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Record W2312934593 · doi:10.1021/jp303619q

Effects of Ethanol and Dimethyl Sulfoxide on the Molecular Organization of H<sub>2</sub>O as Probed by 1-Propanol

2012· article· en· W2312934593 on OpenAlexaff
Takeshi Morita, Peter Westh, Keiko Nishikawa, Yoshikata Koga

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2012
Typearticle
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsUniversity of British Columbia
FundersJapan Society for the Promotion of Science
KeywordsDimethyl sulfoxidePropanolEthanolChemistry1-PropanolMedicinal chemistryComputational chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

We characterized the effects of ethanol (ET) and dimethyl sulfoxide (DMSO) on H(2)O within a limited H(2)O-rich region by the 1-propanol (1P)-probing methodology developed by us earlier. The results are displayed on a two-dimensional map with twin coordinates: one pertaining to hydrophobicity and the other to hydrophilicity. The locus of ET on this map was at a point in between methanol (ME) and 2-propanol (2P) as expected from our earlier findings by thermodynamic studies. That for DMSO, however, was surprisingly more hydrophilic than ME. Similar to N-methyl groups discussed recently (J. Phys. Chem. B 2011, 115, 2995), it was argued that the methyl groups attached to the S atom are made susceptible for direct hydrogen bonding to the surrounding H(2)O molecules due possibly to the electronegativity of the S atom. In view of these findings, we suggest caution to be exercised for the conventional general trend of taking any methyl groups to be "hydrophobic."

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 score0.001
Threshold uncertainty score0.270

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 head0.003
GPT teacher head0.210
Teacher spread0.207 · 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

Citations18
Published2012
Admission routes1
Has abstractyes

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