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Record W2319013272 · doi:10.1021/jp306220q

Hydrogen Bonds and Conformations in Ethylene Glycol under Pressure

2012· article· en· W2319013272 on OpenAlexaff
Chitra Murli, Ning Lu, Zhaohui Dong, Yang Song

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2012
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsWestern University
Fundersnot available
KeywordsRaman spectroscopyHydrogen bondEthylene glycolChemistryInfrared spectroscopyInfraredHydrogenAbsorption (acoustics)Phase transitionEthyleneCrystallographyMoleculeMaterials scienceOrganic chemistryThermodynamics

Abstract

fetched live from OpenAlex

Ethylene glycol (EG) is a model system for studying complex hydrogen bonding networks in biological compounds such as polysaccharides and sugars. Using in situ high-pressure Raman and infrared absorption spectroscopy, we have investigated the pressure induced variation in the conformations and hydrogen bonding interactions in this compound up to 10 GPa. The high-pressure behavior of Raman modes suggests that EG exists as a liquid with a mixture of trans and gauche conformations up to 3.1 GPa. At ∼4 GPa, a liquid-solid transition is evidenced by the appearance of external Raman modes as well as visual observation. Raman and infrared spectra of EG at high pressures indicate that new hydrogen bonding networks are formed prior to liquid-solid transition and the high pressure phase is stabilized to gauche conformation at pressures above 5 GPa.

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 score0.243

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 head0.009
GPT teacher head0.253
Teacher spread0.244 · 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

Citations65
Published2012
Admission routes1
Has abstractyes

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