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Record W2589417445 · doi:10.1002/chem.201781163

Frontispiece: Mechanistic Study of the Stereoselective Hydroxylation of [2‐<sup>2</sup>H<sub>1</sub>,3‐<sup>2</sup>H<sub>1</sub>]Butanes Catalyzed by Cytochrome P450 BM3 Variants

2017· paratext· en· W2589417445 on OpenAlexaff
Chung‐Ling Yang, Cheng‐Hung Lin, Wen‐I Luo, Tsu‐Lin Lee, R. Ramu, Kok Yaoh Ng, Yi‐Fang Tsai, Guor‐Tzo Wei, Steve S.‐F. Yu

Bibliographic record

VenueChemistry - A European Journal · 2017
Typeparatext
Languageen
FieldPharmacology, Toxicology and Pharmaceutics
TopicChemical Reactions and Isotopes
Canadian institutionsEmergent BioSolutions (Canada)
Fundersnot available
KeywordsStereoselectivityCatalysisHydroxylationChemistryStereochemistryOrganic chemistryEnzyme

Abstract

fetched live from OpenAlex

Catalytic mechanism of cytochrome P450 A high H/D kinetic isotope effect (KIE) (18–25) is observed from the hydroxylation of tailored di-deuterated butane substrate, (2S,3S)-[2-2H1,3-2H1]butane, mediated by engineered cytochrome P450 BM3. For the first time, the experimental evidence that supports the participation of quantum tunneling at the secondary C–H bond oxidized by P450 BM3 is demonstrated. This mechanistic revelation provides the basis for the development of biomimetic iron based catalysts for small alkane oxidation or the process for “gas-to-liquid” (GTL) conversion. For more information, see the Full Paper by S. Yu et al. on page 2571 ff.

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)0.002
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow)
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 score0.034
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0020.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0000.000
Science and technology studies0.0010.001
Scholarly communication0.0000.000
Open science0.0020.001
Research integrity0.0010.005
Insufficient payload (model declined to judge)0.0020.001

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 head0.040
GPT teacher head0.333
Teacher spread0.293 · 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; both teacher heads agree on what is shown here.

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

Citations0
Published2017
Admission routes1
Has abstractyes

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