Author:Anand, K; Kaviyarasu, K; Muniyasamy, Sudhakar; Roopan, SM; Gengan, RM; Chuturgoon, AADate:Jul 2017The sustainable synthesis of nanoparticles provides an eco-friendly and interesting approach in the domain of clean synthesis and nanobiotechnology. The in vitro synthesis of silver nanoparticles from the aqueous extract of an indigenous South ...Read more
Author:Wahab, OO; Olasunkanmi, LO; Govender, Krishna; Govender, PPDate:Dec 2018Previous experimental studies had proposed two possible mechanisms, that is, N-N or C-N bond cleavage, for azo dye degradation. However, the relative feasibility of these mechanisms based on their energetics has not been properly explored. ...Read more
Author:Wahab, OO; Olasunkanmi, LO; Govender, Krishna; Govender, PPDate:Jan 2018Aqueous solubility and reactivity of four azo dyes were investigated by DMol3/COSMO-RS calculation to examine the effects of global orbital cut-off and COSMO segment variation on the accuracies of theoretical solubility and reactivity. The ...Read more
Author:Wahab, OO; Olasunkanmi, LO; Govender, Krishna; Govender, PPDate:Jun 2019Effects of substituent groups on aqueous solubility, chemical reactivity and absorption wavelength of Disperse red 73 (DR73) were theoretically investigated using density functional theory (DFT) method. This study is in view of introducing ...Read more