Multispectroscopic and molecular modeling approach to investigate the interaction of diclofop-methyl enantiomers with human serum albumin

Enantiomerization and enantioselective bioaccumulation of diclofop‐methyl in tubifex worms

“…To the best of our knowledge, the studies have explored the enantioselective toxicity of DA in some plants and algas, 18,19 and the toxicity to nontarget animal in enantiomer level has yet considered. Zhang et al have studied the enantioselective interactions between DA and human serum albumin which plays a vital role in various endogenous and exogenous ligands for transportation and disposition, whereas human serum albumin has higher affinity on S ‐DA 39 . It was speculated that S ‐DA may be more likely to be transported and excreted resulting in the enantioselective accumulation of R ‐DA in tubifex tissue.…”

Comparative study of the binding of 3 flavonoids to the fat mass and obesity‐associated protein by spectroscopy and molecular modeling

“…The thermodynamic parameters, free energy change (ΔG), enthalpy change (ΔH), and entropy change (ΔS) of the binding reaction can provide evidence for conforming the binding mode. If ΔH does not change significantly over the temperature range studied, it can be regarded as a constant, and then the values of ΔH, ΔS, and ΔG can be calculated by the van't Hoff equation and thermodynamic equation: where K a is the binding constant at specific temperature T and R is the universal gas constant. The calculated values of ΔH, ΔS, and ΔG were summarized in Table .…”

“…The thermodynamic parameters, free energy change (ΔG), enthalpy change (ΔH), and entropy change (ΔS) of the binding reaction can provide evidence for conforming the binding mode. If ΔH does not change significantly over the temperature range studied, it can be regarded as a constant, and then the values of ΔH, ΔS, and ΔG can be calculated by the van't Hoff equation and thermodynamic equation 36 :…”