CAS Role的详细信息

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Substance Role

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详细信息

Adverse effect, including toxicity

1967-

Biological Study

Assigned to substances that are 1) drugs administered to organisms for diagnostic, therapeutic, or prophylactic purposes showing unintended (side) adverse effects; 2) excipients used as drug carriers in formulations showing undesired adverse effects; 3) toxicants from the environment, entering the body accidentally and showing harmful effect (including poisoning); 4)  toxicants introduced to the body intentionally (poisoning, suicides) as well as recreational drugs exhibiting harmful effects; 5) toxicants, such as pesticides, agrochemicals, industrial chemicals, etc., tested for their potential harmful effects on biological objects as part of environmental risk assessment studies or other controlled toxicological testing procedures.

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Agricultural Use

1967-

Biological Study; Uses

Assigned to a substance with demonstrated, claimed, or clearly intended use in agricultural applications.

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Analyte

1967-

Analytical Study

Assigned to a substance in studies where the substance is being detected, identified, determined or bioassayed in a material or sample with analytical intent, including diagnostic analysis.

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Analytical matrix

1967-

Analytical Study

Assigned to the material, such as the sample or specimen, that is analyzed to determine its constituents.

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Analytical Reagent Use

1967-

Analytical Study; Uses

Assigned to the substance used to detect the presence or determine the amount of analyte in the sample in an analytical procedure.

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Analytical Role, Unclassified

1967-

Analytical Study

Assigned to a substance which interferes with the analysis; is present as a concomitant; serves as an auxiliary medium or support or non-reactive solvent in an analytical procedure; is used as a standard or reference substance for solutions; or for cases where no more specific ANST role applies, but the substance is emphasized as a significant participant in an analytical study.

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Analytical Study

 

1967-

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Assigned to a substance/material in studies of the detection or identification of the constituents of the material; of the determination of the amount of a constituent in the material; of qualitative or quantitative bioassays; of involvement of the substance in an analytical procedure; for separation of the substance with analytical intent; or for identification of an unknown substance.

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Biochemical process

2002-

Biological Study; Process

Assigned to a substance in studies of applied processes and reaction mechanisms where the substance is acted upon or transformed in or by a biochemical system.  Often, there will be commercial interest in the process.

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Bioindustrial Manufacture

1967-

Biological Study; Preparation

Assigned to a substance in a study reporting the commercial-scale biomanufacture of the substance.

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Biological Study

1967

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Assigned to a substance in studies of the role of the substance in or its effect on biological molecules and systems (including organisms, organs, cells, and subcellular systems). Such studies include metabolism, toxicity, occurrence, biological applications and composition.

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Biological Study, Unclassified

1967-

Biological Study

Assigned to substances representing any chemical constituent of living cells / biological systems and studied in a biological context for which no more specific Biological Study role indicator applies. It is also assigned to substances which are not studied explicitly but are indexed to denote their relevance to the prevailing evidence of the document, author emphasis, or both in a biological context.

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Biological Use, Unclassified

1967-

Biological Study; Uses

Assigned to a substance used as a biological tool (when indexable), to agents having a biological target, or to a substance used in a biological context for which no more specific biological USES role applies.

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Biosynthetic Preparation

1967-

Biological Study; Preparation

Assigned to a substance in a study reporting the lab-scale biosynthesis of the substance with preparative intent.

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Byproduct

1967-

Preparation

Assigned to indexed substances prepared incidentally in the course of a synthesis. Synthesis can be intentional, i.e., directed toward a particular product, or exploratory, where the product is not posited a priori. In the case of intentional synthesis, Byproduct is assigned to substances obtained in addition to or instead of the intended product. Substances in such cases may be obtained in relatively low yield or cited as byproducts by the author despite relatively high yield. In the case of exploratory synthesis, BYP is assigned to substances obtained in addition to the major product in relatively low yield.

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Catalyst Use

1967-

Uses

Assigned to a substance where there is a demonstrated, claimed, or clearly intended use as a promoter, initiator, or functional equivalent in any reactions or processes on a lab or commercial scale.  Catalyst supports, catalyst promoters, and catalyst additives are considered to be part of the overall catalyst system and receive the Catalyst role.  Enzymes used in preparative biosyntheses and negative catalysts and other reaction inhibitors also receive this role.

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Combinatorial Study

2002-

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Assigned to all substances and class-of-compound headings participating in a combinatorial study in addition to their non-combinatorial document-based roles. Combinatorial chemistry refers to the intentional assembly of chemical collections featuring either structural or compositional diversity. Substances and/or classes of compounds receive CMBI if they are prepared by combinatorial methods, participate in combinatorial preparations as reactants, reagents, or catalysts, or used in an analysis of combinatorial libraries.

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Cosmetic Use

2002-

Biological Study; Uses

Assigned to a substance in studies of the substance in preparations designed to beautify, clean, or modify the appearance of the body by direct application.

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Diagnostic Use

2002-

Biological Study; Uses

Assigned to a substance used as a tool for diagnostic purposes (to identify a disease, pathogen, or injury) in laboratory tests, imaging techniques, etc.

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Food or Feed Use

1967-

Biological Study; Uses

Assigned to a substance in demonstrated, claimed, or clearly intended use of the substance for the preparation, processing, or improvement of foods or animal feeds.

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Formation, Nonpreparative

1967-

Formation

Assigned to a substance in studies of the natural or incidental formation of the substance without preparative intent or interest. Prior to 2002, metabolic formation also can be found at the FORM role.

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Formation, Unclassified

1967-

Formation

Assigned to (1) a substance in studies of the formation of the substance resulting either from human activity without preparative intent or from naturally occurring processes such as radioactive decay or elementary particle decay, (2) products of theoretical reactions without preparative intent, or (3) substances from studies of formation in which no more specific Formation role applies.

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Geological or Astronomical Formation

1967-

Formation

Assigned to a substance in studies of the natural formation of the substance in geological or astronomical systems.

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Geological or Astronomical Occurrence

1967-

Occurrence

Assigned to a substance in studies of the natural occurrence or detection of the substance in systems such as Earth, atmospheres, planets, and other bodies in the cosmos, without interest in formation mechanisms. Substances in studies of the substance as a tracer or indicator in a geological or astronomical system and studies of prospecting of natural resources as eventual commodity products also receive this role.

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Geological or astronomical process

1967-

Process

Assigned to a substance in studies where the substance is involved in natural transformations in geological or astronomical systems within geological or astronomical time frames.

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Industrial Manufacture

1967-

Preparation

Assigned to a substance in studies reporting commercial-scale, chemical (non-biomediated) preparation of the substance.  This role is also used for the product substance in "process" patents which imply scale-up.

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Miscellaneous

1967-

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Assigned to (1) a substance in studies of the substance not covered by other roles or (2) a substance which is not itself studied but is indexed to denote or identify another substance or condition that is studied in a nonbiological context.

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Modifier or Additive Use

1967-

Uses

Assigned to substances in studies where there is a claimed (in patents) or demonstrated use of the substance as an agent to promote a property or function of another substance, material, or formulation. The substance may be purposely introduced or be present naturally. From 2002 to present, only novel additives are assigned MOA role.

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Nanoscale

2009-

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Assigned to a specific substance or to a substance class this is described as being in a nano form or as nanoscale without further information, or whose dimensions are between 0.05 nanometers and 100 nanometers. Additional roles may be assigned to nanomaterial substances. Additional content back to 1992 has been algorithmically matched to this role.

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Natural Product Occurrence

2002-

Biological Study; Occurrence

Assigned to a substance in studies of the substance occurring in natural sources such as plants, animals, and microorganisms.  These studies encompass new natural products or the novel occurrence of the substance in a natural source and typically involve isolation and structure elucidation of the substance.

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Occurrence

1967-

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Assigned to a substance in studies of the occurrence of the substance.

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Occurrence, Unclassified

1967-

Occurrence

Assigned to a substance in studies reporting the harmless occurrence of the substance resulting from human activity, occurrence of unwanted impurities in a material, trace elements found in archaeological objects, or for cases where no more specific Occurrence role applies.

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Other Use, Unclassified

1967-

Uses

Assigned to a substance when the use of the substance is not biological and is not covered by any of the other specific nonbiological USES roles. Assigned to a technical reagent used in treatment processes and to a technical substance used in reactions but not involved in the synthesis as a reactant or a reagent.

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Pharmacokinetics

2002-

Biological Study

Assigned to substances represented by therapeutic or diagnostic drugs, toxicants and pollutants studied for their absorption (uptake), distribution, biotransformation (metabolism), bioavailability, or excretion (clearance or elimination) in the body, tissues or cells.

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Pharmacological Activity

2002-

Biological Study

Assigned to substances with known or potential therapeutic use when their pharmacological activity or mechanism of action is studied either in an organism or in vitro (tissue or cell cultures, cellular extracts, subcellular components like mitochondria or ribosomes, purified molecules - DNA, RNA, proteins, enzymes).

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Physical, Engineering or Chemical Process

1967-

Process

Assigned to a substance in studies of physical transformations and/or reactive chemical processes of the substance; for kinetic-energetic, mechanistic, engineering, and dynamic aspects of such processes; for mechanistic studies of discrete chemical reactions where the substance is a reactant; for dynamic aspects of transport phenomena; or for transformations of (systems, formulations, composites, blends, etc.) in which the substance is a component.

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Pollutant

1967-

Occurrence

Assigned to a substance in studies in which the substance (viewed as a harmful substance) is encountered in the environment, including indoor and outdoor air and atmosphere, soil, water, buildings, biological systems, etc.  This role is also used for substances in studies which focus on potentially harmful effects if the substance were to enter an ecosystem.  In analysis for pollutants in environmental samples, the pollutant-analyte receives Analyte and Pollutant.

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Polymers in Formulation

1967-

Uses

Assigned to a polymeric substance in studies where there is a claimed (in patents) or demonstrated use of the polymeric substance in a formulation with no further end use, when the emphasis is on the novelty of the formulation.  This role also is assigned to all polymer components in polymer blends, when novel or emphasized.

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Preparation

1907-

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Assigned to a substance in studies of the synthesis of the substance as a distinct chemical entity, formed with preparative intent, via a chemical, biochemical, or nuclear reaction. The recovery, purification, separation, or other intentional formation with preparative intent of a desired substance also receives a Preparation role.

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Process

1967-

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Assigned to a substance in studies of complex, multistep treatments of the substance and for dynamic transformations involving the substance.

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Properties

1967-

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Assigned to substances in studies of: (1) the chemical, physical, thermodynamic, or kinetic properties of the substance over and beyond routine characterization; (2) properties of materials (systems, blends, formulations, etc.) in which the substance is a component; (3) the properties of reactions of the substance; or (4) the properties of processes in which the substance is involved. Properties of reactions are usually represented by numerical values, graphics, or data plots.

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Prophetic Synthesis or Use

2008-

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Assigned to a specific substance (e.g., reactant, isolated intermediate, product) that is described but not characterized within the examples section of a patent. A chemical name and/or structure is provided, possibly within a table, but no physical properties are provided. There is no evidence that the substance was actually created or used. Back file data to 2003 has been processed.

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Purification or Recovery

1967-

Preparation

Assigned to substances that are purified, extracted, recovered, and separated, etc., with preparative intent, and where such purification is a focus of author interest. This role is assigned when racemates are resolved into enantiomers.

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Reactant

1967-

Reactant / Reagent

Assigned to substances that participate in a discrete preparative chemical reaction and contribute to the molecular structure of the product. Assigned to reactants in discrete chemical reactions where the product substance is not necessarily identified, reactants in failed reactions, and reactants in atomic number or mass in nuclear reactions. Indexable intermediates that are prepared and further reacted receive both the Reactant role and the appropriate specific Preparation role. From 1967-2001, this role was also assigned to indexed reagents.

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Reactant or Reagent

1967-

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Assigned to a substance in studies of the substance as a reactant (becomes part of the product molecule) or reagent (enables the reaction but is not part of the product) in a discrete chemical reaction. Assigned to substances involved in nuclear reactions, for intentional chemical modification of a biochemical substance (for example, labeling, tagging, etc.), and for reactants in failed reactions.

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Reagent

2002-

Reactant / Reagent

Assigned to the substance that enables a preparative chemical reaction to occur but does not contribute to the molecular structure of the product. This role is assigned to reagents in synthetic and preparative studies ONLY.

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Removal or Disposal

1967-

Process

Assigned to an undesirable substance in studies of the removal of that substance without intent to prepare it and regardless of the type of process used to effect removal.

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Synthetic Preparation

1967-

Preparation

Assigned to a substance in studies reporting a lab-scale chemical (non-biomediated) or nuclear synthesis of the substance with or without preparative intent.

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Technical or Engineered Material Use

1967-

Uses

Assigned to a substance that is designed and manufactured for commercial or engineering use, other than those uses covered by specific USES roles. The material may consist of one substance or, more commonly, be a multi-component System, composite, mixture, or formulation.

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Therapeutic Use

1967-

Biological Study; Uses

Assigned to substances in studies reporting demonstrated, claimed, or clearly intended application or formulation of the substances for medical or veterinary use in therapy or prophylaxis.

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Uses

1967-

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Assigned to a substance in studies reporting new or novel uses and applications of the substance. USES roles are assigned only when the application is demonstrated, claimed, or clearly intended, not for a well-known use or function of the substance. Patents imply usefulness and purpose, thus USES roles are assigned for a claimed use, as well as for demonstrated uses in examples.

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