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Record W3085788606 · doi:10.1002/anie.202011146

Two Spectroscopies in One: Interference of Circular Dichroism and Raman Optical Activity

2020· article· en· W3085788606 on OpenAlexafffund
Tao Wu, Guojie Li, Josef Kapitán, Jiří Kessler, Yunjie Xu, Petr Bouř

Bibliographic record

VenueAngewandte Chemie International Edition · 2020
Typearticle
Languageen
FieldChemistry
TopicMolecular spectroscopy and chirality
Canadian institutionsUniversity of Alberta
FundersGrantová Agentura České RepublikyNatural Sciences and Engineering Research Council of CanadaCanada Research ChairsCompute Canada
KeywordsRaman optical activityCircular dichroismChirality (physics)Vibrational circular dichroismRaman scatteringRaman spectroscopyMagnetic circular dichroismPorphyrinLinear dichroismCircular polarizationChemistryMolecular physicsScatteringChemical physicsPhotochemistryMaterials scienceCrystallographyOpticsChiral symmetryPhysicsSpectral line

Abstract

fetched live from OpenAlex

Previously, we and other laboratories have reported an unusual and strong Raman optical activity (ROA) induced in solvents by chiral dyes. Various theories of the phenomenon appeared, but they were not capable of explaining fully the observed ROA band signs and intensities. In this work, an analysis based both on the light scattering theory and dedicated experiments provides a more complete understanding. For example, double-cell magnetic circular dichroism and magnetic ROA experiments with copper-porphyrin complex show that the induced chirality is observed without any contact of the solvents with the complex. The results thus indicate that a combination of electronic circular dichroism (ECD) with the polarized Raman scattering is responsible for the effect. The degree of circularity of solvent vibrational bands is a principal molecular property participating in the event. The insight and the possibility to predict the chirality transfer promise future applications in spectroscopy, chemical analysis and polarized imaging.

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)0.001
metaresearch head score (Gemma)0.004
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: none
Teacher disagreement score0.003
Threshold uncertainty score0.008

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.004
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0030.001
Science and technology studies0.0010.003
Scholarly communication0.0020.002
Open science0.0020.002
Research integrity0.0020.003
Insufficient payload (model declined to judge)0.0020.001

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 head0.277
Teacher spread0.254 · 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

Citations53
Published2020
Admission routes2
Has abstractyes

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