Wiley Online Library : Journal of Raman Spectroscopy
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A comprehensive analysis of metabolomics and lipidomics in areca nut mediated oral submucous fibrosis progression through LCMS and Raman spectroscopy

Habitual consumption of areca nut, also known as betel nut, is known for causing oral submucous fibrosis, a potentially malignant disorder, which is prevalent in the Indian subcontinent. This study focuses on the effect of areca nut on morphology and biomolecular alterations in the fibroblast cells that are part of the connective tissue of the oral...

Wed May 8, 2024 15:39
The pH effects on thermal amyloid fibrillation kinetics of hen egg‐white lysozyme using new normalization factor for Raman spectroscopy

The transformation of HEWL tertiary and secondary structures in amyloid fibrillation is significantly accelerated with increasing acidity. In particular, the branching ratios of “on-pathway” to amyloid fibrils with rich organized β-sheets structures and “off-pathway” to gel-like aggregates are independent on the pH value in the range of 1.1–1.9. ...

Thu May 2, 2024 16:13
π‐π stacking interactions mediate molecular recognition between arginine and tryptophan containing peptides derived from human islet polypeptide

The Raman spectroscopic data, supported by density functional theory-based simulation results, indicate that arginine-tryptophan interaction in NRGAILSS and NWGAILSS involves π-π stacking where the guanidino group is oriented parallel to the indole ring. These hydrophobic interactions, coupled with the hydrotropic effect of the guanidine functionality...

Mon Apr 29, 2024 16:17
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No abstract is available for this article.

Tue Apr 16, 2024 14:10
Effect of XC functionals and dispersion corrections on the DFT‐computed structural and vibrational properties of SrCl2–NaCl and ZrF4–LiF

Interpreting Raman spectra can sometimes be challenging due to the potential limitations in spectral resolution, which might result in supposition. Incorporating complementary computational Raman data, specifically density functional theory (DFT)-based methods, can help overcome this hurdle. Among various approximations available within DFT, PBE-D3...

Thu Apr 11, 2024 10:35
Quantifying the impact of sample, instrument, and data processing on biological signatures in modern and fossil tissues detected with Raman spectroscopy

We employ synthetic Raman spectra to trace and exemplify the effects of sample count, signal-to-noise ratio, spectrometer decalibration, baseline subtraction, and normalization on biologically meaningful data grouping in the Principal Component space. Our analyses support the ChemoSpace approach to biosignatures as a powerful tool for exploring, denoising,...

Thu Mar 21, 2024 14:02

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