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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Fluoxetine and Norfluoxetine Revisited: New Insights into the Electrochemical andSpectroscopic Properties
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Fluoxetine and Norfluoxetine Revisited: New Insights into the Electrochemical andSpectroscopic Properties

机译：氟西汀和去氟西汀重新：电化学和光谱性质的新见解。

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摘要

The extent to which humans and wildlife are exposed to the vast array of anthropogenic chemicals and theirdegradation products, along with related naturally occurring compounds, is nowadays an important issue.The study of the physical-chemical properties of the compounds and/or degradation products is an importantsubject because some of them are intrinsically related to its resistance to degradation and/or bioaccumulation.Accordingly, the study of the electrochemical behavior of the selective serotonin reuptake inhibitor fluoxetineand its main metabolite norfluoxetine was investigated. The identification of the oxidation processes wasdone via two fluoxetine analogues, 1-(benzyloxy)-4-(trifluoromethyl)benzene and N-methyl-3-phenylpropan-1-amine hydrochloride. The oxidative processes occurring in fluoxetine are pH-dependent and were ascribedto the chemical moieties present in the molecule: the secondary amine group and the substituted aromaticnucleus. To perform an unequivocal ascription, the structural preferences of the drug and metabolite werealso determined, by Raman spectroscopy coupled to quantum mechanical calculations (at the DFT level).The analytical data obtained in this work will allow the development of a rapid and unequivocal spectroscopicprocedure suitable for fluoxetine identification, as well as to distinguish between the drug and its mainmetabolite.
机译：如今，人类和野生动植物与各种人为化学物质及其降解产物以及相关的天然存在的化合物接触的程度是一个重要的问题。对化合物和/或降解产物的物理化学性质的研究是因此，对选择性5-羟色胺再摄取抑制剂氟西汀及其主要代谢物去氟西汀的电化学行为进行了研究。通过两种氟西汀类似物1-（苄氧基）-4-（三氟甲基）苯和N-甲基-3-苯基丙-1-胺盐酸盐进行了氧化过程的鉴定。氟西汀中发生的氧化过程是pH依赖性的，并归因于分子中存在的化学部分：仲胺基和取代的芳族核。为了进行明确的归属，还通过拉曼光谱结合量子力学计算（在DFT级别）确定了药物和代谢物的结构偏好。这项工作中获得的分析数据将有助于开发适用于快速，明确的光谱方法用于氟西汀的鉴定，以及区分药物及其主要代谢物。

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