期刊
SAR AND QSAR IN ENVIRONMENTAL RESEARCH
卷 28, 期 7, 页码 609-620出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/1062936X.2017.1358212
关键词
QSPR; molecular connectivity; pharmaceuticals; pesticides; photo-induced fluorescence; flow analysis
类别
资金
- Biomedical Science Institute (ICB) of the CEU - Cardenal Herrera University [BC/ICB-Santander 05/12]
- ICB [BC/ICB-Santander 06/12]
Fluorimetric analysis is still a growing line of research in the determination of a wide range of organic compounds, including pharmaceuticals and pesticides, which makes necessary the development of new strategies aimed at improving the performance of fluorescence determinations as well as the sensitivity and, especially, the selectivity of the newly developed analytical methods. In this paper are presented applications of a useful and growing tool suitable for fostering and improving research in the analytical field. Experimental screening, molecular connectivity and discriminant analysis are applied to organic compounds to predict their fluorescent behaviour after their photodegradation by UV irradiation in a continuous flow manifold (multicommutation flow assembly). The screening was based on online fluorimetric measurement and comprised pre-selected compounds with different molecular structures (pharmaceuticals and some pesticides with known native' fluorescent behaviour) to study their changes in fluorescent behaviour after UV irradiation. Theoretical predictions agree with the results from the experimental screening and could be used to develop selective analytical methods, as well as helping to reduce the need for expensive, time-consuming and trial-and-error screening procedures.
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