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Record W2325628913 · doi:10.1021/ja001188p

Differential Hydration of α,ω-Aminocarboxylic Acids in D<sub>2</sub>O and H<sub>2</sub>O

2000· article· en· W2325628913 on OpenAlex
Olga Likhodi, Tigran V. Chalikian

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueJournal of the American Chemical Society · 2000
Typearticle
Languageen
FieldChemical Engineering
TopicThermodynamic properties of mixtures
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsChemistryCompressibilityAdiabatic processThermodynamicsMolar volumeGroup (periodic table)Organic chemistryPhysics

Abstract

fetched live from OpenAlex

We report the relative molar sound velocity increments, [ U ], partial molar volumes, V °, expansibilities, E °, and adiabatic compressibilities, K ° S, for a homologous series of eight α,ω-aminocarboxylic acids in D 2 O solution within the temperature range of 18−55 °C. We use the resulting data to estimate the volume, expansibility, and adiabatic compressibility contributions of the component aliphatic (methylene groups) and charged (oppositely charged amino and carboxyl termini) chemical groups. We compare these group contributions with similar group contributions for the same set of α,ω-aminocarboxylic acids in H 2 O (Chalikian, T. V.; Sarvazyan, A. P.; Breslauer, K. J. J. Phys. Chem. 1993, 97, 13017−13026). We use these data to characterize quantitatively the differential hydration properties of charged and hydrophobic groups in D 2 O and H 2 O. Taken together, our results suggest that the hydration properties of hydrophobic and charged groups in D 2 O, as reflected in their volume, expansibility, and compressibility contributions, are measurably distinct from those in H 2 O. Significantly, these volumetric characteristics of the solute hydration differ not only in their absolute values but also in their temperature dependences. Such characteristics should prove useful in developing a better understanding of the role of differential D 2 O/H 2 O hydration in modulating thermal and thermodynamic stability of proteins. In addition, these results represent a further step in building up an empirical database of differential volumetric parameters of protein functional groups in D 2 O and H 2 O. Such a database is required for developing a methodology in which differential volumetric measurements in D 2 O and H 2 O can be employed to gain insight into the amount and chemical nature of solvent-exposed protein groups in the absence of structural information.

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.

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 score0.022
Threshold uncertainty score0.708

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0010.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.001
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 head0.004
GPT teacher head0.194
Teacher spread0.189 · 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