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Record W3167679542 · doi:10.1002/jrs.6164

Quantification of the nonlinear susceptibility of the hydrogen and deuterium stretch vibration for biomolecules in coherent Raman micro‐spectroscopy

2021· article· en· W3167679542 on OpenAlexfundno aff
Dale Boorman, Iestyn Pope, Francesco Masia, Peter Watson, Paola Borri, W. Langbein

Bibliographic record

VenueJournal of Raman Spectroscopy · 2021
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicSpectroscopy Techniques in Biomedical and Chemical Research
Canadian institutionsnot available
FundersEuropean Regional Development FundEngineering and Physical Sciences Research CouncilMedical Research CouncilDirectorate for Biological SciencesBiotechnology and Biological Sciences Research CouncilCardiff UniversityEuropean CommissionLlywodraeth CymruMedical Research Council CanadaGlaxoSmithKline
KeywordsRaman spectroscopyDeuteriumChemistryBiomoleculeScalingMolecular vibrationAnalytical Chemistry (journal)VibrationNuclear magnetic resonanceOpticsAtomic physicsPhysicsBiochemistryChromatography

Abstract

fetched live from OpenAlex

Abstract Deuterium labelling is increasingly used in coherent Raman imaging of complex systems, such as biological cells and tissues, to improve chemical specificity. Nevertheless, quantitative coherent Raman susceptibility spectra for deuterated compounds have not been previously reported. Interestingly, it is expected theoretically that –D stretch vibrations have a Raman susceptibility lower than –H stretch vibrations, with the area of their imaginary part scaling with their wavenumber, which is shifted from around 2900 cm −1 for C–H into the silent region around 2100 cm −1 for C–D. Here, we report quantitative measurements of the nonlinear susceptibility of water, succinic acid, oleic acid, linoleic acid and deuterated isoforms. We show that the –D stretch vibration has indeed a lower area, consistent with the frequency reduction due to the doubling of atomic mass from hydrogen to deuterium. This finding elucidates an important trade‐off between chemical specificity and signal strength in the adoption of deuterium labelling as an imaging strategy for coherent Raman microscopy.

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 score0.009
Threshold uncertainty score0.351

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 head0.012
GPT teacher head0.314
Teacher spread0.302 · 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

Citations7
Published2021
Admission routes1
Has abstractyes

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