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Record W3155230446 · doi:10.1002/cphc.202100165

Hyperpolarisation of Mirfentanil by SABRE in the Presence of Heroin

2021· article· en· W3155230446 on OpenAlexfundno aff
Thomas B. R. Robertson, Nicolas Gilbert, Oliver B. Sutcliffe, Ryan E. Mewis

Bibliographic record

VenueChemPhysChem · 2021
Typearticle
Languageen
FieldChemistry
TopicAdvanced NMR Techniques and Applications
Canadian institutionsnot available
FundersNatural Sciences and Engineering Research Council of CanadaManchester Metropolitan University
KeywordsIMesChemistryMethanolMedicinal chemistryStereochemistryPhotochemistryCatalysisOrganic chemistryCarbene

Abstract

fetched live from OpenAlex

Abstract Mirfentanil, a fentanyl derivative that is a μ ‐opioid partial agonist, is hyperpolarised via Signal Amplification By Reversible Exchange (SABRE), a para ‐hydrogen‐based technique. [Ir(IMes)(COD)Cl] (IMes=1,3‐ bis (2,4,6‐trimethylphenyl)imidazole‐2‐ylidene, COD=cyclooctadiene) was employed as the polarisation transfer catalyst. Following polarisation transfer at 6.5 mT, the pyrazine‐protons were enhanced by 78‐fold (polarisation, P=0.04 %). The complex [Ir(IMes)(H) 2 (mirfentanil) 2 (MeOH)] + is proposed to form based on the observation of two hydrides at δ −22.9 ( trans to mirfentanil) and −24.7 ( trans to methanol). In a mixture of mirfentanil and heroin, the former could be detected using SABRE at concentrations less than 1 % w/w. At the lowest concentration analyzed, the amount of mirfentanil present was 0.18 mg (812 μ M) and produced a signal enhancement of −867‐fold (P=0.42 %). following polarisation transfer at 6.5 mT.

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 score0.013
Threshold uncertainty score0.223

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 head0.015
GPT teacher head0.273
Teacher spread0.258 · 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

Citations9
Published2021
Admission routes1
Has abstractyes

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