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Record W2067187711 · doi:10.1021/cg900379n

Supramolecular Walls from Cyclic Peptides: Modulating Nature and Strength of Weak Interactions

2009· article· en· W2067187711 on OpenAlexaff
Pierre Baillargeon, Yves L. Dory

Bibliographic record

VenueCrystal Growth & Design · 2009
Typearticle
Languageen
FieldMaterials Science
TopicSupramolecular Self-Assembly in Materials
Canadian institutionsUniversité de Sherbrooke
Fundersnot available
Keywordsvan der Waals forceHydrogen bondSupramolecular chemistryChemistryIntramolecular forceNon-covalent interactionsCrystallographyStereochemistryStack (abstract data type)MoleculeCrystal structureOrganic chemistry

Abstract

fetched live from OpenAlex

Both macrolactams cyclo-[NH−CH 2 −C≡C−CH 2 −C(Me) 2 -CO] n ( n = 3 and n = 2) have been synthesized and crystallized. They have respectively one intramolecular hydrogen bond and no such bond. Both macrocycles self-assemble as parallel supramolecular walls with or without inclusion of solvent between them. The units of the former ( n = 3) are held together by NH···π/NH···OC interactions, whereas they are glued by a very dense network of classical parallel-oriented hydrogen bonds, involving all the amides of the rings, in the latter ( n = 2). In that case, the bulky C(Me) 2 groups are located on the surface of the walls and can be held responsible for the piling process of the layers, by means of attractive van der Waals interactions. This spatial arrangement recalls the 3D structure of cellulose, where all constitutive sheets stack mostly via van der Waals forces.

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)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow)
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 score0.019
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.001
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 head0.012
GPT teacher head0.254
Teacher spread0.242 · 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.

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

Citations16
Published2009
Admission routes1
Has abstractyes

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