Perfluoroalkyl and polyfluoroalkyl substances in the environment: Terminology, classification, and origins — TEI-tagged view

Robert C. Buck, James M. Franklin, Urs Berger, Jason Conder, Ian T. Cousins, Pim de Voogt, Allan Astrup Jensen, Kurunthachalam Kannan, Scott A. Mabury, S.P.J. van Leeuwen · 2011 · environmental-science · doi:10.1002/ieam.258 · TEI xml · tagged edition · index · concepts · authors
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Tags on this paper every tag the record carries, whether or not the words occur in the text below — a number is how many papers in the corpus carry that tag; a tag with no number is unique to this paper
PFAS3 PFC6 fluoropolymers fluorinated polymers PFCAs PFSAs tenside expert-consensus69
Method, as described: an expert group recommending names by pragmatic compromise between IUPAC/CAS nomenclature, internal consistency and existing legacy usage, with correct and incorrect example statements and CAS registry numbers appended

Our tag layer for this paper

Cross-disciplinary analysis
content-tags & facets: phenomenon · claim-type · cross-domain-transfer · mechanism · claim-relation · replication-status · limitation — grounded in the full text
phenomenona vocabulary that grew faster than its referents could be pinned down - over 400 papers a year using names that had never been agreed— “Since the first reports revealing the widespread global occurrence of PFOS in wildlife (Giesy and Kannan 2001 ) and the frequent detection of PFASs in human blood (Hansen et al. 2001 ) were published a decade ago, the scientific literature on the environmental and toxicological aspects of PFASs has burgeoned rapidly, and the rate of…
claim-typemethod— “The primary aim of this article is to recommend clear, specific, and descriptive terminology, names, and acronyms for PFASs, so as to promote a sound, unified understanding among all players in the PFAS industry, the environmental science related to it, and the bodies responsible for the regulation of chemicals, hence facilitating meaningful…
method — evidence— “We have nevertheless refrained from creating an all new nomenclature but have retained—as far as possible—the most popular terms and acronyms used by authors to date. In other words, our proposals result from a pragmatic compromise among textbook and/or International Union for Pure and Applied Chemistry (IUPAC) chemical nomenclature…
object of study — evidence— “In the existing body of literature, including governmental reports, authors have created terminology, names, and acronyms to describe these substances. Unfortunately, inconsistencies have inevitably arisen between various groups of authors. In the absence of any concerted effort between scientists to agree on a common terminology to designate…
research question — evidence— “Soon thereafter, many authors began using the acronym PFC and have defined it in many different ways. As a result, the meaning of the acronym PFC is unclear and not well defined. Moreover, we consider this choice to have been an unfortunate and inappropriate one, given that the acronym PFC has been used in official Kyoto Protocol documents…
contribution — evidence— “More explicitly, we recommend that the family of compounds denoted by the acronym PFAS should encompass: Perfluoroalkyl substances, which are defined as aliphatic substances for which all of the H atoms attached to C atoms in the nonfluorinated substance from which they are notionally derived have been replaced by F atoms, except those H…
mechanismTHE PUBLISHED RULE FOR WHEN TWO FIELDS MAY SHARE AN ACRONYM: `many authors began using the acronym PFC and have defined it in many different ways. As a result, the meaning of the acronym PFC is unclear and not well defined ... the acronym PFC has been used in official KYOTO PROTOCOL documents since 1997 to specifically designate PERFLUOROCARBONS. Clearly, A given acronym may legitimately be used in different spheres of activity to denote different concepts, provided these activities are sufficiently disconnected from each other. However, both PFCs and PFASs belong to the overall family of fluorinated chemicals and, hence, are too closely related to share A COMMON ACRONYM.` A criterion for tolerable homonymy - distance between the spheres, not the collision itself— “Soon thereafter, many authors began using the acronym PFC and have defined it in many different ways. As a result, the meaning of the acronym PFC is unclear and not well defined. Moreover, we consider this choice to have been an unfortunate and inappropriate one, given that the acronym PFC has been used in official Kyoto Protocol documents…mechanisms[0]
mechanismAND BOTH DIRECTIONS OF THE MANY-TO-MANY FAILURE, IN ONE SENTENCE: `a given compound has often been denoted by a variety of different names and acronyms, or a given acronym has been used to represent different substances. In addition, names to describe broad groups of substances have proliferated that in some instances mistakenly portray substances that are very different from one another as being the same. As a result, the scientific literature for these substances has at times become confusing.` One name to many things, one thing to many names, and a third failure where the GROUP name asserts a false identity— “In the existing body of literature, including governmental reports, authors have created terminology, names, and acronyms to describe these substances. Unfortunately, inconsistencies have inevitably arisen between various groups of authors. In the absence of any concerted effort between scientists to agree on a common terminology to designate…mechanisms[1]
mechanismAND THE NOMENCLATURE COMPROMISES CORRECTNESS AGAINST INSTALLED USAGE, ON PURPOSE: `We have nevertheless refrained from creating an all new nomenclature but have retained - as far as possible - the most popular terms and acronyms used by authors to date. In other words, our proposals result from A pragmatic compromise among textbook and/OR IUPAC CHEMICAL NOMENCLATURE, UNIVERSAL CONSISTENCY, AND FREQUENTLY ADOPTED `LEGACY` USAGE.` The same decision EWGSOP made keeping `sarcopenia`, stated here as a three-way trade-off with the axes named— “We have nevertheless refrained from creating an all new nomenclature but have retained—as far as possible—the most popular terms and acronyms used by authors to date. In other words, our proposals result from a pragmatic compromise among textbook and/or International Union for Pure and Applied Chemistry (IUPAC) chemical nomenclature…mechanisms[2]
mechanismAND TWO NOMENCLATURES COEXIST BY A DECLARED DIVISION OF LABOUR: `the substance terminology, names and acronyms proposed in this article are IN NO WAY INTENDED TO COMPETE WITH OR SUPPLANT IUPAC OR CAS NOMENCLATURE. The latter names are the designations of choice when A specific substance needs to be unequivocally identified, e.g., in official regulatory documents. Our intention is to provide terminology ... for pragmatic everyday use.` One vocabulary for identification, one for conversation, and the second says so - with the worked example running from a 58-character IUPAC name to the acronym EtFOSE— “It is important to note that the substance terminology, names and acronyms proposed in this article are in no way intended to compete with or supplant IUPAC or Chemical Abstracts Service (CAS) nomenclature. The latter names are the designations of choice when a specific substance needs to be unequivocally identified, e.g., in official…mechanisms[3]
mechanismAND AN IDENTIFIER IS OFFERED AS THE REPAIR FOR A NAME: `Rigor can always be ensured by appending the appropriate CAS Registry Number when each compound is first mentioned in a publication. We encourage this practice and provide CAS numbers for many commonly discussed compounds.` The convenient name is allowed to be imprecise because a precise key travels beside it— “Rigor can always be ensured by appending the appropriate CAS Registry Number when each compound is first mentioned in a publication. We encourage this practice and provide CAS numbers for many commonly discussed compounds in the Supplemental Data.”mechanisms[4]
mechanismAND A THRESHOLD IS ADOPTED SPECIFICALLY TO REMOVE SUBJECTIVITY: `PFASs ... are frequently referred to as `LONG-CHAIN` or `SHORT-CHAIN`. To avoid any subjectivity associated with these adjectives, we urge scientists to adopt the definition provided by the OECD` - eight carbons and greater for the carboxylic acids, SIX for the sulfonates. Two numbers for one adjective, in one paper— “PFASs, especially the perfluoroalkyl acids and their anions, are frequently referred to as “long-chain” or “short-chain.” To avoid any subjectivity associated with these adjectives, we urge scientists to adopt the definition provided by the Organisation for Economic Co-operation and Development (OECD 2011 ), which stipulates that “long-chain”…mechanisms[5]
mechanismAND THE TWO NUMBERS DIFFER FOR AN EMPIRICAL REASON, NOT A CHEMICAL ONE: `The `LONG-CHAIN` DEFINITIONS FOR PFCAs AND PFSAs are different in number of C ATOMS BECAUSE a PFSA with a given number of carbons HAS A greater tendency to bioconcentrate and/OR BIOACCUMULATE than a PFCA with the same number of C atoms.` The class boundary tracks the behaviour the regulators care about, so one word carries two thresholds— “The “long-chain” definitions for PFCAs and PFSAs are different in number of C atoms because a PFSA (e.g., PFHxS, C 6 F 13 SO 3 H) with a given number of carbons (6 in the example given) has a greater tendency to bioconcentrate and/or bioaccumulate than a PFCA with the same number of C atoms (e.g., PFHxA, C 5 F 11 COOH) (Martin et al. 2003a…mechanisms[6]
mechanismAND LEGACY USAGE IS ENCODED DELIBERATELY IN A SUBSET RULE: `In compliance with time-honored usage within the industry, we recommend further that the term `FLUOROPOLYMERS` be applied only to a distinct subset of fluorinated polymers, namely, those made by (co)polymerization of olefinic monomers ... to form a carbon-only polymer backbone with F atoms directly attached to it.` The narrower term is kept narrow because the industry already uses it that way— “In compliance with time-honored usage within the industry, we recommend further that the term “fluoropolymers” be applied only to a distinct subset of fluorinated polymers, namely, those made by (co)polymerization of olefinic monomers, at least one of which contains F bound to one or both of the olefinic C atoms, to form a carbon-only polymer…mechanisms[7]
mechanismAND FOUR WORDS ARE DECLARED INTERCHANGEABLE WITH A NAMED EXCEPTION: `the terms `SUBSTANCE,` `COMPOUND,` `CHEMICAL,` AND `SPECIES` ARE USED INTERCHANGEABLY for designating a given molecular structure, although it is recognized that in other contexts their meanings may not be identical. For example, in the European REACH legislation, a `SUBSTANCE` may include impurities and stabilizers in addition to the main constituent.` A local synonymy declared, scoped, and shown where it fails— “It should be noted that in this article, the terms “substance,” “compound,” “chemical,” and “species” are used interchangeably for designating a given molecular structure, although it is recognized that in other contexts their meanings may not be identical. For example, in the European REACH legislation (European Parliament 2006a ), a…mechanisms[8]
mechanismA NEW AXIS FOR NAME-SPLITTING: LANGUAGE OF PUBLICATION. `The term “tenside” is encountered most frequently in publications of German origin, and the synonym “surfactant” is preferred in English.` Every other split in this corpus runs across disciplines or across time. This one runs across a language boundary, and an English-language review has to name both to be searchable.— “The term “tenside” is encountered most frequently in publications of German origin, and the synonym “surfactant” is preferred in English”mechanisms[9]
mechanismAND A SCIENTIFIC DEFINITION DEFERRING EXPLICITLY TO COMMERCIAL CUSTOM: `In compliance with time-honored usage within the industry, we recommend further that the term “fluoropolymers” be applied only to a distinct subset of fluorinated polymers.` The justification is neither composition nor function nor measurability - it is INCUMBENT USAGE IN A COMMERCIAL COMMUNITY, and the paper gives it as sufficient reason.— “In compliance with time-honored usage within the industry, we recommend further that the term “fluoropolymers” be applied only to a distinct subset of fluorinated polymers”mechanisms[10]
extends IUPAC and Chemical Abstracts Service nomenclature, which this paper explicitly does NOT seek to supplant - 'the designations of choice when a specific substance needs to be unequivocally identified'— “It is important to note that the substance terminology, names and acronyms proposed in this article are in no way intended to compete with or supplant IUPAC or Chemical Abstracts Service (CAS) nomenclature. The latter names are the designations of choice when a specific substance needs to be unequivocally identified, e.g., in official…claim_relations[0]
extends the OECD (2011) numeric definition of 'long-chain', adopted here to remove the subjectivity of the adjective— “PFASs, especially the perfluoroalkyl acids and their anions, are frequently referred to as “long-chain” or “short-chain.” To avoid any subjectivity associated with these adjectives, we urge scientists to adopt the definition provided by the Organisation for Economic Co-operation and Development (OECD 2011 ), which stipulates that “long-chain”…claim_relations[1]
sense`PFAS` (this paper) - `perfluoroalkyl AND polyfluoroalkyl substances`: aliphatic substances containing the perfluoroalkyl moiety CnF2n+1-, covering BOTH the fully-substituted and the partly-substituted cases— “More explicitly, we recommend that the family of compounds denoted by the acronym PFAS should encompass: Perfluoroalkyl substances, which are defined as aliphatic substances for which all of the H atoms attached to C atoms in the nonfluorinated substance from which they are notionally derived have been replaced by F atoms, except those H…senses[0]
sense`PFC` - reserved here EXCLUSIVELY for `perfluorocarbons`, because the Kyoto Protocol has used it that way since 1997; its use for `perfluorochemicals` is called `an unfortunate and inappropriate` choice— “Soon thereafter, many authors began using the acronym PFC and have defined it in many different ways. As a result, the meaning of the acronym PFC is unclear and not well defined. Moreover, we consider this choice to have been an unfortunate and inappropriate one, given that the acronym PFC has been used in official Kyoto Protocol documents…senses[1]
sense`fluoropolymers` vs `fluorinated polymers` - the broad term covers any polymer with F in a monomer unit; the narrow one is restricted to a `distinct subset` by `time-honored usage within the industry`— “In compliance with time-honored usage within the industry, we recommend further that the term “fluoropolymers” be applied only to a distinct subset of fluorinated polymers, namely, those made by (co)polymerization of olefinic monomers, at least one of which contains F bound to one or both of the olefinic C atoms, to form a carbon-only polymer…senses[2]
sense`long-chain` - defined numerically by the OECD to remove subjectivity, and with TWO different carbon counts: 8 or more for the carboxylic acids, 6 or more for the sulfonates— “PFASs, especially the perfluoroalkyl acids and their anions, are frequently referred to as “long-chain” or “short-chain.” To avoid any subjectivity associated with these adjectives, we urge scientists to adopt the definition provided by the Organisation for Economic Co-operation and Development (OECD 2011 ), which stipulates that “long-chain”…senses[3]
sense`tenside` / `surfactant` - TWO NAMES FOR ONE THING, SPLIT BY THE LANGUAGE OF THE PUBLISHING COMMUNITY, AND THE PAPER SAYS SO OUTRIGHT: `The term “tenside” is encountered most frequently in publications of German origin, and the synonym “surfactant” is preferred in English.` Not two fields, not two decades - two languages.— “The term “tenside” is encountered most frequently in publications of German origin, and the synonym “surfactant” is preferred in English”senses[4]
controlretaining the most popular existing terms and acronyms instead of minting a new system — partial— “In the existing body of literature, including governmental reports, authors have created terminology, names, and acronyms to describe these substances. Unfortunately, inconsistencies have inevitably arisen between various groups of authors. In the absence of any concerted effort between scientists to agree on a common terminology to designate… — rules out a correct nomenclature nobody adopts - the failure mode of every naming reform— “We have nevertheless refrained from creating an all new nomenclature but have retained—as far as possible—the most popular terms and acronyms used by authors to date. In other words, our proposals result from a pragmatic compromise among textbook and/or International Union for Pure and Applied Chemistry (IUPAC) chemical nomenclature…controls[0]
controlappending the CAS Registry Number when a compound is first mentioned — held— “It is important to note that the substance terminology, names and acronyms proposed in this article are in no way intended to compete with or supplant IUPAC or Chemical Abstracts Service (CAS) nomenclature. The latter names are the designations of choice when a specific substance needs to be unequivocally identified, e.g., in official… — rules out ambiguity in the short convenient name, without making the short name longer— “Rigor can always be ensured by appending the appropriate CAS Registry Number when each compound is first mentioned in a publication. We encourage this practice and provide CAS numbers for many commonly discussed compounds in the Supplemental Data.”controls[1]
controladopting the OECD's numeric definition of 'long-chain' rather than the adjective — held— “The “long-chain” definitions for PFCAs and PFSAs are different in number of C atoms because a PFSA (e.g., PFHxS, C 6 F 13 SO 3 H) with a given number of carbons (6 in the example given) has a greater tendency to bioconcentrate and/or bioaccumulate than a PFCA with the same number of C atoms (e.g., PFHxA, C 5 F 11 COOH) (Martin et al. 2003a… — rules out 'any subjectivity associated with these adjectives'— “PFASs, especially the perfluoroalkyl acids and their anions, are frequently referred to as “long-chain” or “short-chain.” To avoid any subjectivity associated with these adjectives, we urge scientists to adopt the definition provided by the Organisation for Economic Co-operation and Development (OECD 2011 ), which stipulates that “long-chain”…controls[2]
weightIUPAC and Chemical Abstracts Service nomenclature, which this paper explicitly does NOT seek to supplant - 'the designations of choice when a specific substance needs to be unequivocally identified' — 0.9— “It is important to note that the substance terminology, names and acronyms proposed in this article are in no way intended to compete with or supplant IUPAC or Chemical Abstracts Service (CAS) nomenclature. The latter names are the…claim_relations[0]
weightthe OECD (2011) numeric definition of 'long-chain', adopted here to remove the subjectivity of the adjective — 0.9
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claim_relations[1]
notePFAS —distinct-from→ PFC — 'A GIVEN ACRONYM MAY…' This is the rule the corpus lacked for 'priming effect' meaning one thing in psychology and another in soil science: the homonymy is fine until the fields touch
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concept_edges[0]
relationPFAS —distinct-from→ PFC — two classes too closely related to share an acronym - the criterion is the DISTANCE BETWEEN THE SPHERES OF USE, not the collision itself
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concept_edges[0]
weightPFAS —distinct-from→ PFC — 0.95
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concept_edges[0]
notefluoropolymers —part-of→ fluorinated polymers — `In compliance with time-honored usage within the industry, we recommend further that the term `fluoropolymers` be applied only to a distinct subset of fluorinated polymers.` The containment is a naming decision, not a chemical fact - the narrower term could have been the broader one and the paper says why it is not
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concept_edges[1]
relationfluoropolymers —part-of→ fluorinated polymers — 'fluoropolymers' is restricted to a DISTINCT SUBSET of fluorinated polymers, in compliance with time-honoured industry usage
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concept_edges[1]
weightfluoropolymers —part-of→ fluorinated polymers — 0.95
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concept_edges[1]
notePFCAs —distinct-from→ PFSAs — `The `LONG-CHAIN` DEFINITIONS FOR PFCAs AND PFSAs are different in number of C ATOMS because a PFSA with a given number of carbons HAS A greater tendency to bioconcentrate and/OR BIOACCUMULATE than a PFCA with the same number.` One word, two thresholds, and the gap between them is a measurement
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concept_edges[2]
relationPFCAs —distinct-from→ PFSAs — 'long-chain' means eight carbons for one family and six for the other, because the sulfonates bioaccumulate more at the same chain length
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concept_edges[2]
weightPFCAs —distinct-from→ PFSAs — 0.95
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concept_edges[2]
outcomecontrol — partial
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controls[0]
outcomecontrol — held
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controls[1]
outcomecontrol — held
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controls[2]
limitationTHE NOMENCLATURE HAS TO COVER MORE THAN IT LISTS: `The Supplemental Data lists 42 families and subfamilies of PFASs and 268 selected individual compounds, providing recommended names and acronyms, and structural formulas, as well as Chemical Abstracts Service registry numbers.` `Selected` is the load-bearing word: the families are enumerable, the compounds are not
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limitations[0]
limitationAND THE NAMES SIT ON TOP OF A COMBINATORIAL PROBLEM: `PFOS is routinely present in many environmental samples AS A mixture of the linear isomer and 10 BRANCHED ISOMERS, WHEREAS 89 congeners are theoretically possible.` One recommended name covers eleven observed substances out of eighty-nine possible ones
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limitations[1]
limitationand the field it is trying to standardise was already producing over four hundred papers a year: `the scientific literature on the environmental and toxicological aspects of PFASs has burgeoned rapidly, and the rate of publication currently exceeds 400 articles per year` - a decade after the first reports. The nomenclature arrives after the usage it must harmonise
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limitations[2]
Content tags
content-observations: finding · quantity · variable · definition · key-term — grounded in the full text
finding
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content_tags.findings[0]
finding
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content_tags.findings[1]
finding
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content_tags.findings[2]
finding
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content_tags.findings[3]
finding
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content_tags.findings[4]
finding
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content_tags.findings[5]
quantity42 families and subfamilies, 268 selected individual compounds —
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content_tags.quantities[0]
quantity8 carbons for PFCAs, 6 for PFSAs —
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content_tags.quantities[1]
quantity1 linear plus 10 branched observed, 89 congeners theoretically possible —
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content_tags.quantities[2]
quantityover 400 articles per year —
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content_tags.quantities[3]
variableperfluoroalkyl moiety
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content_tags.variables[0]
definitionPFAS
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content_tags.definitions[0]
definitionlong-chain
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content_tags.definitions[1]
definitionfluoropolymers
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content_tags.definitions[2]
Concepts
terms this paper carries, each with the sentence it was cut from — the layer that joins one paper to another. Terms with no quote yet are on CONCEPTS.html.
conceptPFAS — not defined in this paper's own words; perfluoroalkyl and polyfluoroalkyl substances - the class this nomenclature is for
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concepts[0]
conceptPFC — not defined in this paper's own words; perfluorocarbons in the Kyoto Protocol, and an acronym this paper takes back from the PFAS literature
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concepts[1]
conceptfluoropolymers — not defined in this paper's own words; the industry's narrow sense: polymers with a carbon-only backbone carrying F
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concepts[2]
conceptfluorinated polymers — not defined in this paper's own words; the broad term for any polymer with F in a monomer unit
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concepts[3]
conceptPFCAs — not defined in this paper's own words; perfluoroalkyl carboxylic acids - 'long-chain' at eight carbons and greater
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concepts[4]
conceptPFSAs — not defined in this paper's own words; perfluoroalkane sulfonates - 'long-chain' at SIX carbons and greater, because they bioaccumulate more at the same chain length
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concepts[5]
concepttenside — not defined in this paper's own words; the same substance class as 'surfactant', and the two names are split by LANGUAGE OF PUBLICATION rather than by field or by date
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concepts[6]
Statistics — cross-field join keys
field-invariant statistical terms, used in their statistical sense (gated on a number / symbol / test). A p-value or a standard deviation means the SAME thing in physics, biology, psychology and sociology — so these are the strongest cross-field join keys. Grounded verbatim.
count of congeners
Quotation withheld — this paper is not ours to reproduce, and the page has already quoted as much of it as the rights layer allows. The tag, its field and its confidence stand; the sentence is at the publisher.
content_tags.statistics[0]

When we have changed our mind. Some entries in the table begin with a word in capitals and the reason for it. EVIDENCE CORRECTED — the finding still stands, but we had quoted the wrong sentence from the paper, and the quotation has been replaced with the right one. RETRACTED — the entry itself was wrong; it stays on the page, marked, with the reason, rather than being deleted. WITHDRAWN AND REPLACED — the entry was wrong, and a corrected version of it appears in the entries below. Each mark carries its own reason, in brackets, because the reasons differ from one entry to the next. An entry we have WITHDRAWN is removed from this page and kept in the record, with its reason. A line reading Audit and a date is a later re-reading of the entry against its whole sentence: DOUBTFUL means it was kept, and the reason says what is loose about it. Quotation marks inside the tagger's sentence. Where a tag is the tagger's own sentence, a phrase in quotation marks inside it is borrowed from the paper — the tagger's wording around it is not. The paper's own sentence is the evidence quote for that row; on this page it is withheld with the article, and the article is at its publisher. Nothing inside quotation marks anywhere on this page is ours: if it is quoted, it is the paper's. Whose words a concept carries. A concept entry records a term the paper itself uses, so the term, the sense given for it, and its evidence are the paper's own words, quoted where the paper fixes them. This is the opposite of a sense entry in the tag table, which is the tagger's sentence about how the paper uses a term. Where a concept entry could not be grounded in the paper's words, the entry says so on its own row.

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