کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
5751089 1619704 2017 24 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Photolytic and photocatalytic degradation of tandospirone: Determination of kinetics, identification of transformation products and in silico estimation of toxicity
ترجمه فارسی عنوان
تخریب فوتوکاتیک و فوتوکاتالیستی تاندوس اسپین: تعیین سینتیک، شناسایی محصولات تبدیل و در برآورد سمیت از سمیت
موضوعات مرتبط
علوم زیستی و بیوفناوری علوم محیط زیست شیمی زیست محیطی
چکیده انگلیسی


- Direct photolysis and photocatalysis with the use of TiO2 and H2O2 of tandospirone were studied
- Kinetics parameters of reactions were compared
- Eighteen photoproducts were detected, and their structures were elucidated
- Toxicity of phototransformation products was assessed with the use of computational methods, and compared by PCA

The photolytic and photocatalytic transformation of tandospirone with the use of TiO2 and H2O2 was investigated. A micro-scale method for simultaneous irradiation with simulated full solar spectrum of multiple samples in photostability chamber was proposed. RP-UHPLC-DAD coupled with ESI-Q-TOF mass spectrometer was used for the quantitative and qualitative analysis of the processes. The developed method was fully validated and the kinetic parameters of tandospirone photodegradation were compared. The structures of eighteen photoproducts as well as phototransformation pathways were proposed. Based on the elucidated structures, computational toxicity assessment with the use of various software was performed and most of the photoproducts were found as less or similarly toxic to the parent compound. Nevertheless, several products, including one of the drug main metabolites, were significantly more toxic than the parent drug. The multivariate chemometric method (principal component analysis) was used to compare the toxicity of phototransformation products as well as the toxicity of the assessment methods.

77

ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Science of The Total Environment - Volumes 590–591, 15 July 2017, Pages 775-798
نویسندگان
, ,