Dataset Information

Differentiation and classification of bacterial endotoxins based on surface enhanced Raman scattering and advanced machine learning.

ABSTRACT: Bacterial endotoxin, a major component of the Gram-negative bacterial outer membrane leaflet, is a lipopolysaccharide shed from bacteria during their growth and infection and can be utilized as a biomarker for bacterial detection. Here, the surface enhanced Raman scattering (SERS) spectra of eleven bacterial endotoxins with an average detection amount of 8.75 pg per measurement have been obtained based on silver nanorod array substrates, and the characteristic SERS peaks have been identified. With appropriate spectral pre-processing procedures, different classical machine learning algorithms, including support vector machine, k-nearest neighbor, random forest, etc., and a modified deep learning algorithm, RamanNet, have been applied to differentiate and classify these endotoxins. It has been found that most conventional machine learning algorithms can attain a differentiation accuracy of >99%, while RamanNet can achieve 100% accuracy. Such an approach has the potential for precise classification of endotoxins and could be used for rapid medical diagnoses and therapeutic decisions for pathogenic infections.

SUBMITTER: Yang Y

PROVIDER: S-EPMC9575096 | biostudies-literature | 2022 Jun

REPOSITORIES: biostudies-literature

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Differentiation and classification of bacterial endotoxins based on surface enhanced Raman scattering and advanced machine learning.

Yang Yanjun Y Xu Beibei B Haverstick James J Ibtehaz Nabil N Muszyński Artur A Chen Xianyan X Chowdhury Muhammad E H MEH Zughaier Susu M SM Zhao Yiping Y

Nanoscale 20220623 24

Bacterial endotoxin, a major component of the Gram-negative bacterial outer membrane leaflet, is a lipopolysaccharide shed from bacteria during their growth and infection and can be utilized as a biomarker for bacterial detection. Here, the surface enhanced Raman scattering (SERS) spectra of eleven bacterial endotoxins with an average detection amount of 8.75 pg per measurement have been obtained based on silver nanorod array substrates, and the characteristic SERS peaks have been identified. Wi ...[more]

PMID: 35686584

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Project description:To classify raw SERS Raman spectra from biological materials, we propose DeepRaman, a new architecture inspired by the Progressive Fourier Transform and integrated with the scalogram transformation approach. Unlike standard machine learning approaches such as PCA, LDA, SVM, RF, GBM etc, DeepRaman functions independently, requiring no human interaction, and can be used to much smaller datasets than traditional CNNs. Performance of DeepRaman on 14 endotoxins bacteria and on a public data achieved an extraordinary accuracy of 99 percent. This provides exact endotoxin classification and has tremendous potential for accelerated medical diagnostics and treatment decision-making in cases of pathogenic infections.BackgroundBacterial endotoxin, a lipopolysaccharide exuded by bacteria during their growth and infection process, serves as a valuable biomarker for bacterial identification. It is a vital component of the outer membrane layer in Gram-negative bacteria. By employing silver nanorod-based array substrates, surface-enhanced Raman scattering (SERS) spectra were obtained for two separate datasets: Eleven endotoxins produced by bacteria, each having an 8.75 pg average detection quantity per measurement, and three controls chitin, lipoteichoic acid (LTA), bacterial peptidoglycan (PGN), because their structures differ greatly from those of LPS.ObjectiveThis study utilized various classical machine learning techniques, such as support vector machines, k-nearest neighbors, and random forests, in conjunction with a modified deep learning approach called DeepRaman. These algorithms were employed to distinguish and categorize bacterial endotoxins, following appropriate spectral pre-processing, which involved novel filtering techniques and advanced feature extraction methods.ResultMost traditional machine learning algorithms achieved distinction accuracies of over 99 percent, whereas DeepRaman demonstrated an exceptional accuracy of 100 percent. This method offers precise endotoxin classification and holds significant potential for expedited medical diagnoses and therapeutic decision-making in cases of pathogenic infections.ConclusionWe present the effectiveness of DeepRaman, an innovative architecture inspired by the Progressive Fourier Transform and integrated with the scalogram transformation method, in classifying raw SERS Raman spectral data from biological specimens with unparalleled accuracy relative to conventional machine learning algorithms. Notably, this Convolutional Neural Network (CNN) operates autonomously, requiring no human intervention, and can be applied with substantially smaller datasets than traditional CNNs. Furthermore, it exhibits remarkable proficiency in managing challenging baseline scenarios that often lead to failures in other techniques, thereby promoting the broader clinical adoption of Raman spectroscopy.

Dataset Information

Differentiation and classification of bacterial endotoxins based on surface enhanced Raman scattering and advanced machine learning.

Publications

Differentiation and classification of bacterial endotoxins based on surface enhanced Raman scattering and advanced machine learning.

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