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Record W2121766244 · doi:10.1021/ja100104m

MASKE: Macroscopic Approach to Studying Kinetics at Equilibrium

2010· article· en· W2121766244 on OpenAlexaff
Victor Okhonin, Maxim V. Berezovski, Sergey N. Krylov

Bibliographic record

VenueJournal of the American Chemical Society · 2010
Typearticle
Languageen
FieldEngineering
TopicMicrofluidic and Capillary Electrophoresis Applications
Canadian institutionsYork University
Fundersnot available
KeywordsChemistryKineticsMoleculeThermodynamicsEquilibrium constantDissociation (chemistry)Computational chemistryPhysical chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

The kinetics of biomolecular interactions at equilibrium is typically studied by "microscopic" methods that monitor concentration fluctuations of molecules in an "observation" volume in which the number of molecules is so small that the equilibrium is statistically impossible. Here, we introduce a "macroscopic" method for studying kinetics of biomolecular interactions at equilibrium which does not rely on monitoring the fluctuation of concentrations. We termed this method MASKE: a "macroscopic approach to studying kinetics at equilibrium". Conceptually, in MASKE, two equilibrium reaction mixtures, "unlabeled" and "labeled", are both prepared with two reactants and their complex; in the labeled mixture, one reactant is labeled for detection. A "macroscopic" amount of the labeled mixture is introduced into a long and narrow reactor filled with the unlabeled mixture, and a differential mobility of the reactant versus the complex is then induced by an external action along the reactor. The kinetics of complex formation and dissociation is then studied from the label-propagation pattern. In this work, we developed the theory of MASKE and experimentally proved it with a capillary as a reactor, a fluorophore as a label, and an electric field as a differential mobility inducer. Two pairs of molecules interacting with significantly different rate constants were used in this proof-of-principle work.

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)0.003
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: none
GenreCandidate signal: Empirical · Consensus signal: none
Teacher disagreement score0.003
Threshold uncertainty score0.010

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.003
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0010.000
Science and technology studies0.0010.002
Scholarly communication0.0010.003
Open science0.0020.002
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0030.001

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 head0.008
GPT teacher head0.223
Teacher spread0.215 · 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

Citations33
Published2010
Admission routes1
Has abstractyes

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Same venueJournal of the American Chemical SocietySame topicMicrofluidic and Capillary Electrophoresis ApplicationsFrench-language works237,207