Semi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced Raman Scattering

Abstract Surface-enhanced Raman scattering (SERS) technology combines with chemometric method of principal component analysis (PCA) was used to calculate the composition of chemical mixtures in solution. We reported here that there exists composition discrepancy between molecules in solution and mol...

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Autores principales:	Sumeng Zou, Mengjing Hou, Jianghao Li, Lingwei Ma, Zhengjun Zhang
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/d551b8da88eb45e2ab6f9666b9a691a1
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spelling	oai:doaj.org-article:d551b8da88eb45e2ab6f9666b9a691a12021-12-02T11:40:44ZSemi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced Raman Scattering10.1038/s41598-017-06543-y2045-2322https://doaj.org/article/d551b8da88eb45e2ab6f9666b9a691a12017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-06543-yhttps://doaj.org/toc/2045-2322Abstract Surface-enhanced Raman scattering (SERS) technology combines with chemometric method of principal component analysis (PCA) was used to calculate the composition of chemical mixtures in solution. We reported here that there exists composition discrepancy between molecules in solution and molecules adsorbed on Ag@Al2O3 nanorods substrates due to difference in adsorption kinetics of each component. We proposed here a way to calculate the adsorption kinetics factor for each component using a standard sample as the reference, with which one could correct the predictions given by PCA. We demonstrate the validity of this approach in estimating the compositions of mixtures with two, three and four components of 1, 4-Benzenedithiol, 2-Naphthalenethiol, 4-Mercaptobenzoic acid, and 4-Mercaptopyridine molecules, with acceptable errors. Furthermore, a general formula applied to more complex mixtures was proposed to calculate compositions in solution.Sumeng ZouMengjing HouJianghao LiLingwei MaZhengjun ZhangNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-9 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Sumeng Zou Mengjing Hou Jianghao Li Lingwei Ma Zhengjun Zhang Semi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced Raman Scattering
description	Abstract Surface-enhanced Raman scattering (SERS) technology combines with chemometric method of principal component analysis (PCA) was used to calculate the composition of chemical mixtures in solution. We reported here that there exists composition discrepancy between molecules in solution and molecules adsorbed on Ag@Al2O3 nanorods substrates due to difference in adsorption kinetics of each component. We proposed here a way to calculate the adsorption kinetics factor for each component using a standard sample as the reference, with which one could correct the predictions given by PCA. We demonstrate the validity of this approach in estimating the compositions of mixtures with two, three and four components of 1, 4-Benzenedithiol, 2-Naphthalenethiol, 4-Mercaptobenzoic acid, and 4-Mercaptopyridine molecules, with acceptable errors. Furthermore, a general formula applied to more complex mixtures was proposed to calculate compositions in solution.
format	article
author	Sumeng Zou Mengjing Hou Jianghao Li Lingwei Ma Zhengjun Zhang
author_facet	Sumeng Zou Mengjing Hou Jianghao Li Lingwei Ma Zhengjun Zhang
author_sort	Sumeng Zou
title	Semi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced Raman Scattering
title_short	Semi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced Raman Scattering
title_full	Semi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced Raman Scattering
title_fullStr	Semi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced Raman Scattering
title_full_unstemmed	Semi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced Raman Scattering
title_sort	semi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced raman scattering
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/d551b8da88eb45e2ab6f9666b9a691a1
work_keys_str_mv	AT sumengzou semiquantitativeanalysisofmultiplechemicalmixturesinsolutionattracelevelbysurfaceenhancedramanscattering AT mengjinghou semiquantitativeanalysisofmultiplechemicalmixturesinsolutionattracelevelbysurfaceenhancedramanscattering AT jianghaoli semiquantitativeanalysisofmultiplechemicalmixturesinsolutionattracelevelbysurfaceenhancedramanscattering AT lingweima semiquantitativeanalysisofmultiplechemicalmixturesinsolutionattracelevelbysurfaceenhancedramanscattering AT zhengjunzhang semiquantitativeanalysisofmultiplechemicalmixturesinsolutionattracelevelbysurfaceenhancedramanscattering
_version_	1718395610470547456

Semi-quantitative analysis of multiple chemical mixtures in solution at trace level by surface-enhanced Raman Scattering

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