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Atlas of Metabolite SERS Fingerprints obtained by means of q-Gaussian deconvolutions and Fityk Software

16 December 2024, Version 2
Working Paper
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

This atlas is proposing the fingerprints of the SERS (Surface-Enhanced Raman Spectroscopy) spectra of metabolites, published by Sherman et al. in Talanta, 2020, in an article entitled “A surface-enhanced Raman spectroscopy database of 63 metabolites”. The atlas of fingerprints is based on q-Gaussian deconvolutions and Fityk software.

Keywords

SERS
Metabolites
q-Gaussian functions
Spectral deconvolution
Surface-Enhanced Raman Spectroscopy

Supplementary materials

Title
Description
Actions
Title
Fityk .fit and .peaks files
Description
The zipped folder contains two folders where the reader can find the Fityk .fit and the .peaks files, of the 63 metabolites reviewed in the article.
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Version History

Dec 16, 2024 Version 2

Version Notes

We have added some references. Moreover, in the case that data from literature are available, comparison of them with the centers of the q-Gaussian components are proposed.

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The content is available under CC BY 4.0 [opens in a new tab]

DOI

10.26434/chemrxiv-2024-85l19-v2
D O I: 10.26434/chemrxiv-2024-85l19-v2 [opens in a new tab]

Author’s competing interest statement

The author(s) have declared they have no conflict of interest with regard to this content

Ethics

The author(s) have declared ethics committee/IRB approval is not relevant to this content

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