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Record W3132104108 · doi:10.1016/j.trac.2021.116223

White Analytical Chemistry: An approach to reconcile the principles of Green Analytical Chemistry and functionality

2021· article· en· W3132104108 on OpenAlexafffund
Paweł Mateusz Nowak, Renata Wietecha‐Posłuszny, Janusz Pawliszyn

Bibliographic record

VenueTrAC Trends in Analytical Chemistry · 2021
Typearticle
Languageen
FieldEnvironmental Science
TopicWater Quality Monitoring and Analysis
Canadian institutionsUniversity of Waterloo
FundersNatural Sciences and Engineering Research Council of CanadaUniwersytet Jagielloński w KrakowieNarodowym Centrum Nauki
KeywordsGreen chemistryChemistryExtension (predicate logic)Coherence (philosophical gambling strategy)Biochemical engineeringQuality (philosophy)Computer scienceNanotechnologyManagement scienceMathematicsEngineeringMaterials scienceEpistemologyOrganic chemistryStatisticsPhilosophy

Abstract

fetched live from OpenAlex

The concept of White Analytical Chemistry (WAC) is presented as an extension of Green Analytical Chemistry (GAC). We propose the 12 WAC principles as an alternative to the known 12 GAC principles. In addition to green aspects, WAC takes into account other key criteria affecting the quality of the method, analytical (red) and practical (blue). In reference to the RGB color model, according to which mixing of red, green and blue light beams gives the impression of whiteness, a white analytical method shows the coherence and synergy of the analytical, ecological and practical attributes. Whiteness can also be quantified, based on the assessment of individual principles, as a convenient parameter useful in comparisons and selecting optimal method. WAC is closer to the idea of sustainable development due to a more holistic view, as it strives for a compromise that avoids an unconditional increase in greenness at the expense of functionality.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.009
metaresearch head score (Gemma)0.006
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: Theoretical or conceptual
GenreCandidate signal: Methods · Consensus signal: Methods
Teacher disagreement score0.010
Threshold uncertainty score0.048

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0090.006
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0050.002
Science and technology studies0.0020.017
Scholarly communication0.0100.010
Open science0.0040.010
Research integrity0.0030.007
Insufficient payload (model declined to judge)0.0050.002

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.057
GPT teacher head0.292
Teacher spread0.235 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

The models applied no category: nothing in the taxonomy fit this work.
Study designTheoretical or conceptual
Domainnot available
GenreMethods

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations1,183
Published2021
Admission routes2
Has abstractyes

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