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Photocatalytic degradation of 4-amino-6-chlorobenzene-1,3-disulfonamide stable hydrolysis product of hydrochlorothiazide: Detection of intermediates and their toxicity
Environmental Pollution ( IF 8.9 ) Pub Date : 2017-11-07 , DOI: 10.1016/j.envpol.2017.08.090
Sanja J. Armaković , Stevan Armaković , Dragana D. Četojević-Simin , Filip Šibul , Biljana F. Abramović

In this work we have investigated in details the process of degradation of the 4-amino-6-chlorobenzene-1,3-disulfonamide (ABSA), stable hydrolysis product of frequently used pharmaceutical hydrochlorothiazide (HCTZ), as one of the most ubiquitous contaminants in the sewage water. The study encompassed investigation of degradation by hydrolysis, photolysis, and photocatalysis employing commercially available TiO2 Degussa P25 catalyst. The process of direct photolysis and photocatalytic degradation were investigated under different type of lights. Detailed insights into the reactive properties of HCTZ and ABSA have been obtained by density functional theory calculations and molecular dynamics simulations. Specifically, preference of HCTZ towards hydrolysis was confirmed experimentally and explained using computational study. Results obtained in this study indicate very limited efficiency of hydrolytic and photolytic degradation in the case of ABSA, while photocatalytic degradation demonstrated great potential. Namely, after 240 min of photocatalytic degradation, 65% of ABSA was mineralizated in water/TiO2 suspension under SSI, while the nitrogen was predominantly present as NH4+. Reaction intermediates were studied and a number of them were detected using LC-ESI-MS/MS. This study also involves toxicity assessment of HCTZ, ABSA, and their mixtures formed during the degradation processes towards mammalian cell lines (rat hepatoma, H-4-II-E, human colon adenocarcinoma, HT-29, and human fetal lung, MRC-5). Toxicity assessments showed that intermediates formed during the process of photocatalysis exerted only mild cell growth effects in selected cell lines, while direct photolysis did not affect cell growth.



中文翻译:

氢氯噻嗪的4-氨基-6-氯苯-1,3-二磺酰胺稳定水解产物的光催化降解:中间体及其毒性的检测

在这项工作中,我们详细研究了4-氨基-6-氯苯-1,3-二磺酰胺(ABSA)的降解过程,该物质是常用的氢氯噻嗪(HCTZ)的稳定水解产物,是最普遍存在的污染物之一。在污水中。该研究包括使用市售TiO 2进行的水解,光解和光催化降解的研究。Degussa P25催化剂。在不同类型的光下研究了直接光解和光催化降解的过程。通过密度泛函理论计算和分子动力学模拟已经获得了对HCTZ和ABSA反应性的详细了解。具体而言,实验证实了HCTZ对水解的偏爱,并使用计算研究进行了解释。这项研究获得的结果表明,在ABSA的情况下,水解和光解降解的效率非常有限,而光催化降解则显示出巨大的潜力。即,在240分钟的光催化降解后,在SSI下水/ TiO 2悬浮液中有65%的ABSA矿化,而氮主要以NH4+。研究了反应中间体,并使用LC-ESI-MS / MS检测了其中的许多中间体。这项研究还涉及对HCTZ,ABSA及其混合物在降解过程中对哺乳动物细胞系(大鼠肝癌,H-4-II-E,人结肠腺癌,HT-29和人胎肺,MRC- 5)。毒性评估表明,在光催化过程中形成的中间体仅在选定的细胞系中发挥温和的细胞生长作用,而直接光解则不影响细胞生长。

更新日期:2017-11-07
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