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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...

No abstract is available for this article.

The primary objective is to explore the potential of utilizing a portable Raman spectrometer for real-time applications in the pharmaceutical industry. Afterward, the reproducibility of the resulting data during the final processing stage is examined, even in the presence of various sources of errors. Finally, the objective is to inspect whether the...