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Role of 2‒(13)C Isotopic Glyphosate Adsorption on Silver Nanoparticles Based on Ninhydrin Reaction: A Study Based on Surface—Enhanced Raman Spectroscopy

Glyphosate is one of the most commonly used and non-selective herbicides in agriculture, which may directly pollute the environment and threaten human health. A simple and effective approach to its detection is thus quite necessary. Surface-enhanced Raman scattering (SERS) spectroscopy was shown to...

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Autores principales: Xu, Meng-Lei, Gao, Yu, Jin, Jing, Xiong, Jin-Feng, Han, Xiao Xia, Zhao, Bing
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7766329/
https://www.ncbi.nlm.nih.gov/pubmed/33348667
http://dx.doi.org/10.3390/nano10122539
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author Xu, Meng-Lei
Gao, Yu
Jin, Jing
Xiong, Jin-Feng
Han, Xiao Xia
Zhao, Bing
author_facet Xu, Meng-Lei
Gao, Yu
Jin, Jing
Xiong, Jin-Feng
Han, Xiao Xia
Zhao, Bing
author_sort Xu, Meng-Lei
collection PubMed
description Glyphosate is one of the most commonly used and non-selective herbicides in agriculture, which may directly pollute the environment and threaten human health. A simple and effective approach to its detection is thus quite necessary. Surface-enhanced Raman scattering (SERS) spectroscopy was shown to be a very effective method to approach the problem. However, sensitivity in SERS experiments is quite low, caused by different orientation/conformation of the adsorbed molecules on the metal surface, which limit its detection by using SERS. In this paper, 2‒(13)C‒glyphosate (hereafter: 13–GLP) was designed as a model molecule for theoretical and experimental studies of the molecule structure. Vibrational modes were assigned based on the modeling results obtained at the B3LYP/6-311++G** level by density functional theory (DFT) calculations, which were performed to predict the FT‒IR and Raman spectra. Band downshifts were caused by (13)C atom isotopic substitution with mass changed. Moreover, SERS spectra of 13–GLP by combining ninhydrin reaction on Ag NPs were obtained. Isotopic Raman shifts are helpful in identifying the components of each Raman band through vibrations across the molecular system. They are coupled by probe molecules and thus bind to the substrates, indirectly offering the opportunity to promote interactions with Ag NPs and reduce the complex equilibrium between different orientation/conformation of glyphosate molecules on the metal surface.
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spelling pubmed-77663292020-12-28 Role of 2‒(13)C Isotopic Glyphosate Adsorption on Silver Nanoparticles Based on Ninhydrin Reaction: A Study Based on Surface—Enhanced Raman Spectroscopy Xu, Meng-Lei Gao, Yu Jin, Jing Xiong, Jin-Feng Han, Xiao Xia Zhao, Bing Nanomaterials (Basel) Article Glyphosate is one of the most commonly used and non-selective herbicides in agriculture, which may directly pollute the environment and threaten human health. A simple and effective approach to its detection is thus quite necessary. Surface-enhanced Raman scattering (SERS) spectroscopy was shown to be a very effective method to approach the problem. However, sensitivity in SERS experiments is quite low, caused by different orientation/conformation of the adsorbed molecules on the metal surface, which limit its detection by using SERS. In this paper, 2‒(13)C‒glyphosate (hereafter: 13–GLP) was designed as a model molecule for theoretical and experimental studies of the molecule structure. Vibrational modes were assigned based on the modeling results obtained at the B3LYP/6-311++G** level by density functional theory (DFT) calculations, which were performed to predict the FT‒IR and Raman spectra. Band downshifts were caused by (13)C atom isotopic substitution with mass changed. Moreover, SERS spectra of 13–GLP by combining ninhydrin reaction on Ag NPs were obtained. Isotopic Raman shifts are helpful in identifying the components of each Raman band through vibrations across the molecular system. They are coupled by probe molecules and thus bind to the substrates, indirectly offering the opportunity to promote interactions with Ag NPs and reduce the complex equilibrium between different orientation/conformation of glyphosate molecules on the metal surface. MDPI 2020-12-17 /pmc/articles/PMC7766329/ /pubmed/33348667 http://dx.doi.org/10.3390/nano10122539 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Xu, Meng-Lei
Gao, Yu
Jin, Jing
Xiong, Jin-Feng
Han, Xiao Xia
Zhao, Bing
Role of 2‒(13)C Isotopic Glyphosate Adsorption on Silver Nanoparticles Based on Ninhydrin Reaction: A Study Based on Surface—Enhanced Raman Spectroscopy
title Role of 2‒(13)C Isotopic Glyphosate Adsorption on Silver Nanoparticles Based on Ninhydrin Reaction: A Study Based on Surface—Enhanced Raman Spectroscopy
title_full Role of 2‒(13)C Isotopic Glyphosate Adsorption on Silver Nanoparticles Based on Ninhydrin Reaction: A Study Based on Surface—Enhanced Raman Spectroscopy
title_fullStr Role of 2‒(13)C Isotopic Glyphosate Adsorption on Silver Nanoparticles Based on Ninhydrin Reaction: A Study Based on Surface—Enhanced Raman Spectroscopy
title_full_unstemmed Role of 2‒(13)C Isotopic Glyphosate Adsorption on Silver Nanoparticles Based on Ninhydrin Reaction: A Study Based on Surface—Enhanced Raman Spectroscopy
title_short Role of 2‒(13)C Isotopic Glyphosate Adsorption on Silver Nanoparticles Based on Ninhydrin Reaction: A Study Based on Surface—Enhanced Raman Spectroscopy
title_sort role of 2‒(13)c isotopic glyphosate adsorption on silver nanoparticles based on ninhydrin reaction: a study based on surface—enhanced raman spectroscopy
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7766329/
https://www.ncbi.nlm.nih.gov/pubmed/33348667
http://dx.doi.org/10.3390/nano10122539
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