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Record W4406145438 · doi:10.1063/5.0246333

Quantifying sulfhydryl oxidation rates using Ellman's procedure

2025· article· en· W4406145438 on OpenAlexaff
Wei Cao, Gurpreet S. Matharoo, M. Shajahan G. Razul, Erzsébet Szabó, Katarin MacLeod, Iris J. Joye, David A. Pink

Bibliographic record

VenuePhysics of Fluids · 2025
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicSulfur Compounds in Biology
Canadian institutionsSt. Francis Xavier UniversityUniversity of Guelph
Fundersnot available
KeywordsDTNBAqueous solutionMoleculeReagentCysteineGlutathioneDisulfide bondPhysicsChemistryPhysical chemistryOrganic chemistryEnzymeBiochemistry

Abstract

fetched live from OpenAlex

Ellman's procedure has been used to study the oxidation rates of cysteine (CSH) and glutathione (GSH) in aqueous solutions, and it was reported that, for CSH, the number of sulfhydryl molecules not oxidized became zero at a specific time, called tc, where it was reported to be finite. We point out that under very general considerations, we should observe tc to be unbounded, and it becomes infinite. The reason is that as the process of forming a disulfide bond proceeds, the probability of two CSH molecules finding each other eventually becomes vanishingly small so that the number of unoxidized molecules approach zero only as tc becomes infinite. We used a Smoluchowski equation to model the process of disulfide bond formation in order to understand how a finite tc can be observed. In addition, atomic scale molecular dynamics simulations were carried out in order to study the spatial distributions of CSH and GSH in aqueous solutions. It was found that electrostatic interactions bring about aggregation of these molecules, and we conclude that this aggregation “hides” unoxidized sufhydryl moieties from interacting with (5,5′-dithiobis-(2-nitrobenzoic acid) DTNB of Ellman's reagent, thereby remaining undetected. It will thus appear as if the number of unoxidized moieties has become zero. In order that all sulfhydryl moieties be detected, it is necessary to disrupt the aggregate, as has been carried out for proteins, so as to expose those moieties to be oxidized and be detected.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation 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 score0.019
Threshold uncertainty score0.504

Codex and Gemma teacher scores by category

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

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 head0.035
GPT teacher head0.326
Teacher spread0.292 · 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 teacher head, 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

Citations6
Published2025
Admission routes1
Has abstractyes

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