Dataset on the degradation of losartan by TiO 2-photocatalysis and UVC/persulfate processes

Data Brief. 2020 May 14;31:105692. doi: 10.1016/j.dib.2020.105692. eCollection 2020 Aug.

Abstract

Losartan is a highly consumed antihypertensive worldwide and commonly found in effluents of municipal wastewater treatment plants. In the environment, losartan can promote harmful effects on organisms. Thus, an option to face this pollutant is the treatment by photochemical advanced oxidation processes. This dataset has two main components: 1) theoretical calculations on reactivity indexes for losartan, and 2) degradation of the pollutant throughout TiO2-photocatalysis and UVC/persulfate (UVC/PS). The first part of the work presents the data about HOMO and LUMO energies, optimized geometry, dipolar moment, HOMO/LUMO energy gap and total density distribution, in addition to ionization energy, electron affinity, chemical potential, hardness, softness and electrophilicity for losartan. Meanwhile, the second one depicts information on the routes involved in the degradation of the pharmaceutical by the oxidation processes, mineralization, toxicity evolution and losartan removal from a complex matrix (synthetic fresh urine). The data reported herein may be utilized for further researches related to elimination of pharmaceuticals in primary pollution sources such as urine. Moreover, this work also provides experimental and theoretical data useful for the understanding of the response of losartan to oxidative and photochemical processes.

Keywords: Antihypertensive elimination; Photochemical advanced oxidation processes; Pollutants degradation; Urine treatment; Water decontamination.