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Record W2331888610 · doi:10.1021/jp205712c

Absolute Orientation of Ester Side Chains on the PMMA Surface

2011· article· en· W2331888610 on OpenAlexafffund
Kailash C. Jena, Paul A. Covert, Shaun A. Hall, Dennis K. Hore

Bibliographic record

VenueThe Journal of Physical Chemistry C · 2011
Typearticle
Languageen
FieldPhysics and Astronomy
TopicSpectroscopy and Quantum Chemical Studies
Canadian institutionsUniversity of Victoria
FundersNatural Sciences and Engineering Research Council of Canada
KeywordsMethyl methacrylateHyperpolarizabilityReactivity (psychology)Phase (matter)PolymerHydrogen bondMonolayerPoly(methyl methacrylate)ChemistryTensor (intrinsic definition)SpectroscopyMethyl groupSide chainPolymer chemistryHydrogenMoleculeMaterials scienceOrganic chemistryGroup (periodic table)PolymerizationPhysicsGeometry

Abstract

fetched live from OpenAlex

Phase-resolved sum-frequency generation spectroscopy has been used to measure the complex, nonlinear susceptibility spectra of the ester methyl groups at the poly(methyl methacrylate)–air interface. The response of the ester methyl symmetric stretch is found to be in phase with that of the aliphatic methyl symmetric stretch in an ordered octadecylsilane monolayer. However, because the local bonding environments of these two methyl groups differ significantly, the signs of the molecular hyperpolarizability tensor elements are not necessarily the same. Therefore, the ester methyl orientation cannot be inferred from the phase measurements alone. To address this ambiguity, the relevant tensor elements were calculated for both types of methyl groups. Results of these calculations, combined with spectroscopic evidence, indicate that the ester methyl groups at the polymer surface are oriented with their hydrogen atoms directed toward the air. This finding may be used to better understand the hydrophobicity and reactivity of the polymer surface.

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 score0.014
Threshold uncertainty score0.194

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 head0.023
GPT teacher head0.254
Teacher spread0.232 · 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

Citations37
Published2011
Admission routes2
Has abstractyes

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