UV-visible photodegradation of naproxen in water - Structural elucidation of photoproducts and potential toxicity

被引：13

作者：

Cazzaniga, Noemi ^{[1
]}

Varga, Zsuzsanna ^{[1
]}

Nicol, Edith ^{[1
]}

Bouchonnet, Stephane ^{[1
]}

机构：

[1] Inst Polytech Paris, Lab Chim Mol, CNRS, Ecole Polytech, F-91128 Palaiseau, France

来源：

EUROPEAN JOURNAL OF MASS SPECTROMETRY | 2020年 / 26卷 / 06期

基金：

欧盟地平线“2020”;

关键词：

Naproxen; photodegradation; structural elucidation; toxicity; mass spectrometry; WASTE-WATER; CONTAMINANTS; REMOVAL; DRUGS;

D O I：

10.1177/1469066720973412

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The UV-visible photodegradation of Naproxen (6-methoxy-alpha-methyl-2-naphthaleneacetic acid, CAS: 22204-53-1), one of the most used and detected non-steroidal anti-inflammatory drugs (NSAIDs) in the world, and its ecotoxicological consequences were investigated in an aqueous medium. The photo-transformation products were analyzed and the structures of photoproducts were elucidated using gas chromatography coupled with tandem mass spectrometry (GC-MS/MS) and high-performance liquid chromatography coupled with ultrahigh-resolution Fourier transform ion cyclotron resonance mass spectrometry (LC-FTICR-MS). Seven photoproducts were detected and characterized, photo-transformation mechanisms have been postulated to rationalize their formation under irradiation. In silico Q.S.A.R. (Quantitative Structure-Activity Relationship) toxicity predictions were performed with the Toxicity Estimation Software Tool (T.E.S.T.) and in vitro assays were carried out on Vibrio fischeri bacteria. Some of the obtained photoproducts exhibit higher potential toxicity than Naproxen itself but the whole toxicity of the irradiated solution is not of major concern.

引用

页码：400 / 408

页数：9

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