Investigation Of The Toxicicy And Degardation Of Tetrabromobisphenol A Using Experimental Methods

Tetrabromobisphenol A as a widely used bromide flame retardants, the characteristics of biologicalenrichment and fat impact of organisms and human health. The interactions of tetrabromobisphenol A(TBBPA) with the DNA nitrogen bases guanine, adenine, thymine, cytosine were investigated,using ultraviolet–visiblespectroscopy, cyclic voltammetry, anodic differential pulse voltammetry, anddensity functional theory simulation. Global chemical reactivity descriptors including chemicalpotential, electronegativity, and electrophilicity indices were adopted to evaluate the chemical reactivityof TBBPA and DNA nitrogen bases. The condensed Fukui function was calculated to reveal reactivesites. The interaction energies between TBBPA and the nitrogen bases were also calculated. It revealsthe toxic mechanism of TBBPA on the molecular level. In addition, the study of the electrochemicaloxidation degradation This study will be for bromine flame retardants toxicity evaluation anddegradation process provides a good reference. The conclusion of this study are listed as follows:(1) The results of DFT simulations are in accordance with the experimental data, showing that DFTmolecular simulation is suitable for evaluating the interactions between BFRs and biomolecules.(2) TBBPA interacts as an electrophile with guanine, adenine, cytosine; however, with thymine, itserves as a nucleophile. The Br8or Br19atom of TBBPA is assigned to the reactive site for bothelectrophilic and nucleophilic interactions with the DNA nitrogen bases.(3) The toxicity of TBBP A to the nitrogen bases follows the order of guanine> adenine> thymine>cytosine, which is confirmed by UV–Vis spectroscopy, electrochemical measurements, and DFTcalculations(4) Electrochemical degradation of tetrabromobisphenol A experiment: the use of graphite/PTFE gasdiffusion electrode in a three-electrode system, to produce hydrogen peroxide degradationtetrabromobisphenol A. The results show that electrochemical oxidation process could degradetetrabromobisphenol A effectively. The results show that the density of the electrolytic was3mA/cm2, pH was5, electrolyte concentration was0.01mol/L, temperature was35℃,thedegradation rate was94.01%, the degradation rate was best.