs free energy of activation http://purl.obolibrary.org/obo/FIX_0000369 thermodynamic reaction property The activation energy (Ea) of a reaction is the magnitude of the potential barrier (sometimes called the energy barrier) separating minima of the potential energy surface pertaining to the initial and final thermodynamic state. For a chemical reaction to proceed at a reasonable rate, the temperature of the system should be high enough such that there exists an appreciable number of molecules with translational energy equal to or greater than the activation energy. http://purl.obolibrary.org/obo/GO_0003674 molecular_function http://purl.obolibrary.org/obo/BFO_0000015 process A molecular process that can be carried out by the action of a single macromolecular machine, usually via direct physical interactions with other molecular entities. Function in this sense denotes an action, or activity, that a gene product (or a complex) performs. These actions are described from two distinct but related perspectives: (1) biochemical activity, and (2) role as a component in a larger system/process. http://purl.obolibrary.org/obo/GO_0003824 catalytic activity http://purl.obolibrary.org/obo/GO_0003674 molecular_function Catalysis of a biochemical reaction at physiological temperatures. In biologically catalyzed reactions, the reactants are known as substrates, and the catalysts are naturally occurring macromolecular substances known as enzymes. Enzymes possess specific binding sites for substrates, and are usually composed wholly or largely of protein, but RNA that has catalytic activity (ribozyme) is often also regarded as enzymatic. http://purl.obolibrary.org/obo/GO_0034061 DNA polymerase activity http://purl.obolibrary.org/obo/GO_0003824 catalytic activity Catalysis of the reaction: deoxynucleoside triphosphate + DNA(n) = diphosphate + DNA(n+1); the synthesis of DNA from deoxyribonucleotide triphosphates in the presence of a nucleic acid template and a 3'hydroxyl group. http://purl.obolibrary.org/obo/GO_0042575 DNA polymerase complex http://purl.obolibrary.org/obo/GO_0032991 protein-containing complex A protein complex that possesses DNA polymerase activity and is involved in template directed synthesis of DNA. http://purl.obolibrary.org/obo/CHEBI_167095 secondary fatty alcohol http://purl.obolibrary.org/obo/CHEBI_24026 fatty alcohol A fatty alcohol consisting of a chain of 3 to greater than 27 carbon atoms in which a hydroxy group is attached to a saturated carbon atom different from the terminal carbons. Secondary fatty alcohols may be saturated or unsaturated and may be branched or unbranched. http://purl.obolibrary.org/obo/CHMO_0002916 sample solidification http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing Material processing in which a liquid or gas transitions into a solid. http://purl.obolibrary.org/obo/CHMO_0002917 sample quenching http://purl.obolibrary.org/obo/OBI_0000094 material processing Material processing in which a sample is cooled by immersion in a fluid. http://purl.obolibrary.org/obo/PROCO_0000001 synthetic chemical process http://purl.obolibrary.org/obo/OBI_0000011 planned process Synthesis is a planned material process that combines, changes or converts material to produce a new material. [Allotrope] http://purl.obolibrary.org/obo/PROCO_0000002 Plackett–Burman design http://purl.obolibrary.org/obo/PROCO_0000276 experimental design An experimental design to limit the number of experiments covering the space by assuming the Interactions between the factors are negligible http://purl.obolibrary.org/obo/PROCO_0000003 prior art http://purl.obolibrary.org/obo/IAO_0000030 information content entity All information that has been made available to the public in any form before a given date that might be relevant to a patent's claims of originality. http://purl.obolibrary.org/obo/PROCO_0000004 design space http://purl.obolibrary.org/obo/IAO_0000033 directive information entity A direct information entity that describes the multidimensional combination and interaction of input variables (e.g., material attributes) and process parameters that have been demonstrated to provide assurance of quality. Working within the design space is not considered as a change. Movement out of the design space is considered to be a change and would normally initiate a regulatory post-approval change process. Design space is proposed by the applicant and is subject to regulatory assessment and approval. http://purl.obolibrary.org/obo/PROCO_0000005 factor http://purl.obolibrary.org/obo/IAO_0000027 data item A data item that is a member of a minimal set of independent variables that can be used to model the dependent reponses in a set of related experiments. http://purl.obolibrary.org/obo/PROCO_0000006 equation http://purl.obolibrary.org/obo/IAO_0000030 information content entity An information content entity that asserts the equality of two expressions. http://purl.obolibrary.org/obo/PROCO_0000008 factorial design http://purl.obolibrary.org/obo/PROCO_0000276 experimental design An experimental design consisting of two or more factors, each with discrete possible values or "levels", and whose experimental units take on all or a subset of the possible combinations of these levels across all such factors. http://purl.obolibrary.org/obo/PROCO_0000009 route scouting http://purl.obolibrary.org/obo/PROCO_0000099 route related process A process of systematically selecting possible synthetic routes to make a particular product or intermediate. http://purl.obolibrary.org/obo/PROCO_0000010 route selection milestone http://purl.obolibrary.org/obo/BFO_0000035 process boundary A process boundary that represents a milestone decision on route selection. http://purl.obolibrary.org/obo/PROCO_0000011 reaction process profile http://purl.obolibrary.org/obo/BFO_0000144 process profile A process profile that tracks some aspect of a reaction. http://purl.obolibrary.org/obo/PROCO_0000012 synthesis reaction time http://purl.obolibrary.org/obo/BFO_0000008 temporal region A temporal region that describes the length of time that a synthesis occurs. http://purl.obolibrary.org/obo/PROCO_0000014 experiment http://purl.obolibrary.org/obo/OBI_0000066 investigation An investigation carried out to support or refute a hypothesis. Experiments provide insight into cause-and-effect by demonstrating what outcome occurs when a particular factor is manipulated. http://purl.obolibrary.org/obo/PROCO_0000015 process profile specification http://purl.obolibrary.org/obo/IAO_0000033 directive information entity A directive information entity that specifies allowed ranges recorded for a process profile. http://purl.obolibrary.org/obo/PROCO_0000018 quality specification http://purl.obolibrary.org/obo/IAO_0000033 directive information entity A directive information entity that species the acceptable range of values associated with a material quality http://purl.obolibrary.org/obo/PROCO_0000019 CQA specification http://purl.obolibrary.org/obo/PROCO_0000018 quality specification A quality specification set against a critical quality attribute of a material http://purl.obolibrary.org/obo/PROCO_0000025 chemical product http://purl.obolibrary.org/obo/CHEBI_24431 chemical entity A chemical entity that is the end point product generated from a synthetic chemical process. http://purl.obolibrary.org/obo/PROCO_0000026 commercial chemical product http://purl.obolibrary.org/obo/PROCO_0000025 chemical product A chemical product that is used for commercial purpose. http://purl.obolibrary.org/obo/PROCO_0000028 temperature profile in synthesis process http://purl.obolibrary.org/obo/PROCO_0000047 quality process profile A process profile that is about temperature. http://purl.obolibrary.org/obo/PROCO_0000029 starting material for synthesis http://purl.obolibrary.org/obo/CHEBI_24431 chemical entity A chemcial entity with the role starting material in a synthesis. http://purl.obolibrary.org/obo/PROCO_0000030 intermediate material for synthesis http://purl.obolibrary.org/obo/CHEBI_24431 chemical entity A chemical entity that is the product of a chemical reaction but not the last step in a synthesis. http://purl.obolibrary.org/obo/PROCO_0000031 chemical impurity http://purl.obolibrary.org/obo/CHEBI_24431 chemical entity Chemical substance that is inside a confined amount of liquid, gas, or solid, and differs from the chemical composition of the material or compound. Impurities are either naturally occurring or added during synthesis of a chemical or commercial product. During production, impurities may be purposely, accidentally, inevitably, or incidentally added into the substance. http://purl.obolibrary.org/obo/PROCO_0000032 GMP starting material http://purl.obolibrary.org/obo/PROCO_0000029 starting material for synthesis A raw material, intermediate, or an AP chemical entity that is used in the production of an API and that is incorporated as a significant structural fragment into the structure of the API. http://purl.obolibrary.org/obo/PROCO_0000034 temperature measurement http://purl.obolibrary.org/obo/PROCO_0000100 process monitoring A process measurement of the temperature in a process http://purl.obolibrary.org/obo/PROCO_0000041 GLP synthetic process http://purl.obolibrary.org/obo/PROCO_0000001 synthetic chemical process A synthetic process governed by the GLP regulations. http://purl.obolibrary.org/obo/PROCO_0000042 GMP specification of synthetic process http://purl.obolibrary.org/obo/PROCO_0000056 route specification A plan specification that specifies the action and objective of a synthetic process, as defined in CFR - Code of Federal Regulations Title 21. http://purl.obolibrary.org/obo/PROCO_0000044 material flow profile in synthesis process http://purl.obolibrary.org/obo/PROCO_0000047 quality process profile A process profile in synthesis process that is about material flow http://purl.obolibrary.org/obo/PROCO_0000046 process chemistry filing http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process. http://purl.obolibrary.org/obo/PROCO_0000047 quality process profile http://purl.obolibrary.org/obo/BFO_0000144 process profile A process profile that tracks the quality of some process participant. http://purl.obolibrary.org/obo/PROCO_0000049 reaction rate profile http://purl.obolibrary.org/obo/PROCO_0000011 reaction process profile Reaction rate is the rate of the changing concentration of a product during a reaction process. http://purl.obolibrary.org/obo/PROCO_0000050 filtering http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing A unit operation to remove portions of material from a synthesis stream by trapping it on a filter. http://purl.obolibrary.org/obo/PROCO_0000054 polymer http://purl.obolibrary.org/obo/CHEBI_24431 chemical entity A substance or material consisting of very large molecules, or macromolecules, composed of many repeating subunits. http://purl.obolibrary.org/obo/PROCO_0000056 route specification http://purl.obolibrary.org/obo/IAO_0000104 plan specification A sequenced plan of synthetic steps and defined intermediates to make a specific product from commercially available starting materials http://purl.obolibrary.org/obo/PROCO_0000057 synthetic step specification http://purl.obolibrary.org/obo/IAO_0000007 action specification A sequenced set of unit operations for a single synthetic reaction or simultaneous reactions that are executed in a single equipment train. http://purl.obolibrary.org/obo/PROCO_0000058 product filing milestone http://purl.obolibrary.org/obo/BFO_0000035 process boundary A process boundary that represents a milestone of filing the documentation required to obtain regulatory approval to sell a new product. http://purl.obolibrary.org/obo/PROCO_0000059 fate of impurity http://purl.obolibrary.org/obo/PROCO_0000295 process chemistry datum A process chemistry datum describing the ultimate final state and location of an impurity in a synthetic process. http://purl.obolibrary.org/obo/PROCO_0000060 rate constant http://biomodels.net/SBO/SBO_0000009 kinetic constant Numerical parameter that quantifies the velocity of a chemical reaction. This parameter encompasses all the contributions to the velocity except the quantity of the reactants. http://purl.obolibrary.org/obo/PROCO_0000061 mathematical constant http://purl.obolibrary.org/obo/IAO_0000027 data item A fixed and well-defined number or other non-varying mathematical object. http://purl.obolibrary.org/obo/PROCO_0000064 antisolvent role http://purl.obolibrary.org/obo/CHEBI_51086 chemical role The role of a solvent in a precipitation or crystallization in which the solute of a solution is sparingly soluble to induce its solidification. http://purl.obolibrary.org/obo/PROCO_0000066 seed role http://purl.obolibrary.org/obo/CHEBI_51086 chemical role The role of a crystalline solid material input in a crystallization to promote nucleation or crystal growth. http://purl.obolibrary.org/obo/PROCO_0000067 precipitate role http://purl.obolibrary.org/obo/CHEBI_51086 chemical role The role of solids in a slurry http://purl.obolibrary.org/obo/PROCO_0000068 slurry http://purl.obolibrary.org/obo/BFO_0000040 material entity A suspension (AFM_0000442) that is a mix of solids in a liquid http://purl.obolibrary.org/obo/PROCO_0000070 purge factor http://purl.obolibrary.org/obo/PROCO_0000295 process chemistry datum A process chemistry datum that quantifies the ratio of the amount of an impurity in the waste stream of a process to that retained in the product stream. http://purl.obolibrary.org/obo/PROCO_0000071 crystallization yield http://purl.obolibrary.org/obo/PROCO_0000295 process chemistry datum A process chemistry datum quantifying the ratio of the mass of desired compound recovered as crystalline material from a crystallization to mass of compound input into the crystallization. http://purl.obolibrary.org/obo/PROCO_0000072 mother liquor role http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A debris role of the solution in a slurry resulting from a crystallization http://purl.obolibrary.org/obo/PROCO_0000074 crystalline solid http://purl.obolibrary.org/obo/CHEBI_24431 chemical entity A solid with at least one crystalline phase http://purl.obolibrary.org/obo/PROCO_0000079 chemical process development http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process with data output of commercial synthetic chemical route. http://purl.obolibrary.org/obo/PROCO_0000080 drug product filing milestone http://purl.obolibrary.org/obo/PROCO_0000058 product filing milestone A process boundary that represents a milestone of filing the documentation required to obtain regulatory approval to sell a new drug product. http://purl.obolibrary.org/obo/PROCO_0000082 route validation http://purl.obolibrary.org/obo/PROCO_0000099 route related process A planned process producing data to demonstrate that a commercial route meets regulatory requirements. http://purl.obolibrary.org/obo/PROCO_0000083 reaction screening design http://purl.obolibrary.org/obo/PROCO_0000091 screening design A screening design to evaluate possible chemical reactions http://purl.obolibrary.org/obo/PROCO_0000084 route selection http://purl.obolibrary.org/obo/PROCO_0000099 route related process A process that ends with a milestone where a selection will be made on route process. http://purl.obolibrary.org/obo/PROCO_0000085 mechanistic and kinetic determination http://purl.obolibrary.org/obo/PROCO_0000093 process chemistry workflow plan Chemical kinetics includes investigations of how experimental conditions influence the speed of a chemical reaction and yield information about the reaction's mechanism and transition states, as well as the construction of mathematical models that also can describe the characteristics of a chemical reaction. http://purl.obolibrary.org/obo/PROCO_0000086 process validation http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process of demonstrating that a process produces product of adequate quality and yield through the definition of the design space or risk assessments. http://purl.obolibrary.org/obo/PROCO_0000089 polymorph and solvate screening design http://purl.obolibrary.org/obo/PROCO_0000091 screening design A screening design to discover polymorphs and solvates of a compound http://purl.obolibrary.org/obo/PROCO_0000091 screening design http://purl.obolibrary.org/obo/PROCO_0000093 process chemistry workflow plan A process chemistry workflow plan that specifies how a multi-parallel screening study should be conducted. http://purl.obolibrary.org/obo/PROCO_0000092 batch campaign http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process of manufacturing one or more batches of a product in unbroken succession. It includes equipment turnover and cleaning can include dry-runs before committing the starting materials. http://purl.obolibrary.org/obo/PROCO_0000093 process chemistry workflow plan http://purl.obolibrary.org/obo/IAO_0000104 plan specification A plan specification that specifies a process chemistry workflow consisting of a series of unit operations. http://purl.obolibrary.org/obo/PROCO_0000094 review of prior art http://purl.obolibrary.org/obo/OBI_0000066 investigation An investigation of published material to find prior art related to a synthetic route http://purl.obolibrary.org/obo/PROCO_0000095 product filing documentation http://purl.obolibrary.org/obo/IAO_0000310 document A document to secure permission or continuing permission to market a product from a regulatory body. http://purl.obolibrary.org/obo/PROCO_0000099 route related process http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process about a synthetic route http://purl.obolibrary.org/obo/PROCO_0000100 process monitoring http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process of measuring a quality of a material associated with a process. http://purl.obolibrary.org/obo/PROCO_0000101 pressure measurement http://purl.obolibrary.org/obo/PROCO_0000100 process monitoring A process measurement of the pressure in a process http://purl.obolibrary.org/obo/PROCO_0000102 end reaction monitoring http://purl.obolibrary.org/obo/PROCO_0000100 process monitoring A process monitoring to determine when a chemical reaction has ended. http://purl.obolibrary.org/obo/PROCO_0000103 product approval milestone http://purl.obolibrary.org/obo/BFO_0000035 process boundary A process boundary that represents a milestone of obtaining regulatory approval to sell a new product. http://purl.obolibrary.org/obo/PROCO_0000104 drug product approval milestone http://purl.obolibrary.org/obo/PROCO_0000103 product approval milestone A process boundary that represents a milestone of obtaining regulatory approval to sell a new drug product. http://purl.obolibrary.org/obo/PROCO_0000106 induction period http://purl.obolibrary.org/obo/BFO_0000008 temporal region A temporal region of initial kinetics of a chemical reaction after which the reaction accelerates. http://purl.obolibrary.org/obo/PROCO_0000107 assessed reactivity purge factor http://purl.obolibrary.org/obo/PROCO_0000070 purge factor The assessed reactivity of the mutagenic impurity in the processing conditions http://purl.obolibrary.org/obo/PROCO_0000108 assessed solubility purge factor http://purl.obolibrary.org/obo/PROCO_0000070 purge factor An assessed purge factor based on the solubility of the impurity in the reaction solvent and therefore its propensity to be purged in the mother liquors of steps that involve an isolation of the solid intermediate/product in that step. http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality http://purl.obolibrary.org/obo/BFO_0000019 quality A molecular quality that describes the unit cell of the crystal lattice http://purl.obolibrary.org/obo/PROCO_0000110 space group http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality a symmetry quality of a unit cell in three-dimensional space. http://purl.obolibrary.org/obo/PROCO_0000111 point symmetry http://purl.obolibrary.org/obo/PATO_0000965 symmetry a geometric symmetry that keeps at least one point fixed http://purl.obolibrary.org/obo/PROCO_0000112 polar point symmetry http://purl.obolibrary.org/obo/PROCO_0000111 point symmetry a point symmetry that contains a polar axis. http://purl.obolibrary.org/obo/PROCO_0000113 centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000111 point symmetry a point symmetry in which the original structure can be obtained by reflecting all lattice points through a single point. http://purl.obolibrary.org/obo/PROCO_0000114 non-centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000111 point symmetry a point symmetry of a structure that is not identical to any inversion of that structure created by reflecting all of its points through a single point. http://purl.obolibrary.org/obo/PROCO_0000115 enantiomorphic point symmetry http://purl.obolibrary.org/obo/PROCO_0000114 non-centrosymmetric point symmetry a non-centrosymmetric point symmetry that cannot be rotated to align with the original structure (chiral). http://purl.obolibrary.org/obo/PROCO_0000116 non-centrosymmetric achiral symmetry http://purl.obolibrary.org/obo/PROCO_0000114 non-centrosymmetric point symmetry a non-centrosymmetric point symmetry that can be rotated to align with the original structure (achiral). http://purl.obolibrary.org/obo/PROCO_0000117 unit cell a-axis length http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality the length of the a-axis of a unit cell http://purl.obolibrary.org/obo/PROCO_0000118 unit cell b-axis length http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality the length of the b-axis of a unit cell http://purl.obolibrary.org/obo/PROCO_0000119 unit cell c-axis length http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality the length of the c-axis of a unit cell http://purl.obolibrary.org/obo/PROCO_0000120 unit cell http://purl.obolibrary.org/obo/CHMO_0000993 portion of material The smallest, regularly repeating material portion of a crystalline lattice http://purl.obolibrary.org/obo/PROCO_0000123 tetragonal unit cell http://purl.obolibrary.org/obo/PROCO_0000120 unit cell A unit cell that has three perpendicular axes, two of equal length http://purl.obolibrary.org/obo/PROCO_0000124 orthorhombic unit cell http://purl.obolibrary.org/obo/PROCO_0000120 unit cell A unit cell that has three perpendicular axes, all of different lengths http://purl.obolibrary.org/obo/PROCO_0000125 hexagonal unit cell http://purl.obolibrary.org/obo/PROCO_0000120 unit cell A unit cell of three equal lateral axes intersecting at angles of 60 degrees and a vertical axis of variable length at right angles http://purl.obolibrary.org/obo/PROCO_0000126 trigonal unit cell http://purl.obolibrary.org/obo/PROCO_0000120 unit cell A unit cell of three equal lateral axes intersecting at the same angle but not perpendicularly http://purl.obolibrary.org/obo/PROCO_0000127 monoclinic unit cell http://purl.obolibrary.org/obo/PROCO_0000120 unit cell A unit cell that has three axes of unequal length, two of which are perpendicular http://purl.obolibrary.org/obo/PROCO_0000128 triclinic unit cell http://purl.obolibrary.org/obo/PROCO_0000120 unit cell A unit cell in which all axes are of different length and no angle is perpendicular nor equal to any other angles. http://purl.obolibrary.org/obo/PROCO_0000129 unit cell alpha internal angle http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality A unit cell quality describing the angle between the b and c axes. http://purl.obolibrary.org/obo/PROCO_0000130 unit cell beta internal angle http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality A unit cell quality describing the angle between the a and c axes. http://purl.obolibrary.org/obo/PROCO_0000131 unit cell gamma internal angle http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality A unit cell quality describing the angle between the a and b axes. http://purl.obolibrary.org/obo/PROCO_0000132 unit cell volume http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality The volume of the unit cell http://purl.obolibrary.org/obo/PROCO_0000133 unit cell Z value http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality A unit cell quality indicating the number of formula units (molecules) in the unit cell http://purl.obolibrary.org/obo/PROCO_0000134 unit cell Z' value http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality A unit cell quality indicating the number of asymmetric units in the unit cell. It is equal to the Z value divided by the lowest Wycoff position multiplicity http://purl.obolibrary.org/obo/PROCO_0000135 unit cell crystal density http://purl.obolibrary.org/obo/PROCO_0000109 unit cell quality A unit cell quality indicating the density of the compound in the unit cell http://purl.obolibrary.org/obo/PROCO_0000136 ICH Guideline http://purl.obolibrary.org/obo/IAO_0000033 directive information entity A directive information entity issued by the International Conference on Harmonization of Technical Requirements for the Registration of Pharmaceuticals for Human Use with the objective of achieving greater harmonisation worldwide to ensure that safe, effective and high quality medicines are developed, and registered and maintained across the world in the most resource efficient manner whilst meeting high standards. [ICH] http://purl.obolibrary.org/obo/PROCO_0000137 habit http://purl.obolibrary.org/obo/PATO_0000051 morphology A description of one of the characteristic external shapes (crystal class / point group) of an individual crystal family / system. Factors that impact growth rates on the various crystal faces produce different shapes but possess the same set of symmetry elements as parent crystal class. http://purl.obolibrary.org/obo/PROCO_0000138 thermodynamic phase http://purl.obolibrary.org/obo/CHMO_0000993 portion of material A portion of material within a a region of space in a system throughout which all physical properties of the material are essentially uniform. http://purl.obolibrary.org/obo/PROCO_0000139 crystalline solid thermodynamic phase http://purl.obolibrary.org/obo/PROCO_0000138 thermodynamic phase A crystalline phase is a single solid crystalline thermodynamic phase http://purl.obolibrary.org/obo/PROCO_0000141 solid solution http://purl.obolibrary.org/obo/CHMO_0000993 portion of material A solid in solid solution is a solution where the continuous phase is a solid and the dispersed phase is a solid. [Allotrope] http://purl.obolibrary.org/obo/PROCO_0000142 molecular complex http://purl.obolibrary.org/obo/BFO_0000027 object aggregate An object aggregate of two or more molecular entities that does not include covalent or ionic interactions http://purl.obolibrary.org/obo/PROCO_0000143 co-crystal http://purl.obolibrary.org/obo/PROCO_0000142 molecular complex A co-crystal is a solid solution and a molecular complex with two or more non-solvent molecules incorporated into the unit cell in a stoichiometric amount. http://purl.obolibrary.org/obo/PROCO_0000144 solvate http://purl.obolibrary.org/obo/PROCO_0000142 molecular complex A solvate is a crystalline material that has solvent molecules incorporated into the crystal lattice in a stoichiometric amount. [Allotrope] http://purl.obolibrary.org/obo/PROCO_0000145 hydrate http://purl.obolibrary.org/obo/PROCO_0000144 solvate A hydrate is a solvate that has water as the solvent adduct. http://purl.obolibrary.org/obo/PROCO_0000146 ionic salt http://purl.obolibrary.org/obo/PROCO_0000141 solid solution A chemical substance composed of ions held together by electrostatic forces termed ionic bonding. http://purl.obolibrary.org/obo/PROCO_0000147 anhydrous phase http://purl.obolibrary.org/obo/PROCO_0000139 crystalline solid thermodynamic phase A crystalline phase without solvent in the unit cell http://purl.obolibrary.org/obo/PROCO_0000148 isomorphic desolvate http://purl.obolibrary.org/obo/PROCO_0000147 anhydrous phase An anhydrous crystalline phase formed experimentally by removing the solvent from a solvate http://purl.obolibrary.org/obo/PROCO_0000149 eutectic http://purl.obolibrary.org/obo/PROCO_0000074 crystalline solid A heterogeneous ensemble of individual components whose crystal structures are like discontinuous solid solutions (phase separated). http://purl.obolibrary.org/obo/PROCO_0000150 concomitant polymorphs http://purl.obolibrary.org/obo/PROCO_0000074 crystalline solid A heterogeneous solid solution consisting of two or more polymorphs of the same chemical entity http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry http://purl.obolibrary.org/obo/PATO_0000965 symmetry A group of geometric symmetries (isometries) that keep at least one point fixed. http://purl.obolibrary.org/obo/PROCO_0000153 pedial http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry An open,one faced triclinic form with enantiomorphic and polar point symmetries http://purl.obolibrary.org/obo/PROCO_0000154 pinacoidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 2-faced triclinic form with centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000155 sphenoidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry A monoclinic crystal class with two nonparallel faces symmetrical to a 2- or 4-fold axis of symmetry that has enantiomorphic and polar point symmetry. http://purl.obolibrary.org/obo/PROCO_0000156 hexoctahedral http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry A cubic system crystal class with 48 equal triangular faces and three identical crystallographic axes with four fold rotational axes and centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000157 hextetrahedral http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry A cubic system crystal class with 24-faces and four fold rotoinversion axes and non-centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000158 gyroidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry A cubic form with no mirror planes and enantiomorphic point symmetry http://purl.obolibrary.org/obo/PROCO_0000159 in-silico modeling http://purl.obolibrary.org/obo/OBI_0000011 planned process An experiment performed on computer or via computer simulation http://purl.obolibrary.org/obo/PROCO_0000160 Powder Indexing http://purl.obolibrary.org/obo/PROCO_0000159 in-silico modeling An in-silico modeling to predict the unit cell of the crystal lattice based on the powder x-ray diffractogram http://purl.obolibrary.org/obo/PROCO_0000161 crystal structure predictions http://purl.obolibrary.org/obo/PROCO_0000159 in-silico modeling An in-silico modeling to calculate calculation of the crystal structures by simulated annealing, evolutionary algorithms, distributed multipole analysis, random sampling, basin-hopping, data mining, density functional theory and molecular mechanics. http://purl.obolibrary.org/obo/PROCO_0000162 ICH Q11 Guidance for Development and Manufacture of Drug Substances http://purl.obolibrary.org/obo/PROCO_0000136 ICH Guideline An ICH Guidance for developing and understanding the manufacturing process of the drug substance. http://purl.obolibrary.org/obo/PROCO_0000166 assessed volatility purge factor http://purl.obolibrary.org/obo/PROCO_0000070 purge factor An assessed purge factor based on the relative boiling point of the impurity to the reaction solvent and therefore its propensity to be purged in the headspace of steps to which the impurity is subjected.. http://purl.obolibrary.org/obo/PROCO_0000167 assessed ionisability purge factor http://purl.obolibrary.org/obo/PROCO_0000070 purge factor An assessed purge factor based on the ionisability of the impurity relative to desired compound and therefore its propensity to be purged in the waste layer of a biphasic system in steps that involve such an extraction. http://purl.obolibrary.org/obo/PROCO_0000168 overall assessed purge factor http://purl.obolibrary.org/obo/PROCO_0000070 purge factor The assessed ratio of maximum possible concentration before purging to its concentration after purging (the final product). It is simply the product of all the assessed purge factors of each reaction step to which the impurity is subjected. http://purl.obolibrary.org/obo/PROCO_0000169 common technical document http://purl.obolibrary.org/obo/IAO_0000310 document A set of specifications maintained by the International Conference on Harmonisation of Technical Requirements for Registration of Pharmaceuticals for Human Use (ICH). for an application dossier for the registration of Medicines and designed to be used across Europe, Japan and the United States. http://purl.obolibrary.org/obo/PROCO_0000175 Vigreux column http://purl.obolibrary.org/obo/PROCO_0000174 fractionating column A fractionating column made of a wide glass tube with multiple internal glass "fingers" that point downwards so that the vapor that enters from the lower opening condenses on the fingers and drips down from them. http://purl.obolibrary.org/obo/PROCO_0000176 Snyder column http://purl.obolibrary.org/obo/PROCO_0000174 fractionating column A fractionating column divided into sections (usually 3 to 6) by horizontal glass partitions or constrictions each of which seats a hollow glass bead with an inverted "teardrop" shape acting as check valves, closing and opening with vapor flow, and enhancing vapor-condensate mixing. http://purl.obolibrary.org/obo/PROCO_0000177 Widmer column http://purl.obolibrary.org/obo/PROCO_0000174 fractionating column A fractionating column consisting of four concentric glass tubes and a central glass rod, with a thinner glass rod coiled around it to increase the surface area. http://purl.obolibrary.org/obo/PROCO_0000179 Liebig condenser http://purl.obolibrary.org/obo/PROCO_0000178 condensor A condensor consisting of a simple tube surrounded by a jacket of cooling water http://purl.obolibrary.org/obo/PROCO_0000183 coil condenser http://purl.obolibrary.org/obo/PROCO_0000178 condensor A condensor consisting of a straight tube containing an internal spiral coil through which coolant flows. http://purl.obolibrary.org/obo/PROCO_0000184 Dimroth condenser http://purl.obolibrary.org/obo/PROCO_0000178 condensor A condensor with an internal double spiral through which coolant flows such that the coolant inlet and outlet are both at the top http://purl.obolibrary.org/obo/PROCO_0000185 cold finger http://purl.obolibrary.org/obo/PROCO_0000178 condensor A condensor consisting of a vertical rod that is flow-cooled from the inside that is to be immersed in the vapor to provide a condensing surface. This condensor is also used for sublimation. http://purl.obolibrary.org/obo/PROCO_0000186 Frederichs condensor http://purl.obolibrary.org/obo/PROCO_0000178 condensor A condensor consisting of a large water-cooled finger tightly fitted inside a wide cylindrical housing. The finger has a helical ridge along its length, so as to leave a narrow helical path for the vapor. http://purl.obolibrary.org/obo/PROCO_0000187 bulk substance quality http://purl.obolibrary.org/obo/BFO_0000019 quality A quality associated with a portion of material http://purl.obolibrary.org/obo/PROCO_0000190 round bottom flask http://purl.obolibrary.org/obo/PROCO_0000191 flask A round-bottom flask is a flask with a spherical body and one or more necks with ground glass joints. http://purl.obolibrary.org/obo/PROCO_0000192 volumetric flask http://purl.obolibrary.org/obo/PROCO_0000191 flask A flask for preparing liquids with volumes of high precision. It is a flask with an approximately pear-shaped body and a long neck with a circumferential fill line. http://purl.obolibrary.org/obo/PROCO_0000194 syringe pump http://purl.allotrope.org/ontologies/equipment#AFE_0002168 transferring device A syringe which has the function of pumping material into an experiment. http://purl.obolibrary.org/obo/PROCO_0000195 Erlenmeyer flask http://purl.obolibrary.org/obo/PROCO_0000191 flask An Erlenmeyer flask or conical flask is a type of laboratory flask which features a flat bottom, a conical body, and a cylindrical neck. http://purl.obolibrary.org/obo/PROCO_0000198 international nonproprietary name http://purl.obolibrary.org/obo/IAO_0000590 written name A centrally registered identifier given to a pharmaceutical drug or an active ingredient coordinated by the World Health Organization (WHO) that is unique generic and non-proprietary. http://purl.obolibrary.org/obo/PROCO_0000199 chemical structure http://purl.obolibrary.org/obo/PATO_0002182 molecular quality The structure of a chemical entity in terms of its molecular geometry and electronic structure. http://purl.obolibrary.org/obo/PROCO_0000201 CTA Section 3.2.S.1.1 Nomenclature http://purl.obolibrary.org/obo/IAO_0000314 document part The drug substance nomenclature section of the CTA http://purl.obolibrary.org/obo/PROCO_0000202 preferred IUPAC name http://purl.obolibrary.org/obo/IAO_0000590 written name A unique name, assigned to a chemical substance and preferred among the possible names generated by IUPAC nomenclature. The "preferred IUPAC nomenclature" provides a set of rules for choosing between multiple possibilities in situations where it is important to decide on a unique name. It is intended for use in legal and regulatory situations. http://purl.obolibrary.org/obo/PROCO_0000203 chemical abstracts name http://purl.obolibrary.org/obo/IAO_0000590 written name The name assigned to a chemical substance by the Chemical Abstracts Service of the American Chemical Society http://purl.obolibrary.org/obo/PROCO_0000204 chemical abstracts number http://purl.obolibrary.org/obo/IAO_0000578 centrally registered identifier A centrally registered identifier assigned by the Chemical Abstracts Service (CAS) to every chemical substance described in the open scientific literature. http://purl.obolibrary.org/obo/PROCO_0000205 CTA Section 3.2.S.1.2 Structure http://purl.obolibrary.org/obo/IAO_0000314 document part The drug substance structure section of the CTA http://purl.obolibrary.org/obo/PROCO_0000208 molecular formula http://purl.obolibrary.org/obo/PATO_0002182 molecular quality A molecular entity quality which identifies each constituent element by its chemical symbol and indicates the number of atoms of each element found in each discrete molecular entity of that compound. http://purl.obolibrary.org/obo/PROCO_0000210 CTA Section 3.2.S.1.3 General Properties http://purl.obolibrary.org/obo/IAO_0000314 document part The drug substance general properties section of the CTA that includes appearance, thermal behaviour, solubility, chirality /specific rotation, crystallinity / polymorphism, hygroscopicity, solution pH and acid/base diassociation constants. http://purl.obolibrary.org/obo/PROCO_0000211 certificate of analysis http://purl.obolibrary.org/obo/IAO_0000310 document A document certified by a vendor summarizing test results and specifications for a particular batch of its product. http://purl.obolibrary.org/obo/PROCO_0000212 appearance datum http://purl.obolibrary.org/obo/IAO_0000027 data item A data item that is about a material entity based on a visual inspection. http://purl.obolibrary.org/obo/PROCO_0000213 CTA Section 3.2.S.2.1 Manufacturers http://purl.obolibrary.org/obo/IAO_0000314 document part The document part of the common technical document regarding manufacturers http://purl.obolibrary.org/obo/PROCO_0000215 CTA Section 3.2.S.2.2 Description of Manufacturing Process and Process Controls http://purl.obolibrary.org/obo/IAO_0000314 document part The description of the drug substance manufacturing process represents the applicant’s commitment for the manufacture of the drug substance. Reference ICH guidances Q5A, Q5B, and Q6B. http://purl.obolibrary.org/obo/PROCO_0000216 solution pH datum http://purl.obolibrary.org/obo/IAO_0000032 scalar measurement datum A scalar measurement datum that quantifies the measured pH of a saturated solution of a material at a specified temperature. http://purl.obolibrary.org/obo/PROCO_0000217 specific rotation datum http://purl.obolibrary.org/obo/IAO_0000032 scalar measurement datum A scalar measurement datum that quantifies the measured change in orientation of monochromatic plane-polarized light, per unit distance–concentration product, as the light passes through a sample of a compound in solution. http://purl.obolibrary.org/obo/PROCO_0000218 CTA Section 3.2.S.2.3 Control of Materials http://purl.obolibrary.org/obo/IAO_0000314 document part Materials used in the manufacture of the drug substance (e.g., raw materials, starting materials, solvents, reagents, catalysts) should be listed, identifying where each material is used in the process. Information on the quality and control of these materials should be provided. Reference ICH guidances Q6A and Q6B. http://purl.obolibrary.org/obo/PROCO_0000219 CTA Section 3.2.S.2.4 Controls of Critical Steps and Intermediates http://purl.obolibrary.org/obo/IAO_0000314 document part The document part of the common technical document that specifies tests and acceptance criteria (with justification including experimental data) performed at critical steps identified in 3.2.S.2.2 of the manufacturing process to ensure that the process is controlled. Information on the quality and control of intermediates isolated during the process is also provided. Reference ICH guidances Q6A and Q6B. http://purl.obolibrary.org/obo/PROCO_0000220 CTA Section 3.2.S.3.1 Elucidation of Structure and other Characteristics http://purl.obolibrary.org/obo/IAO_0000314 document part The document part of the common technical document that provides confirmation of structure based on, for example, synthetic route and spectral analyses should be provided. Information such as the potential for isomerism, the identification of stereochemistry, or the potential for forming polymorphs. Reference ICH guidance Q6A. http://purl.obolibrary.org/obo/PROCO_0000221 CTA Section 3.2.S.3.2 Impurities http://purl.obolibrary.org/obo/IAO_0000314 document part The document part of the common technical document that provides Information on impurities. Reference ICH guidances Q3A, Q3C, Q5C, Q6A, and Q6B. http://purl.obolibrary.org/obo/PROCO_0000222 ICH M7 Assessment and Control of DNA Reactive (Mutagenic) Impurities in Pharmaceuticals To Limit Potential Carcinogenic Risk http://purl.obolibrary.org/obo/PROCO_0000136 ICH Guideline An ICH guideline and objective specification for the identification, categorization, qualification, and control of these mutagenic impurities in pahrmaceutical products to limit potential carcinogenic risk. http://purl.obolibrary.org/obo/PROCO_0000223 DEREK Mutagen Prediction http://purl.obolibrary.org/obo/PROCO_0000159 in-silico modeling An is-silico modeling based on DEREK that determines the risk of a chemical being a mutagenic impurity http://purl.obolibrary.org/obo/PROCO_0000224 MCASE Mutagen Prediction http://purl.obolibrary.org/obo/PROCO_0000159 in-silico modeling An is-silico modeling based on MCASE that determines the risk of a chemical being a mutagenic impurity http://purl.obolibrary.org/obo/PROCO_0000230 overall reaction order http://purl.obolibrary.org/obo/PROCO_0000062 kinetic order The sum of stoichiometric coefficients of reactants, is always equal to the molecularity of the elementary reaction. However, complex (multi-step) reactions may or may not have reaction orders equal to their stoichiometric coefficients. http://purl.obolibrary.org/obo/PROCO_0000231 concentration profile http://purl.obolibrary.org/obo/PROCO_0000047 quality process profile A quality process profile that tracks the concentration changes of a species http://purl.obolibrary.org/obo/PROCO_0000232 reaction rate http://purl.obolibrary.org/obo/IAO_0000109 measurement datum A measurement datum about the speed at which a chemical reaction takes place, defined as proportional to the increase in the concentration of a product per unit time and to the decrease in the concentration of a reactant per unit time. http://purl.obolibrary.org/obo/PROCO_0000233 integral kinetic measurement http://purl.obolibrary.org/obo/PROCO_0000085 mechanistic and kinetic determination A kinetic determination method that measures the concentration of reaction species which is proportional to the integral of the reaction rate. http://purl.obolibrary.org/obo/PROCO_0000234 differential kinetic measurement http://purl.obolibrary.org/obo/PROCO_0000085 mechanistic and kinetic determination A kinetic determination method that measures reaction rate directly. (d[]/dt) http://purl.obolibrary.org/obo/PROCO_0000235 method of initial rates http://purl.obolibrary.org/obo/PROCO_0000234 differential kinetic measurement A series of experiments whereby the initial concentration of each reactant is varied while the other reactant concentrations are kept constant, allowing the determination of the rate order of the reactant. http://purl.obolibrary.org/obo/PROCO_0000237 Variable Time Normalisation Analysis http://purl.obolibrary.org/obo/PROCO_0000085 mechanistic and kinetic determination A mechanistic and kinetic determination that compares concentration vs. time profiles in a series of experiments to identify product inhibition, catalyst deactivation and the order of components including catalysts. http://purl.obolibrary.org/obo/PROCO_0000239 domatic http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry A 2- faced open form monoclinic crystal with polar point symmetry. http://purl.obolibrary.org/obo/PROCO_0000240 prismatic http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 3, 4, 6, 8, or 12 faced monoclinic crystal with centrosymmetric point symmetry. http://purl.obolibrary.org/obo/PROCO_0000241 rhombic-disphenoidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry Four-faced closed orthorhombic form with enantiomorphic point symmetry http://purl.obolibrary.org/obo/PROCO_0000242 rhombic-pyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 3, 4, 6, 8, or 12 nonparallel faced orthorhombic system with polar point symmetry. http://purl.obolibrary.org/obo/PROCO_0000243 rhombic-dipyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 8-faced form orthorhombic crystal class with centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000244 diploidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry Isometric form with no 4 fold axes and centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000245 tetartoidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry General cubic forms which only has 3-fold axes and 2-fold axes with no mirror plane with enantiomorphic point symmetry. http://purl.obolibrary.org/obo/PROCO_0000246 tetragonal-pyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 4-faced tetragonal form with polar point and enantiomorphic point symmetry. http://purl.obolibrary.org/obo/PROCO_0000247 tetragonal-disphenoidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 4-faced closed orthorhombic form with non-centrosymmetric point symmetry. http://purl.obolibrary.org/obo/PROCO_0000248 tetragonal-dipyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 8-faced form with centrosymmetric point symmetry. http://purl.obolibrary.org/obo/PROCO_0000249 tetragonal-trapezohedral http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 6-, 8-, 12-, or 24-trapezium faced closed tetragonal form with enantiomorphic point symmetry http://purl.obolibrary.org/obo/PROCO_0000250 ditetragonal-pyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 8-faced tetragonal form with polar point and enantiomorphic point symmetry http://purl.obolibrary.org/obo/PROCO_0000251 tetragonal-scalenohedral http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 8-faced (tetragonal) or 12-faced (hexagonal) closed tetragonal form with non-centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000252 ditetragonal-dipyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 16-faced form tetragonal crystal form with centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000253 trigonal-pyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 3-faced form where all faces are related by a 3-fold rotation axis with polar point and enantiomorphic point symmetry. http://purl.obolibrary.org/obo/PROCO_0000254 rhombohedral http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 6 faced closed rhombohedral form of six identical faces in which none of the intersection edges is perpendicular and having centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000255 trigonal-trapezohedral http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 6-, 8-, 12-, or 24-trapezohedral faced closed trigonal form with enantiomorphic point symmetry http://purl.obolibrary.org/obo/PROCO_0000256 ditrigonal-pyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 6-faced trigonal form where all faces are related by a 3-fold rotational axis with polar point symmetry. http://purl.obolibrary.org/obo/PROCO_0000257 ditrigonal-scalenohedral http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 8-faced (tetragonal) or 12-faced (hexagonal) closed form in which the faces are grouped in symmetrical pairs with centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000258 hexagonal-pyrimidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 6-faced form where all faces are related by a 6 axis having polar point and enantiomorphic point symmetry. http://purl.obolibrary.org/obo/PROCO_0000259 trigonal-dipyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 6-faced hexagonal form with faces related by a 3-fold axis with a perpendicular mirror plane having non-centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000260 hexagonal-dipyrimidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 12-faced hexagonal form with faces related by a 6-fold axis with a perpendicular mirror with a centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000261 hexagonal-trapezohedral http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 6-faced closed hexagonal form with enantiomorphic point symmetry. http://purl.obolibrary.org/obo/PROCO_0000262 dihexagonal-pyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 12-faced hexagonal crystal where all faces are related by a 6-fold axis. It has polar point symmetry http://purl.obolibrary.org/obo/PROCO_0000263 ditrigonal-dipyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 12-faced form tetragonal crystal class with non-centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000264 dihexagonal-dipyramidal http://purl.obolibrary.org/obo/PROCO_0000152 point group symmetry 24-faced form with faces related by a 6-fold axis with a perpendicular mirror plane and centrosymmetric point symmetry http://purl.obolibrary.org/obo/PROCO_0000265 ICH Q3A Impurities in New Drug Substances http://purl.obolibrary.org/obo/PROCO_0000136 ICH Guideline An ICH guideline about identifying, qualifying and specifying impurities in drug substance. http://purl.obolibrary.org/obo/PROCO_0000266 ICH Q3C Residual Solvents http://purl.obolibrary.org/obo/PROCO_0000136 ICH Guideline An ICH guideline for the use residual solvents (organic volatile impurities) in the manufacture of drug substances and dosage forms, and sets pharmaceutical limits for in drug products. http://purl.obolibrary.org/obo/PROCO_0000267 ICH Q3D Guidance for Elemental Impurities http://purl.obolibrary.org/obo/PROCO_0000136 ICH Guideline An ICH guideline for the control of elemental impurities in new drug products (medicinal products), establishing Permitted Daily Exposures (PDEs) for 24 Elemental Impurities (EIs) for drug products administered by the oral, parenteral and inhalation routes of administration. http://purl.obolibrary.org/obo/PROCO_0000268 ICH Q6A Specifications: Test Procedures and Acceptance Criteria for Chemical Substances http://purl.obolibrary.org/obo/PROCO_0000136 ICH Guideline An ICH guidance on the setting and justification of acceptance criteria and the selection of test procedures for new drug substances of synthetic chemical origin, and new drug products produced from them, which have not been registered previously in the ICH regions. http://purl.obolibrary.org/obo/PROCO_0000269 Q7 Good Manufacturing Practice Guide for Active Pharmaceutical Ingredients http://purl.obolibrary.org/obo/PROCO_0000136 ICH Guideline An ICH Guideline for the manufacture of APIs for use in human drug (medicinal) products. http://purl.obolibrary.org/obo/PROCO_0000271 ICH Q6A Class 1 Solvent http://purl.obolibrary.org/obo/PROCO_0000270 residual solvent impurity Solvents to be avoided and with strict low limits as they are human carcinogens, strongly suspected human carcinogens, and environmental hazards. http://purl.obolibrary.org/obo/PROCO_0000272 ICH Q6A Class 2 Solvent http://purl.obolibrary.org/obo/PROCO_0000270 residual solvent impurity Solvents to be limited non-genotoxic animal carcinogens or possible causative agents of other irreversible toxicity such as neurotoxicity or teratogenicity. Solvents suspected of other significant but reversible toxicities http://purl.obolibrary.org/obo/PROCO_0000273 ICH Q6A Class 3 Solvent http://purl.obolibrary.org/obo/PROCO_0000270 residual solvent impurity Class 3 solvents: Solvents with low toxic potential Solvents with low toxic potential to man; no health-based exposure limit is needed. Class 3 solvents have PDEs of 50 mg or more per day. http://purl.obolibrary.org/obo/PROCO_0000274 Permitted Daily Exposure http://purl.obolibrary.org/obo/IAO_0000005 objective specification The maximum acceptable intake per day of residual solvent in pharmaceutical products http://purl.obolibrary.org/obo/PROCO_0000275 one-factor-at-a-time experimental design http://purl.obolibrary.org/obo/PROCO_0000276 experimental design An experimental design involving the testing of factors, or causes, one at a time instead of multiple factors simultaneously. http://purl.obolibrary.org/obo/PROCO_0000276 experimental design http://purl.obolibrary.org/obo/IAO_0000104 plan specification The design of an experiment intended to test a hypothesis, and describe or explain empirical data obtained under various experimental conditions. http://purl.obolibrary.org/obo/PROCO_0000277 explosion http://purl.obolibrary.org/obo/BFO_0000015 process A process during which a material entity undergoes a rapid increase in volume, releasing gasses and various forms of energy, often including thermal, light and sound energy. http://purl.obolibrary.org/obo/PROCO_0000278 process safety http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process of understanding of the hazards of a chemical process and developing methods to safely manage and minimize the risks of the process. http://purl.obolibrary.org/obo/PROCO_0000279 Box–Behnken design http://purl.obolibrary.org/obo/PROCO_0000276 experimental design An experimental design to produce a response curve sufficient to fit quadratic models of the individual factors http://purl.obolibrary.org/obo/PROCO_0000280 Central Composite Design http://purl.obolibrary.org/obo/PROCO_0000276 experimental design An experimental design consisting of three distinct sets of experimental runs: A factorial (perhaps fractional) design in the factors studied, each having two levels; A set of center points, experimental runs whose values of each factor are the medians of the values used in the factorial portion. This point is often replicated in order to improve the precision of the experiment; A set of axial points, experimental runs identical to the centre points except for one factor, which will take on values both below and above the median of the two factorial levels, and typically both outside their range. All factors are varied in this way. http://purl.obolibrary.org/obo/PROCO_0000281 laboratory notebook experiment identifier http://purl.obolibrary.org/obo/IAO_0000578 centrally registered identifier A centrally registered identifier assigned to a laboratory notebook experiment http://purl.obolibrary.org/obo/PROCO_0000285 solubility screening design http://purl.obolibrary.org/obo/PROCO_0000091 screening design A screening design to determine to solubility of a compound http://purl.obolibrary.org/obo/PROCO_0000286 competency question http://purl.obolibrary.org/obo/IAO_0000102 data about an ontology part An objective specification for an ontology in the form of a user-focused question / query that identifies key concepts and their relationships that are normally formalized in first order logic of the ontology. They are also used to test the ontology by querying known instance data or by entailment on its axioms. http://purl.obolibrary.org/obo/PROCO_0000287 material costs http://purl.obolibrary.org/obo/PROCO_0000295 process chemistry datum A process chemistry datum quantifying the sum of the costs of all raw materials, intermediates, reagents, solvents and catalysts procured from external vendor. http://purl.obolibrary.org/obo/PROCO_0000288 waste stream http://purl.obolibrary.org/obo/CHMO_0000993 portion of material A portion of material with a debris role that is a material output of a process. http://purl.obolibrary.org/obo/PROCO_0000289 product stream http://purl.obolibrary.org/obo/CHMO_0000993 portion of material A portion of material to be further processed that has an ingredient a material with the role of product. http://purl.obolibrary.org/obo/PROCO_0000290 Control Strategy http://purl.obolibrary.org/obo/IAO_0000033 directive information entity A planned set of controls, derived from current product and process understanding that ensures process performance and product quality. The controls can include parameters and attributes related to drug substance and drug product materials and components, facility and equipment operating conditions, in-process controls, finished product specifications, and the associated methods and frequency of monitoring and control. http://purl.obolibrary.org/obo/PROCO_0000291 risk assessment http://purl.obolibrary.org/obo/IAO_0000310 document A document identifying and analyzing potential (future) events that may negatively impact individuals, assets, and/or the environment (i.e. hazard analysis); and making judgments "on the tolerability of the risk on the basis of a risk analysis" while considering influencing factors (i.e. risk evaluation). http://purl.obolibrary.org/obo/PROCO_0000293 calculation http://purl.obolibrary.org/obo/OBI_0000011 planned process A planned process that converts input data into output data based on some equation or set of equations http://purl.obolibrary.org/obo/PROCO_0000294 calculated datum http://purl.obolibrary.org/obo/IAO_0000027 data item A data item that is a recording of the output of a calculation. http://purl.obolibrary.org/obo/PROCO_0000295 process chemistry datum http://purl.obolibrary.org/obo/IAO_0000027 data item A data item about process chemistry http://purl.obolibrary.org/obo/PROCO_0000296 chemometrics http://purl.obolibrary.org/obo/PROCO_0000159 in-silico modeling A planned process of extracting information from chemical systems by data-driven means. http://purl.obolibrary.org/obo/PROCO_0000297 factorial analysis http://purl.obolibrary.org/obo/PROCO_0000296 chemometrics Chemometric method used to describe variability among observed, correlated variables in terms of a potentially lower number of unobserved variables called factors. . The observed variables are modelled as linear combinations of the potential factors, plus "error" terms. http://purl.obolibrary.org/obo/PROCO_0000299 critical process parameter http://purl.obolibrary.org/obo/BFO_0000144 process profile A process profile whose variability has an impact on a critical quality attribute and therefore should be monitored or controlled to ensure the process produces the desired quality. http://purl.obolibrary.org/obo/PROCO_0000301 multi-parallel experimentation http://purl.obolibrary.org/obo/OBI_0000066 investigation A form of experimentation in which many related experiments (different conditions on the same compound or the same conditions on multiple compounds) are done simultaneously, typically in a well-plate platform. http://purl.obolibrary.org/obo/PROCO_0000302 Arhennius equation http://purl.obolibrary.org/obo/PROCO_0000006 equation An equation for the temperature dependence of reaction rates used in determining rate of chemical reactions and for calculation of energy of activation. http://purl.obolibrary.org/obo/CHEBI_143130 impurity http://purl.obolibrary.org/obo/CHEBI_51086 chemical role A chemical role played by any unwanted chemical substance inside a confined amount of liquid, gas, or solid, which differs from the chemical composition of the material or compound. For example, an impurity can be an undesired by-product of a chemical reaction or manufacturing process, a drug contaminant, or can be created upon degradation during storage. http://purl.obolibrary.org/obo/CHEBI_166831 copper chelator http://purl.obolibrary.org/obo/CHEBI_38161 chelator A chelator that is any compound containing a ligand (typically organic) which is able to form a bond to a central copper atom at two or more points. http://purl.obolibrary.org/obo/CHMO_0000993 portion of material http://purl.obolibrary.org/obo/BFO_0000040 material entity An independent material continuant that is self-connected and retains its identity over time. http://purl.obolibrary.org/obo/CHMO_0000997 chromatography column http://purl.obolibrary.org/obo/OBI_0000968 device A piece of apparatus that has the form of a tube with a diameter between 5 to 50 mm and hosts the stationary bed in chromatography. http://purl.obolibrary.org/obo/CHMO_0000999 separation method http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing A method that results in the separation of two or more components according to some property. http://purl.obolibrary.org/obo/CHMO_0001000 chromatography http://purl.obolibrary.org/obo/CHMO_0000999 separation method A separation method where the components are distributed between two phases, one of which is stationary, while the other moves in a definite direction. http://purl.obolibrary.org/obo/CHMO_0001001 column chromatography http://purl.obolibrary.org/obo/CHMO_0001000 chromatography A chromatography method where the stationary bed is within a tube (of standard length 25 cm). The particles of the solid stationary phase or support coated with a liquid stationary phase may fill the whole inside volume of the tube (packed column) or be concentrated on or along the inside tube wall leaving an open, unrestricted path for the mobile phase in the middle part of the tube (open-tubular column). http://purl.obolibrary.org/obo/CHMO_0001006 affinity chromatography http://purl.obolibrary.org/obo/CHMO_0001001 column chromatography Chromatography where the separation is caused by differing biological specificity of the analyte-ligand interactions. http://purl.obolibrary.org/obo/CHMO_0001128 adsorption chromatography http://purl.obolibrary.org/obo/CHMO_0001000 chromatography Chromatography in which separation is based mainly on differences between the adsorption affinities of the sample components for the surface of an active solid. http://purl.obolibrary.org/obo/CHMO_0001129 displacement chromatography http://purl.obolibrary.org/obo/CHMO_0001000 chromatography Chromatography where the mobile phase contains a compound (the displacer) more strongly retained than the components of the sample under examination. The sample is fed into the system as a finite slug. http://purl.obolibrary.org/obo/CHMO_0001301 synthesis method http://purl.obolibrary.org/obo/OBI_0000094 material processing A method used to synthesise a sample. http://purl.obolibrary.org/obo/CHMO_0001310 sample deposition http://purl.obolibrary.org/obo/CHMO_0001301 synthesis method The process of the settling of particles (atoms or molecules) from a solution, suspension or vapour onto a pre-existing surface, resulting in the growth of a new phase. http://purl.obolibrary.org/obo/CHMO_0001387 ionothermal synthesis http://purl.obolibrary.org/obo/CHMO_0001301 synthesis method A synthesis method for growing single crystals from an ionic liquid in an autoclave (a thick-walled steel vessel) at high temperature (400 °C) and pressure. http://purl.obolibrary.org/obo/CHMO_0001458 solvothermal synthesis http://purl.obolibrary.org/obo/CHMO_0001301 synthesis method A synthesis method for growing single crystals from a non-aqueous solution in an autoclave (a thick-walled steel vessel) at high temperature (400 °C) and pressure. http://purl.obolibrary.org/obo/CHMO_0001464 ageing http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing Any time-dependent change of the properties of a precipitate e.g. loss of water or growth of crystals as a result of prolonged heat treatment. http://purl.obolibrary.org/obo/CHMO_0001465 annealing http://purl.obolibrary.org/obo/CHMO_0002770 sample heating A heat treatment that alters the microstructure of a material causing changes in its properties such as strength and hardness http://purl.obolibrary.org/obo/CHMO_0001477 crystallisation http://purl.obolibrary.org/obo/CHMO_0002916 sample solidification The formation of a crystalline solid from a solution, melt vapour, or a different solid phase, generally by lowering the temperature or by evaporation of a solvent. http://purl.obolibrary.org/obo/CHMO_0001478 cocrystallisation http://purl.obolibrary.org/obo/CHMO_0001477 crystallisation The simultaneous crystallisation of two different substances or two different structural elements of the same substance. http://purl.obolibrary.org/obo/CHMO_0001479 fractional crystallisation http://purl.obolibrary.org/obo/CHMO_0001477 crystallisation The stepwise crystallisation of two or more different substances induced by changes in concentration or temperature. The sample is mixed with a solvent, heated, and then gradually cooled so that, as each of its constituent components crystallises, it can be removed in its pure form from the solution. http://purl.obolibrary.org/obo/CHMO_0001532 distillation http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. The components in a sample mixture are vaporised by the application of heat and then cooled by the action of cold water in a condenser. http://purl.obolibrary.org/obo/CHMO_0001533 batch distillation http://purl.obolibrary.org/obo/CHMO_0001532 distillation A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. The components in a sample mixture are vaporised by the application of heat and then cooled by the action of cold water in a condenser. Distillation is completed before more sample mixture is added. http://purl.obolibrary.org/obo/CHMO_0001534 continuous distillation http://purl.obolibrary.org/obo/CHMO_0001532 distillation A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. The components in a sample mixture are vaporised by the application of heat and then cooled by the action of cold water in a condenser. The distillation is ongoing with sample mixture being continuously added. http://purl.obolibrary.org/obo/CHMO_0001535 extractive distillation http://purl.obolibrary.org/obo/CHMO_0001532 distillation A method of separating two components of very similar boiling point from a mixture. A third, miscible and high-boiling-point solvent is added to the mixture which causes a change in the volatilities of the components. These components are then vaporised by the application of heat and cooled by the action of cold water in a condenser. http://purl.obolibrary.org/obo/CHMO_0001536 fractional distillation http://purl.obolibrary.org/obo/CHMO_0001532 distillation A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. As the sample mixture to be purified is heated, its vapours rise into a condenser where they are cooled by water. The vapours stick to the inside surface of the condenser where they continue to be heated until they vaporise again. http://purl.obolibrary.org/obo/CHMO_0001537 reactive distillation http://purl.obolibrary.org/obo/CHMO_0001532 distillation A method of separating a lower-boiling-point product from its reactants in a reaction mixture. The product is vaporised by the application of heat and then cooled by the action of cold water in a condenser. http://purl.obolibrary.org/obo/CHMO_0001538 simple distillation http://purl.obolibrary.org/obo/CHMO_0001532 distillation A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. The components in a sample mixture are vaporised by the application of heat and then immediately cooled by the action of cold water in a condenser. This method can only be used to separate mixtures where the components differ widely in boiling point (by approx. 25°). http://purl.obolibrary.org/obo/CHMO_0001539 steam distillation http://purl.obolibrary.org/obo/CHMO_0001532 distillation A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. The components in a sample mixture are vaporised by bubbling steam through it and then cooled by the action of cold water in a condenser. http://purl.obolibrary.org/obo/CHMO_0001540 vacuum distillation http://purl.obolibrary.org/obo/CHMO_0001532 distillation A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. The components in a high-boiling-point sample mixture are vaporised by the application of heat at low pressure and then cooled by the action of cold water in a condenser. http://purl.obolibrary.org/obo/CHMO_0001541 air-sensitive vacuum distillation http://purl.obolibrary.org/obo/CHMO_0001540 vacuum distillation A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. The components in a high-boiling-point sample mixture are vaporised by the application of heat at low pressure and then cooled by the action of cold water in a condenser. The vacuum is replaced by an inert gas once the distillation is complete. http://purl.obolibrary.org/obo/CHMO_0001542 molecular distillation http://purl.obolibrary.org/obo/CHMO_0001540 vacuum distillation A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. The components in a high-boiling-point sample mixture are vaporised by the application of heat at low pressure (< 0.01 Torr) and then cooled by the action of cold water in a condenser. http://purl.obolibrary.org/obo/CHMO_0001549 sample drying http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing The process of removing a solvent from a substance. http://purl.obolibrary.org/obo/CHMO_0001550 dielectric drying http://purl.obolibrary.org/obo/CHMO_0001549 sample drying The removal of solvent from a sample by the application of radio frequency (3 Hz to 300 GHz) or microwave (1–1000 mm) radiation. http://purl.obolibrary.org/obo/CHMO_0001551 direct drying http://purl.obolibrary.org/obo/CHMO_0002124 blow drying The removal of solvent from a sample by the application of heated air. http://purl.obolibrary.org/obo/CHMO_0001552 drum drying http://purl.obolibrary.org/obo/CHMO_0001549 sample drying The removal of solvent from a sample by applying it as a thin layer to the surface of a heated drum. http://purl.obolibrary.org/obo/CHMO_0001553 freeze drying http://purl.obolibrary.org/obo/CHMO_0001549 sample drying The removal of solvent from a sample without passing through the liquid–gas boundary. The sample is frozen at liquid nitrogen temperature (-80 °C) then the surrounding pressure is reduced to allow the water in the sample to sublime. http://purl.obolibrary.org/obo/CHMO_0001554 oven drying http://purl.obolibrary.org/obo/CHMO_0001549 sample drying The removal of solvent from a sample by heating in an oven. http://purl.obolibrary.org/obo/CHMO_0001555 spray drying http://purl.obolibrary.org/obo/CHMO_0001549 sample drying The removal of water from a liquid sample by pumping it through an atomiser (to produce a spray of fine droplets) then passing a hot gas (e.g. air or N2) through it. http://purl.obolibrary.org/obo/CHMO_0001556 supercritical drying http://purl.obolibrary.org/obo/CHMO_0001549 sample drying The removal of solvent from a sample without passing through the liquid–gas boundary, by immersion in a supercritical fluid and de-pressurisation. http://purl.obolibrary.org/obo/CHMO_0001557 vacuum drying http://purl.obolibrary.org/obo/CHMO_0001549 sample drying The removal of water from a sample by placing it under reduced pressure. This allows water to evaporate from (heat-sensitive) samples at a lower temperature. http://purl.obolibrary.org/obo/CHMO_0001574 evaporation http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing The physical process by which a liquid substance is converted to a gas or vapour. This may occur at or below the normal boiling point of the liquid (the temperature at which a liquid boils at 1 atmosphere pressure) and the process is endothermic. http://purl.obolibrary.org/obo/CHMO_0001575 centrifugal evaporation http://purl.obolibrary.org/obo/CHMO_0002208 solvent evaporation The evaporation of solvent from a sample by placing it a centrifuge and spinning it rapidly. http://purl.obolibrary.org/obo/CHMO_0001576 rotary evaporation http://purl.obolibrary.org/obo/CHMO_0002208 solvent evaporation The removal of solvent from a sample by applying heat and lowering the pressure above the sample whilst rotating it at 10–300 rpm. http://purl.obolibrary.org/obo/CHMO_0001577 extraction http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing The transfer of a solute from a liquid phase to another immiscible or partially-miscible liquid phase in contact with it. http://purl.obolibrary.org/obo/CHMO_0001578 coextraction http://purl.obolibrary.org/obo/CHMO_0001577 extraction The transfer of two solutes from a liquid phase to a (low-polarity) organic liquid phase in contact with it. The solutes form mixed-species aggregates in the organic phase. http://purl.obolibrary.org/obo/CHMO_0001583 liquid-solid extraction http://purl.obolibrary.org/obo/CHMO_0001577 extraction The process of transferring a substance from a liquid to a solid phase by passing the liquid sample through a stationary phase (e.g. silica particles). http://purl.obolibrary.org/obo/CHMO_0001593 membrane extraction http://purl.obolibrary.org/obo/CHMO_0001577 extraction The transfer of a solute from one phase (the 'donor' or 'feed' phase) to another (the 'acceptor' or 'strip' phase) across a nonporous membrane. http://purl.obolibrary.org/obo/CHMO_0001594 membrane extraction with a sorbent interface http://purl.obolibrary.org/obo/CHMO_0001593 membrane extraction The transfer of a solute from one phase (the 'donor' or 'feed' phase) to another (the 'acceptor' or 'strip' phase) across a non-porous non-polar polymer membrane. The membrane first extracts the analytes from their matrix, and these are subsequently trapped on a polymeric trap with a porous sorbent using a carrier gas stream. http://purl.obolibrary.org/obo/CHMO_0001595 polymeric membrane extraction http://purl.obolibrary.org/obo/CHMO_0001593 membrane extraction The transfer of a solute from one phase (the 'donor' or 'feed' phase) to another (the 'acceptor' or 'strip' phase) across a nonporous sillicon rubber membrane. http://purl.obolibrary.org/obo/CHMO_0001596 supported liquid membrane extraction http://purl.obolibrary.org/obo/CHMO_0001593 membrane extraction The transfer of a solute from one phase (the 'donor' or 'feed' phase) to another (the 'acceptor' or 'strip' phase) across a non-porous liquid membrane. http://purl.obolibrary.org/obo/CHMO_0001597 sequentional extraction http://purl.obolibrary.org/obo/CHMO_0001577 extraction An analytical process that sequentially chemically leaches metals from soils, sludges or sediments. http://purl.obolibrary.org/obo/CHMO_0001598 solvent extraction http://purl.obolibrary.org/obo/CHMO_0001577 extraction The process of transferring a substance from any matrix to an appropriate liquid phase. http://purl.obolibrary.org/obo/CHMO_0001599 gas–liquid extraction http://purl.obolibrary.org/obo/CHMO_0001598 solvent extraction A flotation process in which the material of interest, adsorbed on the surface of gas bubbles in a liquid, is collected on an upper layer of immiscible liquid. http://purl.obolibrary.org/obo/CHMO_0001600 liquid–liquid extraction http://purl.obolibrary.org/obo/CHMO_0001598 solvent extraction The process of transferring a dissolved substance from one liquid phase to another (immiscible or partially miscible) liquid phase in contact with it. http://purl.obolibrary.org/obo/CHMO_0001601 cloud-point extraction http://purl.obolibrary.org/obo/CHMO_0001600 liquid–liquid extraction The process of transferring a non-ionic surfactant from one liquid phase to another by heating. As the temperature of the solution rises, the surfactant molecules form micelles, if the temperature increases above the cloud point (CPT) the micelles become dehydrated and aggregate. This leads to macroscopic phase separation of the solution into a surfactant-rich phase and a solvent phase. http://purl.obolibrary.org/obo/CHMO_0001604 pressurised-fluid extraction http://purl.obolibrary.org/obo/CHMO_0001600 liquid–liquid extraction The process of transferring a dissolved substance from one liquid phase to another (immiscible or partially miscible) liquid phase in contact with it using solvents at elevated temperature (50–200 °C) and pressure (7–20 MPa). http://purl.obolibrary.org/obo/CHMO_0001606 shake-flask extraction http://purl.obolibrary.org/obo/CHMO_0001598 solvent extraction The process of transferring a substance from any matrix to an appropriate liquid phase, during which the sample and solvent are kept in contact in a mechanical shaker. http://purl.obolibrary.org/obo/CHMO_0001607 solid–liquid extraction http://purl.obolibrary.org/obo/CHMO_0001598 solvent extraction The process of transferring the soluble components of a solid to the liquid phase using a solvent. http://purl.obolibrary.org/obo/CHMO_0001610 supercritical fluid extraction http://purl.obolibrary.org/obo/CHMO_0001598 solvent extraction The process of transferring a substance from any matrix to a liquid phase using a supercritical fluid. http://purl.obolibrary.org/obo/CHMO_0001612 substoichiometric extraction http://purl.obolibrary.org/obo/CHMO_0001577 extraction The process of transferring a substance from any matrix to another where the amount of reagent used is lower than that dictated by stoichiometry. http://purl.obolibrary.org/obo/CHMO_0001624 fermentation http://purl.obolibrary.org/obo/OBI_0000094 material processing The process in which cells (microorganisms, plant or animal cells) are cultured in a bioreactor in a liquid or solid medium to convert organic substances into biomass (growth) or into products. http://purl.obolibrary.org/obo/CHMO_0001625 fractionation http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing The process of dividing up a sample mixture into smaller quantities according to their physical (e.g. size, solubility) or chemical (e.g. bonding, reactivity) properties. http://purl.obolibrary.org/obo/CHMO_0001636 foam fractionation http://purl.obolibrary.org/obo/CHMO_0001625 fractionation A method of separation in which a component of the bulk liquid is preferentially adsorbed at the liquid–vapour interface and is removed by foaming. http://purl.obolibrary.org/obo/CHMO_0001637 freeze distillation http://purl.obolibrary.org/obo/CHMO_0001625 fractionation The process of enriching a solution by partially freezing it and removing frozen material that contains less of the dissolved material than the remaining solution. http://purl.obolibrary.org/obo/CHMO_0001640 filtration http://purl.obolibrary.org/obo/CHMO_0002231 purification The process of segregation of phases; the separation of suspended solids from a liquid or gas, usually by forcing a carrier gas or liquid through a porous medium. http://purl.obolibrary.org/obo/CHMO_0001641 micro-filtration http://purl.obolibrary.org/obo/CHMO_0001640 filtration A pressure-driven membrane-based separation process in which particles and dissolved macromolecules larger than 0.1 micrometre are rejected. http://purl.obolibrary.org/obo/CHMO_0001642 nano-filtration http://purl.obolibrary.org/obo/CHMO_0001640 filtration A pressure-driven membrane-based separation process in which particles and dissolved macromolecules larger 200 Da are rejected. http://purl.obolibrary.org/obo/CHMO_0001643 reverse osmosis http://purl.obolibrary.org/obo/CHMO_0001640 filtration A separation process which involves using pressure to force a solution through a membrane, retaining the solute on one side and allowing the pure solvent to pass to the other side. (This is the reverse of the normal osmosis process, which is the natural movement of solvent from an area of low solute concentration, through a membrane, to an area of high solute concentration.) http://purl.obolibrary.org/obo/CHMO_0001644 suction filtration http://purl.obolibrary.org/obo/CHMO_0001640 filtration The separation of a solid phase from a liquid phase by passing the sample through a porous medium under pressure. http://purl.obolibrary.org/obo/CHMO_0001645 ultra-filtration http://purl.obolibrary.org/obo/CHMO_0001640 filtration A separation process whereby a solution containing a solute of molecular size significantly greater than that of the solvent molecule is removed from the solvent by the application of hydraulic pressure which forces only the solvent to flow through a suitable membrane, usually having a pore size in the range 0.001–0.1 \μm. http://purl.obolibrary.org/obo/CHMO_0001652 grinding http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing The mechanical reduction of the particle size of a solid sample by attribution (friction), impact or cutting. http://purl.obolibrary.org/obo/CHMO_0001653 liquid-assisted grinding http://purl.obolibrary.org/obo/CHMO_0001652 grinding The mechanical reduction of the particle size of a solid sample by attribution (friction), impact or cutting in the presence of a small amount of solvent. http://purl.obolibrary.org/obo/CHMO_0001654 ball milling http://purl.obolibrary.org/obo/CHMO_0001652 grinding The mechanical reduction of the particle size of a solid sample by grinding with one or more inert balls (ceramic, flint, or stainless steel, 2–8 mm diameter) rotating around a horizontal axis. http://purl.obolibrary.org/obo/CHMO_0001655 high-speed ball milling http://purl.obolibrary.org/obo/CHMO_0001654 ball milling The mechanical reduction of the particle size of a solid sample by grinding with one or more inert balls (ceramic, flint or stainless steel, 2–8 mm diameter) rotating at high speed around a horizontal axis. A high-speed agitator is used to increase the speed of the balls. http://purl.obolibrary.org/obo/CHMO_0001656 high-energy ball milling http://purl.obolibrary.org/obo/CHMO_0001654 ball milling The mechanical reduction of the particle size of a solid sample by grinding with one or more inert balls (ceramic, flint or stainless steel, 2–8 mm diameter) rotating at high speed (up to 650 rpm) around a horizontal axis. A high-speed agitator is used to increase the speed of the balls which are held in vacuum or in an inert gas (e.g. Ar). http://purl.obolibrary.org/obo/CHMO_0001657 wet grinding http://purl.obolibrary.org/obo/CHMO_0001652 grinding The mechanical reduction of the particle size of a solid sample by attribution (friction), impact or cutting in the presence of a small amount of liquid (which is not a solvent for the solid). http://purl.obolibrary.org/obo/CHMO_0001685 mixing http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing The combining of components, particles or layers into a more homogeneous state. The mixing may be achieved manually or mechanically by shifting the material with stirrers or pumps or by revolving or shaking the container. The process μst not permit segregation of particles of different size or properties. Homogeneity may be considered to have been achieved in a practical sense when the sampling error of the processed portion is negligible compared to the total error of the measurement system. http://purl.obolibrary.org/obo/CHMO_0001686 Ostwald ripening http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing The growth of larger crystals from those of smaller size, which have a higher solubility than the larger ones. http://purl.obolibrary.org/obo/CHMO_0001688 precipitation http://purl.obolibrary.org/obo/CHMO_0002916 sample solidification The sedimentation of a solid material (a 'precipitate') from a liquid solution in which the material is present in amounts greater than its solubility in the liquid. http://purl.obolibrary.org/obo/CHMO_0001689 affinity precipitation http://purl.obolibrary.org/obo/CHMO_0001688 precipitation The selective sedimentation of a solid material (a 'precipitate') from a liquid sample containing a ligand and a target protein. The precipitate evolves after the application of a suitable stimulus (e.g. Ca2+ or Ba2+). http://purl.obolibrary.org/obo/CHMO_0001690 co-precipitation http://purl.obolibrary.org/obo/CHMO_0001688 precipitation The simultaneous precipitation of a normally soluble component with a macro-component from the same solution by the formation of mixed crystals, by adsorption, occlusion or mechanical entrapment. http://purl.obolibrary.org/obo/CHMO_0001696 postprecipitation http://purl.obolibrary.org/obo/CHMO_0001688 precipitation The subsequent precipitation of a chemically different species upon the surface of an initial precipitate usually, but not necessarily, including a common ion. http://purl.obolibrary.org/obo/CHMO_0001697 reprecipitation http://purl.obolibrary.org/obo/CHMO_0001688 precipitation The planned repetition of a precipitation to remove impurities from a precipitate or improve its stoichiometry. http://purl.obolibrary.org/obo/CHMO_0001904 supercritical fluid method http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing Any material processing method that uses a supercritical fluid. http://purl.obolibrary.org/obo/CHMO_0001905 supercritical antisolvent technique http://purl.obolibrary.org/obo/CHMO_0001904 supercritical fluid method A solid sample is dissolved in a common (organic or inorganic) solvent then injected into a supercritical fluid (held under pressure) resulting in a large decrease in solution density. This effect leads to the reduction in solubility of the solid and precipitation. http://purl.obolibrary.org/obo/CHMO_0001945 gas antisolvent technique http://purl.obolibrary.org/obo/CHMO_0001904 supercritical fluid method A technique where a solid sample is first partially dissolved in a organic solvent in a vessel. The solution is then pressurised with a dense gas or supercritical fluid resulting in precipitation of the solid as a fine powder. http://purl.obolibrary.org/obo/CHMO_0001947 precipitation with compressed antisolvent http://purl.obolibrary.org/obo/CHMO_0001905 supercritical antisolvent technique A technique where a solid sample is dissolved in a common (organic or inorganic) solvent then sprayed into a vessel pressurised with a dense gas (e.g. supercritical CO2) This results in a large decrease in solution density and precipitation. http://purl.obolibrary.org/obo/CHMO_0001987 supercritical carbon dioxide drying http://purl.obolibrary.org/obo/CHMO_0001556 supercritical drying The removal of solvent from a sample without passing through the liquid–gas boundary, by immersion in supercritical CO2 and de-pressurisation. http://purl.obolibrary.org/obo/CHMO_0001989 ethanol extraction http://purl.obolibrary.org/obo/CHMO_0001598 solvent extraction The process of transferring a substance from any matrix into ethanol. http://purl.obolibrary.org/obo/CHMO_0002011 sequential centrifugation http://purl.obolibrary.org/obo/OBI_0302886 centrifugation A separation method where the components of a sample are separated on the basis of their density in a centrifuge according to the centrifugal force they experience. The sample is centrifuged in a number of separate, sequential steps. http://purl.obolibrary.org/obo/CHMO_0002012 low-speed centrifugation http://purl.obolibrary.org/obo/OBI_0302886 centrifugation A separation method where the components of a sample are separated on the basis of their density in a centrifuge according to the centrifugal force they experience. Samples are spun at <5000 rpm. http://purl.obolibrary.org/obo/CHMO_0002014 preparative centrifugation http://purl.obolibrary.org/obo/OBI_0302886 centrifugation A method where a sample is purified by removing impurities on the basis of their density in a centrifuge. http://purl.obolibrary.org/obo/CHMO_0002015 differential centrifugation http://purl.obolibrary.org/obo/CHMO_0002011 sequential centrifugation A separation method where the components of a cell are separated on the basis of their density in a centrifuge according to the centrifugal force they experience. The sample is centrifuged in a number of separate, sequential steps; each time the pellet is removed and the speed increased. http://purl.obolibrary.org/obo/CHMO_0002020 homogenisation http://purl.obolibrary.org/obo/CHMO_0001685 mixing The intensive mixing of μtually insoluble phases (sometimes with addition of surfactants) to obtain a soluble suspension or emulsion. http://purl.obolibrary.org/obo/CHMO_0002066 trituration http://purl.obolibrary.org/obo/CHMO_0002231 purification Purification of crude chemical compounds containing solid impurities where a solvent is chosen in which the desired product is insoluble and the undesired by-products are very soluble (or vice versa). The crude material is washed with the solvent and filtered away, leaving the purified product in solid form and any impurities in solution. http://purl.obolibrary.org/obo/CHMO_0002106 physical blending http://purl.obolibrary.org/obo/CHMO_0001685 mixing The process of making a polymer blend by mechanically mixing different polymers together in the melt. http://purl.obolibrary.org/obo/CHMO_0002124 blow drying http://purl.obolibrary.org/obo/CHMO_0001549 sample drying The removal of solvent from a sample by the application of an inert gas or air. http://purl.obolibrary.org/obo/CHMO_0002157 deionisation method http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing The removal of ions from a solution using an ion-exchange method. http://purl.obolibrary.org/obo/CHMO_0002158 Czochralski process http://purl.obolibrary.org/obo/CHMO_0002224 crystal growth method A method of producing large single crystals (of semiconductors or metals) by inserting a small seed crystal into a crucible filled with similar molten material, then slowly pulling the seed up from the melt while rotating it. http://purl.obolibrary.org/obo/CHMO_0002159 Verneuil process http://purl.obolibrary.org/obo/CHMO_0002224 crystal growth method A method for preparing synthetic gemstones. A finely powdered sample is melted in an hydrogen-oxygen flame (2000 °C) and crystallising the melted droplets on a boule (a single crystal). http://purl.obolibrary.org/obo/CHMO_0002160 Bridgeman technique http://purl.obolibrary.org/obo/CHMO_0002224 crystal growth method A method of growing a single crystal 'ingot' or 'boule'. The polycrystalline sample is heated in a container above its melting point and slowly cooled from one end where a seed crystal is located. Single crystal material is then progressively formed along the length of the container. http://purl.obolibrary.org/obo/CHMO_0002198 recrystallisation http://purl.obolibrary.org/obo/CHMO_0001477 crystallisation A technique for purifying a crystalline sample where the impure sample is dissolved in a small volume of solvent, forming a supersaturated solution. As the temperature of the solution drops, pure crystals form, the impurities remaining dissolved in the solvent. http://purl.obolibrary.org/obo/CHMO_0002208 solvent evaporation http://purl.obolibrary.org/obo/CHMO_0001574 evaporation The removal of solvent from a sample, usually by the application of heat. http://purl.obolibrary.org/obo/CHMO_0002217 sample sublimation http://purl.obolibrary.org/obo/CHMO_0002231 purification Any technique used to purify a sample by forcing it to pass from the solid to gas phase without passing through an intermediate liquid phase. http://purl.obolibrary.org/obo/CHMO_0002218 fractional sublimation http://purl.obolibrary.org/obo/CHMO_0002217 sample sublimation A method for purifying samples by heating the sample under reduced pressure and allowing the fractions to sublime order of increasing sublimation temperature (a function of vapor pressure). http://purl.obolibrary.org/obo/CHMO_0002219 vacuum sublimation http://purl.obolibrary.org/obo/CHMO_0002217 sample sublimation A technique for purifying solid samples by heating the sample under vacuum. The sample sublimes and the vapours condense as a purified compound on a cooled surface, leaving the non-volatile residue impurities behind. http://purl.obolibrary.org/obo/CHMO_0002220 high-vacuum sublimation http://purl.obolibrary.org/obo/CHMO_0002219 vacuum sublimation A technique for purifying solid samples by heating the sample under high vacuum (<0.1 Pa). The sample sublimes and the vapours condense as a purified compound on a cooled surface, leaving the non-volatile residue impurities behind. http://purl.obolibrary.org/obo/CHMO_0002221 Lely method http://purl.obolibrary.org/obo/CHMO_0002224 crystal growth method A method for crystal growth where polycrystalline SiC lumps are carefully packed between two concentric graphite tubes. The inner tube is then withdrawn leaving a porous SiC layer inside the outer tube. The outer tube is then heated (~2500 °C) in Ar, causing the SiC powder to sublime and nucleate on a cooler surface. http://purl.obolibrary.org/obo/CHMO_0002222 seeded sublimation http://purl.obolibrary.org/obo/CHMO_0002224 crystal growth method A technique for growing crystals of SiC by heating a source (polycrystalline SiC or powder) at high temperature (1800-2600 °C) and low pressure in an Ar atmosphere causing it to sublime. The vapours then condense on a single crystal of SiC (the 'seed'). http://purl.obolibrary.org/obo/CHMO_0002223 sandwich sublimation http://purl.obolibrary.org/obo/CHMO_0002222 seeded sublimation A technique for growing thick (micrometre) epitaxial layers of SiC by heating a source (polycrystalline SiC or powder) at high temperature (1800-2600 °C) and low pressure in an Ar atmosphere causing it to sublime. The vapours then condense on a single crystal of SiC (the 'seed') placed a few mm away. http://purl.obolibrary.org/obo/CHMO_0002224 crystal growth method http://purl.obolibrary.org/obo/CHMO_0001310 sample deposition Any synthesis method used to grow crystals. http://purl.obolibrary.org/obo/CHMO_0002225 Acheson method http://purl.obolibrary.org/obo/CHMO_0002224 crystal growth method A method for growing low-purity polycrystalline SiC. A mixture of silica, carbon, sawdust and NaCl is heated to 2700 °C in a furnace, and the temperature gradually decreased. http://purl.obolibrary.org/obo/CHMO_0002231 purification http://purl.obolibrary.org/obo/CHMO_0000999 separation method Any technique used to physically separate an analyte from byproducts, reagents or contaminating substances. http://purl.obolibrary.org/obo/CHMO_0002465 solvent precipitation http://purl.obolibrary.org/obo/CHMO_0001688 precipitation The sedimentation of a solid material (a 'precipitate') from a liquid solution caused by the addition of an additional different solvent. http://purl.obolibrary.org/obo/CHMO_0002466 protein precipitation http://purl.obolibrary.org/obo/CHMO_0001688 precipitation The sedimentation of a solid protein (a 'precipitate') from an aqueous solution caused by the addition of an organic solvent (e.g. methanol), a polyelectrolyte (e.g. alginate) or a salt (e.g. ammonium sulfate) in a process known as 'salting out'. http://purl.obolibrary.org/obo/CHMO_0002523 vapour-phase extraction http://purl.obolibrary.org/obo/CHMO_0001577 extraction The process of transferring a substance from a vapour to a solid phase by passing the vapour sample through a stationary phase (e.g. silica particles) and then desorbing it using a desorbent or carrier gas. http://purl.obolibrary.org/obo/CHMO_0002524 dual-phase extraction http://purl.obolibrary.org/obo/CHMO_0001577 extraction An extraction method for soil samples that uses a high-vacuum system to remove liquid and gas from low-permeability or heterogeneous soil. By removing water from the sample (liquid-phase extraction) the water table is lowered exposing the solid sample to vapor-phase extraction. http://purl.obolibrary.org/obo/CHMO_0002634 azeotropic distillation http://purl.obolibrary.org/obo/CHMO_0001532 distillation A method of separating mixtures based on differences in their volatilities in a boiling liquid mixture. An azeotrope (a mixture of two or more liquids which produces vapor with the same ratio of constituents as the original mixture) cannot be separated by normal distillation, therefore an additional third component (known as an 'entrainer') is added to the mixture. This has the effect of changing the volatility of one of liquids in the azeotrope to a greater extent than the other, allowing separation to occur. http://purl.obolibrary.org/obo/CHMO_0002652 chemical vapour transport http://purl.obolibrary.org/obo/CHMO_0002224 crystal growth method A crystal growth method for metal dichalcogenides in which the starting materials (high purity metal and chalcogen) are placed in a quartz ampoule together with a transport agent (e.g. iodine) and heated in a furnace under a temperature gradient. http://purl.obolibrary.org/obo/CHMO_0002653 surface-assisted chemical vapour transport http://purl.obolibrary.org/obo/CHMO_0002652 chemical vapour transport A crystal growth method for metal dichalcogenides in which the starting materials (high-purity metal and chalcogen powders) are placed in one half of a quartz ampoule together with a transport agent (e.g. iodine) and heated in a furnace under a temperature gradient. The product crystals are grown on the surface of a sheet of high-purity metal in the other half of the ampoule. http://purl.obolibrary.org/obo/CHMO_0002742 elution http://purl.obolibrary.org/obo/CHMO_0001577 extraction A process wherein one material is extracted from another by interaction with a solvent. http://purl.obolibrary.org/obo/CHMO_0002770 sample heating http://purl.obolibrary.org/obo/OBI_0000094 material processing A sample preparation step involving the increase in temperature of a sample. http://purl.obolibrary.org/obo/CHMO_0002771 concentrating http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing A preparative step where the concentration of one component is increased. http://purl.obolibrary.org/obo/CHMO_0002772 degassing http://purl.obolibrary.org/obo/PROCO_0000051 unit operation in chemical processing A preparative step involving the removal of dissolved gases from a sample. http://purl.obolibrary.org/obo/CHMO_0002773 dissolving http://purl.obolibrary.org/obo/CHMO_0001685 mixing A mixing step where a soluble component is mixed with a liquid component. http://purl.obolibrary.org/obo/CHMO_0002774 stirring http://purl.obolibrary.org/obo/CHMO_0001685 mixing Mixing involving the agitation of a solution through circular motion. http://purl.obolibrary.org/obo/CHMO_0002775 magnetic stirring http://purl.obolibrary.org/obo/CHMO_0002774 stirring Stirring achieved by rotating a magnetic stir bar in a solution. http://purl.obolibrary.org/obo/CHMO_0002852 spiking http://purl.obolibrary.org/obo/OBI_0000094 material processing A material processing step that involves taking a test material with an adequately low background level of the intended analyte and mixing it with a known amount of analyte. http://purl.obolibrary.org/obo/CHEBI_138675 gas molecular entity http://purl.obolibrary.org/obo/CHEBI_33579 main group molecular entity Any main group molecular entity that is gaseous at standard temperature and pressure (STP; 0degreeC and 100 kPa). http://purl.obolibrary.org/obo/CHEBI_33670 heteromonocyclic compound http://purl.obolibrary.org/obo/CHEBI_33661 monocyclic compound http://purl.obolibrary.org/obo/CHEBI_35605 carbon oxoacid http://purl.obolibrary.org/obo/CHEBI_36963 organooxygen compound http://purl.obolibrary.org/obo/CHEBI_37022 amino-acid anion http://purl.obolibrary.org/obo/CHEBI_35352 organonitrogen compound http://purl.obolibrary.org/obo/CHEBI_51447 organic univalent group http://purl.obolibrary.org/obo/CHEBI_33247 organic group http://purl.obolibrary.org/obo/CHEBI_51446 organic divalent group http://purl.obolibrary.org/obo/CHEBI_33247 organic group http://purl.obolibrary.org/obo/CHEBI_38157 iron chelator http://purl.obolibrary.org/obo/CHEBI_38161 chelator http://purl.obolibrary.org/obo/CHEBI_24834 inorganic anion http://purl.obolibrary.org/obo/CHEBI_36914 inorganic ion http://purl.obolibrary.org/obo/CHEBI_36830 monoanion http://purl.obolibrary.org/obo/CHEBI_22563 anion http://purl.obolibrary.org/obo/CHEBI_52208 biophysical role http://purl.obolibrary.org/obo/CHEBI_24432 biological role http://purl.obolibrary.org/obo/CHEBI_52211 physiological role http://purl.obolibrary.org/obo/CHEBI_24432 biological role http://purl.obolibrary.org/obo/CHEBI_25693 organic heteromonocyclic compound http://purl.obolibrary.org/obo/CHEBI_33670 heteromonocyclic compound http://purl.obolibrary.org/obo/CHEBI_36914 inorganic ion http://purl.obolibrary.org/obo/CHEBI_24870 ion http://purl.obolibrary.org/obo/CHEBI_49637 hydrogen atom http://purl.obolibrary.org/obo/CHEBI_33559 s-block element atom http://purl.obolibrary.org/obo/CHEBI_33242 inorganic hydride http://purl.obolibrary.org/obo/CHEBI_33692 hydrides http://purl.obolibrary.org/obo/CHEBI_25699 organic ion http://purl.obolibrary.org/obo/CHEBI_50860 organic molecular entity http://purl.obolibrary.org/obo/CHEBI_25555 nitrogen atom http://purl.obolibrary.org/obo/CHEBI_33300 pnictogen http://purl.obolibrary.org/obo/CHEBI_25805 oxygen atom http://purl.obolibrary.org/obo/CHEBI_33303 chalcogen http://purl.obolibrary.org/obo/CHEBI_27594 carbon atom http://purl.obolibrary.org/obo/CHEBI_33306 carbon group element atom http://purl.obolibrary.org/obo/CHEBI_36389 saturated organic heteromonocyclic parent http://purl.obolibrary.org/obo/CHEBI_36388 saturated organic heterocyclic parent http://purl.obolibrary.org/obo/CHEBI_46926 dioxanes http://purl.obolibrary.org/obo/CHEBI_38104 oxacycle http://purl.obolibrary.org/obo/CHEBI_35552 heterocyclic organic fundamental parent http://purl.obolibrary.org/obo/CHEBI_33245 organic fundamental parent http://purl.obolibrary.org/obo/CHEBI_25585 nonmetal atom http://purl.obolibrary.org/obo/CHEBI_33250 atom http://purl.obolibrary.org/obo/CHEBI_33559 s-block element atom http://purl.obolibrary.org/obo/CHEBI_33250 atom http://purl.obolibrary.org/obo/CHEBI_51143 nitrogen molecular entity http://purl.obolibrary.org/obo/CHEBI_33302 pnictogen molecular entity http://purl.obolibrary.org/obo/CHEBI_35881 pnictogen hydride http://purl.obolibrary.org/obo/CHEBI_33242 inorganic hydride http://purl.obolibrary.org/obo/CHEBI_25806 oxygen molecular entity http://purl.obolibrary.org/obo/CHEBI_33304 chalcogen molecular entity http://purl.obolibrary.org/obo/CHEBI_33306 carbon group element atom http://purl.obolibrary.org/obo/CHEBI_33560 p-block element atom http://purl.obolibrary.org/obo/CHEBI_33836 benzenoid aromatic compound http://purl.obolibrary.org/obo/CHEBI_33659 organic aromatic compound http://purl.obolibrary.org/obo/CHEBI_33663 cyclic hydrocarbon http://purl.obolibrary.org/obo/CHEBI_24632 hydrocarbon http://purl.obolibrary.org/obo/CHEBI_33582 carbon group molecular entity http://purl.obolibrary.org/obo/CHEBI_33675 p-block molecular entity http://purl.obolibrary.org/obo/CHEBI_33659 organic aromatic compound http://purl.obolibrary.org/obo/CHEBI_33655 aromatic compound http://purl.obolibrary.org/obo/CHEBI_36915 inorganic cation http://purl.obolibrary.org/obo/CHEBI_36916 cation http://purl.obolibrary.org/obo/CHEBI_50312 onium compound http://purl.obolibrary.org/obo/CHEBI_37577 heteroatomic molecular entity http://purl.obolibrary.org/obo/CHEBI_33241 oxoacid derivative http://purl.obolibrary.org/obo/CHEBI_37577 heteroatomic molecular entity http://purl.obolibrary.org/obo/CHEBI_38497 respiratory-chain inhibitor http://purl.obolibrary.org/obo/CHEBI_38496 electron-transport chain inhibitor http://purl.obolibrary.org/obo/CHEBI_25355 mitochondrial respiratory-chain inhibitor http://purl.obolibrary.org/obo/CHEBI_38497 respiratory-chain inhibitor http://purl.obolibrary.org/obo/CHEBI_35106 nitrogen hydride http://purl.obolibrary.org/obo/CHEBI_35881 pnictogen hydride http://purl.obolibrary.org/obo/CHEBI_23019 carbonyl group http://purl.obolibrary.org/obo/CHEBI_51422 organodiyl group http://purl.obolibrary.org/obo/CHEBI_38496 electron-transport chain inhibitor http://purl.obolibrary.org/obo/CHEBI_76932 pathway inhibitor http://purl.obolibrary.org/obo/BFO_0000008 temporal region http://purl.obolibrary.org/obo/BFO_0000003 occurrent http://purl.allotrope.org/ontologies/process#AFP_0003374 state http://purl.obolibrary.org/obo/BFO_0000015 process http://purl.obolibrary.org/obo/BFO_0000034 function http://purl.obolibrary.org/obo/BFO_0000016 disposition http://purl.obolibrary.org/obo/BFO_0000016 disposition http://purl.obolibrary.org/obo/BFO_0000017 realizable entity http://purl.obolibrary.org/obo/BFO_0000019 quality http://purl.obolibrary.org/obo/BFO_0000020 specifically dependent continuant http://purl.obolibrary.org/obo/BFO_0000024 fiat object part http://purl.obolibrary.org/obo/BFO_0000040 material entity http://purl.obolibrary.org/obo/BFO_0000027 object aggregate http://purl.obolibrary.org/obo/BFO_0000040 material entity http://purl.obolibrary.org/obo/FIX_0000277 reaction property http://purl.obolibrary.org/obo/BFO_0000144 process profile http://biomodels.net/SBO/SBO_0000002 quantitative systems description parameter http://purl.obolibrary.org/obo/IAO_0000030 information content entity http://purl.obolibrary.org/obo/FIX_0000279 Gibbs free energy change http://purl.obolibrary.org/obo/FIX_0000369 thermodynamic reaction property http://purl.obolibrary.org/obo/FIX_0000285 redox potential change http://purl.obolibrary.org/obo/FIX_0000281 redox reaction property http://purl.obolibrary.org/obo/CHEBI_4705 double-stranded DNA http://purl.obolibrary.org/obo/CHEBI_16991 deoxyribonucleic acid http://purl.obolibrary.org/obo/CHEBI_36823 pseudohalo group http://purl.obolibrary.org/obo/CHEBI_24433 group http://purl.obolibrary.org/obo/CHEBI_26671 sideramine http://purl.obolibrary.org/obo/CHEBI_26672 siderophore http://purl.obolibrary.org/obo/CHEBI_46883 carboxy group http://purl.obolibrary.org/obo/CHEBI_33249 organyl group http://purl.obolibrary.org/obo/CHEBI_13941 carbamate http://purl.obolibrary.org/obo/CHEBI_37022 amino-acid anion http://purl.obolibrary.org/obo/CHEBI_43176 hydroxy group http://purl.obolibrary.org/obo/CHEBI_33246 inorganic group http://purl.obolibrary.org/obo/CHEBI_46629 oxo group http://purl.obolibrary.org/obo/CHEBI_33246 inorganic group http://purl.obolibrary.org/obo/CHEBI_29337 azanide http://purl.obolibrary.org/obo/CHEBI_79389 monovalent inorganic anion http://purl.obolibrary.org/obo/CHEBI_48819 cyano group http://purl.obolibrary.org/obo/CHEBI_36823 pseudohalo group http://biomodels.net/SBO/SBO_0000346 temporal measure http://biomodels.net/SBO/SBO_0000002 quantitative systems description parameter http://biomodels.net/SBO/SBO_0000331 half-life http://biomodels.net/SBO/SBO_0000346 temporal measure http://biomodels.net/SBO/SBO_0000348 exponential time constant http://biomodels.net/SBO/SBO_0000346 temporal measure http://biomodels.net/SBO/SBO_0000611 effective catalytic rate http://biomodels.net/SBO/SBO_0000009 kinetic constant http://biomodels.net/SBO/SBO_0000332 half-life of an exponential decay http://biomodels.net/SBO/SBO_0000331 half-life http://purl.obolibrary.org/obo/CHEBI_18044 dialkyl ketone http://purl.obolibrary.org/obo/CHEBI_17087 ketone http://purl.obolibrary.org/obo/CHEBI_48378 carboximidic acid http://purl.obolibrary.org/obo/CHEBI_48377 imidic acid http://purl.obolibrary.org/obo/CHEBI_24028 iron(3+) chelator http://purl.obolibrary.org/obo/CHEBI_38157 iron chelator http://purl.obolibrary.org/obo/CHEBI_38162 iron(2+) chelator http://purl.obolibrary.org/obo/CHEBI_38157 iron chelator http://purl.obolibrary.org/obo/CHEBI_22368 alpha-1-microglobulin-Ig alpha complex chromophores http://purl.obolibrary.org/obo/CHEBI_23240 chromophore http://purl.obolibrary.org/obo/CHEBI_25747 oxidized luciferins http://purl.obolibrary.org/obo/CHEBI_25078 luciferin http://purl.obolibrary.org/obo/CHEBI_36856 hydrogen isocyanide http://purl.obolibrary.org/obo/CHEBI_33405 hydracid http://purl.obolibrary.org/obo/CHEBI_48355 non-polar solvent http://purl.obolibrary.org/obo/CHEBI_46787 solvent http://purl.obolibrary.org/obo/CHEBI_48357 aprotic solvent http://purl.obolibrary.org/obo/CHEBI_46787 solvent http://purl.obolibrary.org/obo/CHEBI_36829 polyatomic monoanion http://purl.obolibrary.org/obo/CHEBI_36830 monoanion http://purl.obolibrary.org/obo/CHEBI_33661 monocyclic compound http://purl.obolibrary.org/obo/CHEBI_33595 cyclic compound http://purl.obolibrary.org/obo/CHEBI_33842 aromatic annulene http://purl.obolibrary.org/obo/CHEBI_33847 monocyclic arene http://purl.obolibrary.org/obo/CHEBI_33664 monocyclic hydrocarbon http://purl.obolibrary.org/obo/CHEBI_33663 cyclic hydrocarbon http://purl.obolibrary.org/obo/CHEBI_33608 hydrogen molecular entity http://purl.obolibrary.org/obo/CHEBI_33674 s-block molecular entity http://purl.obolibrary.org/obo/CHEBI_37176 mononuclear parent hydride http://purl.obolibrary.org/obo/CHEBI_33692 hydrides http://purl.obolibrary.org/obo/CHEBI_37175 organic hydride http://purl.obolibrary.org/obo/CHEBI_33692 hydrides http://purl.obolibrary.org/obo/CHEBI_36388 saturated organic heterocyclic parent http://purl.obolibrary.org/obo/CHEBI_35552 heterocyclic organic fundamental parent http://purl.obolibrary.org/obo/CHEBI_36828 pseudohalide anion http://purl.obolibrary.org/obo/CHEBI_36829 polyatomic monoanion http://purl.obolibrary.org/obo/FIX_0000369 thermodynamic reaction property http://purl.obolibrary.org/obo/FIX_0000277 reaction property http://purl.obolibrary.org/obo/FIX_0000368 kinetic reaction property http://purl.obolibrary.org/obo/FIX_0000277 reaction property http://purl.obolibrary.org/obo/FIX_0000281 redox reaction property http://purl.obolibrary.org/obo/FIX_0000277 reaction property http://purl.obolibrary.org/obo/CHMO_0002863 dispersive solid phase extraction http://purl.obolibrary.org/obo/CHMO_0001583 liquid-solid extraction http://purl.obolibrary.org/obo/PROCO_0000069 crystalline state A physical quality indicating the structural order of a solid in which its atoms or molecules are arranged in a regular, periodic manner.[wikipedia] http://purl.obolibrary.org/obo/PROCO_0000151 solid dispersion A heterogenous mixture in which one or more components is dispersed in a solid matrix http://purl.obolibrary.org/obo/PROCO_0000170 X-Ray diffractivity A chemical substance quality of a crystalline phase that manifests itself as a set of allowed and unallowed peaks corresponding to the diffraction of incident x-ray radiation as a function of the substance's unit cell and its space group. http://purl.obolibrary.org/obo/PROCO_0000171 beaker A beaker is a simple container for stirring, mixing and heating liquids commonly used in many laboratories. Beakers are generally cylindrical in shape, with a flat bottom. Most also have a small spout (or "beak") to aid pouring. http://purl.obolibrary.org/obo/PROCO_0000172 Bunsen burner A heating device (environmental control device) that utilizes an open flame for heating. http://purl.obolibrary.org/obo/PROCO_0000173 crucible A crucible is a ceramic or metal container in which metals or other substances may be melted or subjected to very high temperatures. [Wikipedia] http://purl.obolibrary.org/obo/PROCO_0000174 fractionating column A device to separate vaporized mixtures of liquid compounds with close volatility. http://purl.obolibrary.org/obo/PROCO_0000178 condensor A device used to condense vapors into liquid by cooling. http://purl.obolibrary.org/obo/PROCO_0000188 environmental control device A device for controlling the environment of a particular space http://purl.obolibrary.org/obo/PROCO_0000191 flask Flasks are narrow-necked glass containers, typically conical or spherical, used in a laboratory to hold reagents or samples. http://purl.obolibrary.org/obo/PROCO_0000197 evaporation device A device that evaporates http://purl.obolibrary.org/obo/PROCO_0000206 chemical drawing A two or three dimensional representation of a chemical structure. http://purl.obolibrary.org/obo/PROCO_0000214 synthesis flow chart A 2-D representation of a step-by-step progression through a synthesis or part of a synthesis showing reagents, intermediates and reaction conditions. http://purl.obolibrary.org/obo/PROCO_0000236 graphical rate equation A plot of the differential kinetic measurement as the y-axis vs. the integral measurement as the x-axis. http://purl.obolibrary.org/obo/PROCO_0000238 mutagenic impurity An impurity role of DNA reactive material that have significant carcinogenic risk http://purl.obolibrary.org/obo/PROCO_0000270 residual solvent impurity Residual solvents in pharmaceuticals are defined here as organic volatile chemicals that are used or produced in the manufacture of drug substances or excipients, or in the preparation of drug products. The solvents are not completely removed by practical manufacturing techniques. http://purl.obolibrary.org/obo/BFO_0000001 entity http://purl.allotrope.org/ontologies/equipment#AFE_0002168 transferring device http://purl.obolibrary.org/obo/RO_0000085 has function http://purl.obolibrary.org/obo/RO_0000053 bearer of has_function a relation between an independent continuant (the bearer) and a function, in which the function specifically depends on the bearer for its existence http://purl.obolibrary.org/obo/RO_0000087 has role http://purl.obolibrary.org/obo/RO_0000053 bearer of has_role a relation between an independent continuant (the bearer) and a role, in which the role specifically depends on the bearer for its existence http://purl.obolibrary.org/obo/IAO_0000219 denotes http://purl.obolibrary.org/obo/IAO_0000136 is about A primitive, instance-level, relation obtaining between an information content entity and some portion of reality. Denotation is what happens when someone creates an information content entity E in order to specifically refer to something. The only relation between E and the thing is that E can be used to 'pick out' the thing. This relation connects those two together. Freedictionary.com sense 3: To signify directly; refer to specifically http://purl.obolibrary.org/obo/OBI_0000293 has_specified_input http://purl.obolibrary.org/obo/RO_0000057 has participant A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of. http://purl.obolibrary.org/obo/OBI_0000295 is_specified_input_of http://purl.obolibrary.org/obo/RO_0000056 participates in A relation between a planned process and a continuant participating in that process that is not created during the process. The presence of the continuant during the process is explicitly specified in the plan specification which the process realizes the concretization of. http://purl.obolibrary.org/obo/OBI_0000299 has_specified_output http://purl.obolibrary.org/obo/RO_0000057 has participant A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of. http://purl.obolibrary.org/obo/OBI_0000312 is_specified_output_of http://purl.obolibrary.org/obo/RO_0000056 participates in A relation between a planned process and a continuant participating in that process. The presence of the continuant at the end of the process is explicitly specified in the objective specification which the process realizes the concretization of. http://purl.obolibrary.org/obo/OBI_0001937 has specified numeric value http://purl.obolibrary.org/obo/OBI_0002135 has specified value A relation between a value specification and a number that quantifies it. http://purl.obolibrary.org/obo/OBI_0001938 has value specification http://purl.obolibrary.org/obo/BFO_0000051 has part A relation between an information content entity and a value specification that specifies its value. http://purl.obolibrary.org/obo/IAO_0000039 has measurement unit label http://purl.obolibrary.org/obo/BFO_0000051 has part http://purl.obolibrary.org/obo/RO_0000052 inheres in inheres_in a relation between a specifically dependent continuant (the dependent) and an independent continuant (the bearer), in which the dependent specifically depends on the bearer for its existence http://purl.obolibrary.org/obo/RO_0000053 bearer of is bearer of a relation between an independent continuant (the bearer) and a specifically dependent continuant (the dependent), in which the dependent specifically depends on the bearer for its existence http://purl.obolibrary.org/obo/RO_0000056 participates in participates_in a relation between a continuant and a process, in which the continuant is somehow involved in the process http://purl.obolibrary.org/obo/RO_0000057 has participant has_participant a relation between a process and a continuant, in which the continuant is somehow involved in the process http://purl.obolibrary.org/obo/BFO_0000051 has part has_part a core relation that holds between a whole and its part http://purl.obolibrary.org/obo/BFO_0000050 part of part_of a core relation that holds between a part and its whole http://purl.obolibrary.org/obo/OBI_0002135 has specified value A relation between a value specification and a literal. http://purl.obolibrary.org/obo/IAO_0000136 is about A (currently) primitive relation that relates an information artifact to an entity. http://purl.obolibrary.org/obo/OBI_0000124 is_supported_by_data The relation between a data item and a conclusion where the conclusion is the output of a data interpreting process and the data item is used as an input to that process http://purl.obolibrary.org/obo/OBI_0000316 obsolete_has_role A relation between a continuant C and a role R. The reciprocal relation of role_of. http://purl.obolibrary.org/obo/OBI_0000417 achieves_planned_objective This relation obtains between a planned process and a objective specification when the criteria specified in the objective specification are met at the end of the planned process. http://purl.obolibrary.org/obo/OBI_0000833 objective_achieved_by This relation obtains between an objective specification and a planned process when the criteria specified in the objective specification are met at the end of the planned process. http://purl.obolibrary.org/obo/RO_0000059 concretizes A relationship between a specifically dependent continuant and a generically dependent continuant, in which the generically dependent continuant depends on some independent continuant in virtue of the fact that the specifically dependent continuant also depends on that same independent continuant. Multiple specifically dependent continuants can concretize the same generically dependent continuant. http://purl.obolibrary.org/obo/PROCO_0000007 monotropically related to is thermodynically preferred at all temperatures http://purl.obolibrary.org/obo/PROCO_0000027 profile of a relationship indicating that the process profile quantitates some aspect of the process (e.g. a quality of a material participant) http://purl.obolibrary.org/obo/PROCO_0000037 enantiotropically related to a relationship between polymorphs that has a cross-over temperature at which one form becomes more thermodynamically favored than the other. http://purl.obolibrary.org/obo/PROCO_0000038 is solvate of an object property that represents a relation between a chemical moiety and a physical form that incorporates solvent molecules either in the crystal lattice or by adsorption on the surface or in channels within the particles. http://purl.obolibrary.org/obo/PROCO_0000075 is polymorph of an object property that represents a relation between polymorphs, i.e. different physical forms of the same chemical moiety. http://purl.obolibrary.org/obo/IAO_0000235 denoted by inverse of the relation 'denotes' http://purl.obolibrary.org/obo/BFO_0000054 realized in realized_in http://purl.obolibrary.org/obo/BFO_0000057 has participant http://purl.obolibrary.org/obo/BFO_0000055 realizes http://purl.obolibrary.org/obo/IAO_0000004 has measurement value http://purl.obolibrary.org/obo/chebi#has_functional_parent has functional parent http://purl.obolibrary.org/obo/chebi#has_parent_hydride has parent hydride http://purl.obolibrary.org/obo/chebi#is_conjugate_acid_of is conjugate acid of http://purl.obolibrary.org/obo/chebi#is_conjugate_base_of is conjugate base of http://purl.obolibrary.org/obo/chebi#is_substituent_group_from is substituent group from http://purl.obolibrary.org/obo/chebi#is_tautomer_of is tautomer of