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. ...

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...

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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...

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,...

Systemic amyloidosis is a group of diseases in which misfolded proteins aggregate as fibrous amyloid proteins with a β-sheet structure and deposit in organs, resulting in organ failure. We verified to detect amyloid deposition in the biopsy samples of heart, kidney, rectum, duodenum, and skin using Raman microspectroscopy. A colour map of the peak...