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Record W2004931958 · doi:10.1021/cg1002435

The Brønsted-Lowry Reaction Revisited: Glass-Forming Properties of Salts of 1,5-Dimexylbiguanide

2010· article· en· W2004931958 on OpenAlexaff
Simão P. Carvalho, Ruiyao Wang, Haotian Wang, Brian Ball, Olivier Lebel

Bibliographic record

VenueCrystal Growth & Design · 2010
Typearticle
Languageen
FieldMaterials Science
TopicGlass properties and applications
Canadian institutionsQueen's UniversityRoyal Military College of Canada
Fundersnot available
KeywordsDifferential scanning calorimetryCrystallizationIonic bondingConformational isomerismCrystallographyChemistryCrystal (programming language)Density functional theorySulfonic acidActivation energyPolymer chemistryMaterials scienceChemical engineeringMoleculePhysical chemistryOrganic chemistryThermodynamicsComputational chemistryIonPhysics

Abstract

fetched live from OpenAlex

Ionic molecular glasses can be conveniently prepared by reacting 1,5-dimexylbiguanide with a wide variety of carboxylic and sulfonic acids. A library of 51 salts has been prepared and studied by differential scanning calorimetry, 25 of which readily form glassy phases and do not recrystallize upon heating or standing. The crystal structures of 1,5-dimexylbiguanide and six of its salts have been solved and studied, and show extended hydrogen-bonded networks. Curiously, 1,5-dimexylbiguanide, which is extremely stable toward crystallization, crystallized in a close-packed, regular structure, unlike most related glass-forming compounds. This apparent paradox was probed with density functional theory calculations which revealed the presence of two conformers of similar energy, thus contributing to frustrate crystallization.

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)0.001
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 score0.003
Threshold uncertainty score0.372

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
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 head0.025
GPT teacher head0.226
Teacher spread0.201 · 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

Citations8
Published2010
Admission routes1
Has abstractyes

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