UPS, XPS, NEXAFS and Computational Investigation of Acrylamide Monomer

Photochem Pub Date : 2022-06-22 DOI:10.3390/photochem2030032
L. Evangelisti, S. Melandri, F. Negri, M. Coreno, K. Prince, A. Maris
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引用次数: 3

Abstract

Acrylamide is a small conjugated organic compound widely used in industrial processes and agriculture, generally in the form of a polymer. It can also be formed from food and tobacco as a result of Maillard reaction from reducing sugars and asparagine during heat treatment. Due to its toxicity and possible carcinogenicity, there is a risk in its release into the environment or human intake. In order to provide molecular and energetic information, we use synchrotron radiation to record the UV and X-ray photoelectron and photoabsorption spectra of acrylamide. The data are rationalized with the support of density functional theory and ab initio calculations, providing precise assignment of the observed features.
UPS、XPS、NEXAFS及丙烯酰胺单体的计算研究
丙烯酰胺是一种小型共轭有机化合物,广泛用于工业过程和农业,通常以聚合物的形式存在。它也可以由食物和烟草形成,这是还原糖和天冬酰胺在热处理过程中发生美拉德反应的结果。由于其毒性和可能的致癌性,其释放到环境或人体摄入中存在风险。为了提供分子和能量信息,我们使用同步辐射记录丙烯酰胺的紫外和X射线光电子和光吸收光谱。在密度泛函理论和从头计算的支持下,对数据进行了合理化,提供了观测特征的精确分配。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
CiteScore
3.60
自引率
0.00%
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