Recently I am researching about QSAR MODELS; APPLICABILITY DOMAIN; EXTERNAL VALIDATION; HYDROXYL RADICALS; PULSE-RADIOLYSIS; AQUEOUS-PHASE; CENTER-DOT; DEGRADATION; OXIDATION; MICROPOLLUTANTS, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21808167, 21306137, 21676203]. Published in SPRINGER HEIDELBERG in HEIDELBERG ,Authors: Shi, YJ; Yan, FY; Jia, QZ; Wang, Q. The CAS is 151-10-0. Through research, I have a further understanding and discovery of 1,3-Dimethoxybenzene. Recommanded Product: 1,3-Dimethoxybenzene
The degradation of organic contaminants in aquatic systems has raised immense attention worldwide, and the second-order rate constant (k(SO4)(-)) of water pollutants oxidized by sulfate radical anion is an important index for assessing the degradation efficiency of organics. Herein, a new norm mathematical formula is defined. Based on this, four new descriptors are proposed and a QSPR model is developed for predicting k(SO4)(-) using 30 families of emerging organic pollutants in water. The statistical results fully prove that this model has good fitting effect and stability with R-2 of 0.8862, Q(LOO)(2) of 0.8466, and Q(5-fold)(2) of 0.8329, respectively. The validation results including cross validation, applicability domain analysis, and model comparison show that this model has good robustness, predictive performance, and reliability. These decent results indicate that the new norm mathematical formula is effective in calculating descriptors and the norm indexes have a great application for evaluating the transformation fate of organic pollutants by sulfate radical in aquatic systems.
Recommanded Product: 1,3-Dimethoxybenzene. About 1,3-Dimethoxybenzene, If you have any questions, you can contact Shi, YJ; Yan, FY; Jia, QZ; Wang, Q or concate me.
Reference:
Isothiazole – Wikipedia,
,Isothiazole – ScienceDirect.com