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Record W2073536496 · doi:10.1021/jp053694c

Headgroup Motion in a Lyotropic Lamellar Phase by Deuterium and Nitrogen-14 Relaxation Studies

2005· article· en· W2073536496 on OpenAlexaff
Ronald Y. Dong, Yanbin Chen

Bibliographic record

VenueThe Journal of Physical Chemistry B · 2005
Typearticle
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsBrandon UniversityUniversity of Manitoba
Fundersnot available
KeywordsDeuteriumChemistryLyotropic liquid crystalDeuterium NMRRelaxation (psychology)LyotropicMethyleneMoleculeLamellar structurePhase (matter)Lamellar phaseMolecular dynamicsLiquid crystalChemical physicsNuclear magnetic resonance spectroscopyNuclear magnetic resonanceCrystallographyComputational chemistryStereochemistryOrganic chemistryMaterials scienceAtomic physicsPhysicsLiquid crystalline

Abstract

fetched live from OpenAlex

Deuterium (2H) and nitrogen-14 (14N) NMR spectroscopy were used to investigate the molecular dynamics of a lyotropic liquid crystal. Deuterium spectral densities of motion for the C1 deuterated site on the chain of the molecule decylammonium chloride (DACl) at the Larmor frequency 61.4 MHz and those for the (14)N at the headgroup (NH(3)(+)) at 28.9 MHz are analyzed quantitatively in the lamellar phase of the DACl-d(11)/water binary system to shed light on the headgroup dynamics. The motional model used is the small step rotational diffusion for reorientations plus internal rotations of the methylene group in the strong collision limit. The tumbling motion of the long axis of the DACl molecule in the aggregates seems to be as rigorous as the molecular spinning motion, likely due to the proposed motional model. The similarity of deuterium spectral densities from the C1 and C2/C3 sites may indicate a relatively rigid unit of C1-C2-C3 in the backbone.

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 machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: metacan-v3-hybrid-931329e0061cValidation 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 score0.002
Threshold uncertainty score0.004

Distilled classifier scores by category (both heads)

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)0.0010.000

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 head0.011
GPT teacher head0.292
Teacher spread0.282 · 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 source (direct Gemma or distilled Codex), 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

Citations4
Published2005
Admission routes1
Has abstractyes

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