New research article online!

Our first contribution within the cooperation project with the Goias State University is now available online! In this manuscript, intitled "Aqueous Picloram Degradation by Hydroxyl Radicals: Unveiling Mechanism, Kinetics, and Ecotoxicity through Experimental and Theoretical Approaches," we explored the use of quantum-scale molecular modelling to predict reaction rates of the photochemically induced transformation of Picloram (a herbicide) in natural waters. It is part of an effort to develop sustainable techniques to help elucidate reaction mechanisms and predict the toxicity of contaminants of emerging concern (CECs). This manuscript is the result of the excellent theoretical work of Mr. Sanches-Neto, under the supervision of Dr. Carvalho-Silva; and the experimental investigation carried out at the AdOx Research Group by myself and Dr. Lastre-Acosta, under the supervision of Dr. Teixeira. The manuscript is available from Chemosphere, in the address below: https://www.sciencedirect.com/science/article/abs/pii/S0045653521008717