Toxins’ classification through Raman spectroscopy with principal component analysis

Mozhaeva, Vera A.; Kudryavtsev, Denis S.; Prokhorov, K. A.; Utkin, Yuri N.; Gudkov, Sergey V.; Garnov, S. V.; Kasheverov, Igor E.; Tsetlin, Victor I.

doi:10.1016/j.saa.2022.121276

Cited by 9 publications

(8 citation statements)

References 39 publications

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“…Each sample was measured at a minimum of 3 points to ensure spectral reproducibility. The obtained spectra were processed by applying the following: (1) concave rubber band correction, (2) Min-Max normalization and (3) smoothing (number of smoothing points = 17) in the OPUS 8.2.28 program (Bruker Optik GmbH, Karlsruhe, Germany) [ 49 ].…”

Section: Methodsmentioning

confidence: 99%

Effect of Laser-Induced Optical Breakdown on the Structure of Bsa Molecules in Aqueous Solutions: An Optical Study

et al. 2022

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The influence of laser radiation of a typical surgical laser on the physicochemical properties of the Bovine Serum Albumin (BSA) protein was studied. It was established that the physicochemical characteristics of optical breakdown weakly depend on the concentration of protein molecules. At the same time, the patterns observed for an aqueous solution of BSA irradiated with a laser for different time periods were extremely similar to the classical ones. It was established that after exposure to laser radiation, the optical density of protein solutions increases. At the same time, the intensity of BSA fluorescence due to aromatic amino acid residues decreases insignificantly after exposure to laser radiation. In this case, the position of the excitation and emission maximum does not change, and the shape of the fluorescence spot on 3D maps also does not change significantly. On the Raman spectrum after exposure to laser radiation, a significant decrease in 1570 cm−1 was observed, which indicates the degradation of α-helices and, as a result, partial denaturation of BSA molecules. Partial denaturation did not significantly change the total area of protein molecules, since the refractive index of solutions did not change significantly. However, in BSA solutions, after exposure to laser radiation, the viscosity increased, and the pseudoplasticity of aqueous solutions decreased. In this case, there was no massive damage to the polypeptide chain; on the contrary, when exposed to optical breakdown, intense aggregation was observed, while aggregates with a size of 400 nm or more appeared in the solution. Thus, under the action of optical breakdown induced by laser radiation in a BSA solution, the processes of partial denaturation and aggregation prevail, aromatic amino acid residues are damaged to a lesser extent, and fragmentation of protein molecules is not observed.

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Section: Methodsmentioning

confidence: 99%

Effect of Laser-Induced Optical Breakdown on the Structure of Bsa Molecules in Aqueous Solutions: An Optical Study

et al. 2022

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“…Previously, using Raman spectroscopy and PCA we had classified protein toxins including those from snake venoms in accordance with their structural features; moreover, using this approach it was possible to distinguish the disulfide isomers of the peptide toxin. 12 In the present work, we have carried out Raman spectroscopic studies on a number of dry venoms from various venomous snakes supplemented with data analysis by PCA. The resulting PCA score plot (Fig.…”

Section: Discussionmentioning

confidence: 99%

“…The reduction in the dimension of spectral data and their presentation in a visual form using principal component analysis (PCA) 11 and clustering methods allow quick classification of samples of protein nature. 12 In this work, we used Raman spectroscopy to classify the venoms of several species of snakes from the families Elapidae and Viperidae, based on the spectra recorded from micrograms of dry venoms.…”

Section: Introductionmentioning

confidence: 99%

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Differentiation of snake venom using Raman spectroscopic analysis

et al. 2023

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“…In order to further improve the calculation efficiency, the dimensions of the Raman spectral data were reduced by principal component analysis. 23 Each sample in the original Raman spectrum contains 1751 data points. After the dimension reduction by principal component analysis, just 74 extracted principal components can represent 100% of the information in the original data.…”

Section: Njc Papermentioning

confidence: 99%

Optimized identification of cheese products based on Raman spectroscopy and an extreme learning machine

2023

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Toxins’ classification through Raman spectroscopy with principal component analysis

Cited by 9 publications

References 39 publications

Effect of Laser-Induced Optical Breakdown on the Structure of Bsa Molecules in Aqueous Solutions: An Optical Study

Effect of Laser-Induced Optical Breakdown on the Structure of Bsa Molecules in Aqueous Solutions: An Optical Study

Differentiation of snake venom using Raman spectroscopic analysis

Optimized identification of cheese products based on Raman spectroscopy and an extreme learning machine

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