Modeling the relative fluorescence intensity ratio of Eu(III) complex in different solvents based on QSPR method.
The quantitative structure-property relationship approach was performed to study the relative fluorescence intensity ratio (R) of Eu(DBM)(3)Phen (DBM-dibenzoylmethane, Phen-1,10-phenanthroline) in 34 different solvents. The multilinear regression analysis and artificial neural networks were employed to develop linear and nonlinear models, respectively. The proposed linear model contains six descriptors, with the squared correlation coefficient r(2) = 0.955 and the standard error of estimation s = 1.02. Better predictive results were obtained from the nonlinear model, with r(2) = 0.987 and s = 0.51. The descriptors involved in the models were discussed in detail too.
Xu
Jie
J
Key Laboratory of Green Processing and Functional Textiles of New Textile Materials, Ministry of Education, Wuhan University of Science and Engineering, Wuhan, 430073, China. xujie0@ustc.edu
Xiong
Qi
Q
Chen
Biao
B
Wang
Luoxin
L
Liu
Li
L
Xu
Weilin
W
D005063:Europium / Q000737:chemistry*; D005453:Fluorescence; D016571:Neural Networks, Computer; D009942:Organometallic Compounds / Q000737:chemistry*; D010618:Phenanthrolines; D021281:Quantitative Structure-Activity Relationship; D012997:Solvents / Q000737:chemistry
D009942:Organometallic Compounds; D010618:Phenanthrolines; D012997:Solvents; D005063:Europium; C025205:1,10-phenanthroline