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Record W4319736498 · doi:10.1021/prechem.2c00009

Probing the Impact of Solvent on the Strength of Lewis Acids via Fluorescent Lewis Adducts

2023· article· en· W4319736498 on OpenAlexafffund
Amy Laturski, Joshua R. Gaffen, Paul Demay‐Drouhard, Christopher B. Caputo, Thomas Baumgartner

Bibliographic record

VenuePrecision Chemistry · 2023
Typearticle
Languageen
FieldChemistry
TopicOrganoboron and organosilicon chemistry
Canadian institutionsYork University
FundersNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsCanada Foundation for Innovation
KeywordsLewis acids and basesChemistryAdductSolventSolvationFluorescenceTitrationPolarity (international relations)AffinitiesImplicit solvationComputational chemistryOrganic chemistryStereochemistryCatalysisBiochemistry

Abstract

fetched live from OpenAlex

Various methods have been developed to measure the strength of a Lewis acid. A major challenge for these measurements lies in the complexity that arises from variable solvent interactions and perturbations of Lewis acids as their reaction environment changes. Herein, we investigate the impact of solvent effects on Lewis acids for the first time as measured by the fluorescent Lewis adduct (FLA) method. The binding of a Lewis acid in various solvents reveals a measurable dichotomy between both polarity and donor ability of the solvent. While not strictly separable, we observe that the influence of solvent polarity on Lewis acid unit (LAU) values is distinctly opposite to the influence of donor ability. This dichotomy was confirmed by titration data, illustrating that solvation effects can be appropriately and precisely gauged by the FLA method.

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)0.001
metaresearch head score (Gemma)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.002
Threshold uncertainty score0.006

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0010.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.001
Scholarly communication0.0000.001
Open science0.0000.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0020.000

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 head0.020
GPT teacher head0.272
Teacher spread0.251 · 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 designBench or experimental
Domainnot available
GenreEmpirical

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

Citations22
Published2023
Admission routes2
Has abstractyes

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