Quest for the binding mode of malachite green with humic acid》.pdf

Journal of Molecular Structure 1081 (2015) 268–273 Contents lists available at ScienceDirect Journal of Molecular Structure journal homepage: www.elsevi /locate/molstruc Quest for the binding mode of malachite green with humic acid Hongmei Zhang a,b, Mingxing Yin b, Jinghua Shi b, Yanqing Wang a,b,⇑ aJiangsu Provincial Key Laboratory of Coastal Wetland Bioresources and Environmental Protection, Yancheng City, Jiangsu Province 224002, People’ s Republic of China b Institute of Applied Chemistry and Environmental Engineering, Yancheng Teachers University, Yancheng City, Jiangsu Province 224002, People’s Republic of China h i g h l i g h t s g r a p h i c a l a b s t r a c t Spectroscopic methods combination with molecular modeling were used. MG located in the hydrophobic cavity of HA. The p–p stacking and hydrophobic forces played a key role in the binding. HA binding caused coplanar conformation changes of MG. a r t i c l e i n f o a b s t r a c t Article history: The association of malachite green (MG) with humic acid (HA) was investigated by using fluorescence, Received 6 August 2014 UV–vis spectroscopy and molecular Modelling method. The fluorescence spectral results indicated that Received in revised form 29 September the binding between MG and HA occurred by mainly hydrophobic and electrostatic forces with associa- 2014 5 5 tion constants of KA (2