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Record W2555391801 · doi:10.1107/s2414314616017065

[1–9-NαC]-Linusorb B3 (cyclolinopeptide A) acetonitrile disolvate

2016· article· en· W2555391801 on OpenAlexafffund
J.M. Chitanda, Jianfeng Zhu, Philip Mausberg, Peta‐Gaye G. Burnett, Martin J. T. Reaney

Bibliographic record

VenueIUCrData · 2016
Typearticle
Languageen
FieldChemistry
TopicCarbohydrate Chemistry and Synthesis
Canadian institutionsUniversity of Saskatchewan
FundersNatural Sciences and Engineering Research Council of CanadaMinistry of Agriculture - Saskatchewan
KeywordsAcetonitrileChemistryIntramolecular forceHydrogen bondMoleculeCrystal structureStereochemistryRing (chemistry)CrystallographyOrganic chemistry

Abstract

fetched live from OpenAlex

The title compound, C 57 H 85 N 9 O 9 ·2C 2 H 3 N [systematic name: cyclo -(prolyl-prolyl-phenylalanyl-phenylalanyl-leucyl-isoleucyl-isoleucylleucyl-valyl) acetonitrile disolvate; synonym: cyclolinopeptide acetonitrile disolvate], is a polypeptide with nine amino acids, viz. NαC-(Pro 1 –Pro 2 –Phe 3 –Phe 4 –Leu 5 –Ile 6 –Ile 7 –Leu 8 –Val 9 ). It was extracted from flaxseed oil and crystallized from acetonitrile as a disolvate. In the title molecule, there are four intramolecular N—H...O hydrogen bonds. One of the two acetonitrile molecules is hydrogen bonded to Phe 3 via an N—H...N hydrogen bond, while the second acetonitrile molecule is located at the other side of the peptide ring and is linked to the title molecule by a C—H...N hydrogen bond. In the crystal, molecules are linked by N—H...O hydrogen bonds, forming chains along the a -axis direction. The chains are linked by C—H...O hydrogen bonds, forming undulating layers parallel to the ac plane.

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 categoriesInsufficient payload (model declined to judge)
Consensus categoriesInsufficient payload (model declined to judge)
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 score0.179
Threshold uncertainty score1.000

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 science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0110.001

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 head0.015
GPT teacher head0.221
Teacher spread0.205 · 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

Citations5
Published2016
Admission routes2
Has abstractyes

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