Environmental fate of emerging pollutants in surface waters and sustainable alternatives for their mitigation: a hybrid experimental & theoretical approach

• Grant number: 19/24158-9
• Support Opportunities: Regular Research Grants
• Start date: November 01, 2020
• End date: October 31, 2022
• Field of knowledge: Engineering - Chemical Engineering - Chemical Process Industries
• Agreement: CONFAP - National Council of State Research Support Foundations
• Principal Investigator: Antonio Carlos Silva Costa Teixeira
• Grantee: Antonio Carlos Silva Costa Teixeira
• Host Institution: Escola Politécnica (EP). Universidade de São Paulo (USP). São Paulo , SP, Brazil
• Associated researchers: Arlen Mabel Lastre Acosta ; Bruno Ramos ; Luciano Ribeiro ; Nayara Dantas Coutinho ; Paulo de Sousa Carvalho Júnior ; Renato Rosseto
• Associated research grant(s): 22/13583-3 - 5th Iberoamerican Conference on Advanced Oxidation Technologies (CIPOA), AR.EXT

Abstract

Micro-pollutants of emerging concern have imposed a major technological challenge: pesticides, drugs and other anthropogenic substances are increasingly found in aquatic ecosystems and even in water supply, being related to adverse effects on biota and human health. Overcoming this challenge requires understanding the behavior of these species in the environment and the development of technologies that allow for minimizing their emission into water bodies. Viable alternatives should include the use of solar radiation, easily scalable photochemical reactors, and efficient and sustainable catalysts. In this direction, we highlight the main proposals of this project, such as (i) evaluation of the environmental persistence of emerging contaminants in the state of Goias; (ii) determination of their degradation pathway, and characterisation of their products, in surface waters from that state; (iii) development of sustainable processes for the removal of these pollutants prior to their final disposal; and (iv) development of new computational tools capable of predicting the half-life of an emerging pollutant in surface water bodies. In order to mitigate experimental costs and lead to a detailed understanding of molecular reactive channels, the determinant steps of degradation processes will be modeled using quantum computational chemistry and Transition State Theory methods. In a context where the states of São Paulo and Goiás are national leaders in the industrial and agricultural sectors, this project intends to bring original scientific and technological contributions, given the growing concern about the quality of Brazilian water resources. (AU)

Scientific publications

(10)

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

SOUZA, LARISSA P.; CARNEIRO, JOAO G. M.; LASTRE-ACOSTA, ARLEN M.; RAMOS, BRUNO; TEIXEIRA, ANTONIO C. S. C.. Environmental Persistence of the Antidepressant Fluoxetine and Its Pharmaceutical Alternative: Kinetics of Oxidation and Mathematical Simulations. WATER, v. 14, n. 21, p. 13-pg., 2022-11-01. (19/24158-9)

CASTANHEIRA, BRUNA; BROCHSZTAIN, SERGIO; OTUBO, LARISSA; TEIXEIRA, ANTONIO CARLOS S. C.. Periodic mesoporous organosilicas containing naphthalenediimides as organic sensitizers for sulfadiazine photodegradation. JOURNAL OF HAZARDOUS MATERIALS, v. 443, p. 9-pg., 2023-02-05. (18/21271-6, 16/05496-2, 19/24158-9)

SANCHES-NETO, FLAVIO O.; RAMOS, BRUNO; LASTRE-ACOSTA, ARLEN M.; TEIXEIRA, ANTONIO CARLOS S. C.; CARVALHO-SILVA, VALTER H.. Aqueous picloram degradation by hydroxyl radicals: Unveiling mechanism, kinetics, and ecotoxicity through experimental and theoretical approaches. Chemosphere, v. 278, SEP 2021. (19/24158-9)

ROCHA, CAROLINA MENDES; LASTRE-ACOSTA, ARLEN MABEL; SILVA PARIZI, MARCELA PRADO; SILVA COSTA TEIXEIRA, ANTONIO CARLOS. Environmental photochemical fate of pesticides ametryn and imidacloprid in surface water (Paranapanema River, Sao Paulo, Brazil). Environmental Science and Pollution Research, v. 29, n. 28, p. 15-pg., 2022-01-15. (19/00696-1, 19/24158-9)

RAMOS, BRUNO; VAZ, WESLEY F.; DINIZ, LUAN F.; NETO, FLAVIO O. SANCHES; RIBEIRO, JULIO C. O.; CARVALHO-SILVA, VALTER H.; TEIXEIRA, ANTONIO CARLOS S. C.; RIBEIRO, CAUE; NAPOLITANO, HAMILTON B.; CARVALHO JR, PAULO S.. Kinetics, mechanism, and tautomerism in ametryn acid hydrolysis: From molecular structure to environmental impacts. Chemosphere, v. 324, p. 10-pg., 2023-03-10. (19/24158-9)

DE SOUZA, LARISSA PINHEIRO; SANCHES-NETO, FLAVIO; JUNIOR, GIBERTO MITSUYOSHI YUKI; RAMOS, BRUNO; LASTRE-ACOSTA, ARLEN MABEL; CARVALHO-SILVA, VALTER HENRIQUE; TEIXEIRA, ANTONIO CARLOS SILVA COSTA. Photochemical environmental persistence of venlafaxine in an urban water reservoir: A combined experimental and computational investigation. PROCESS SAFETY AND ENVIRONMENTAL PROTECTION, v. 166, p. 13-pg., 2022-08-28. (19/24158-9)

PALHARIM, PRISCILA HASSE; CAIRA, MARIA CLARA D'AMARO; GUSMAO, CAROLINA DE ARAUJO; RAMOS, BRUNO; DOS SANTOS, GABRIEL TRINDADE; RODRIGUES JR, ORLANDO; TEIXEIRA, ANTONIO CARLOS SILVA COSTA. Effect of temperature and time on the hydrothermal synthesis of WO3-AgCl photocatalysts regarding photocatalytic activity. CHEMICAL ENGINEERING RESEARCH & DESIGN, v. 188, p. 19-pg., 2022-11-03. (19/24158-9)

LASTRE-ACOSTA, ARLEN MABEL; ROCHA, CAROLINA MENDES; MENDES, MARIA ANITA; SILVA COSTA TEIXEIRA, ANTONIO CARLOS; OLLER DO NASCIMENTO, CLAUDIO AUGUSTO. Sunlight-driven environmental photodegradation of 2-chlorobiphenyl (PCB-1) in surface waters: kinetic study and mathematical simulations. Environmental Science and Pollution Research, OCT 2021. (19/24158-9)

SILVA DE JESUS, JULIANA MENDONCA; ARGOLO, ALLAN DOS SANTOS; TOMINAGA, FLAVIO KIYOSHI; TAQUEDA, MARIA ELENA; BILA, DANIELE MAIA; BORRELY, SUELI IVONE; SILVA COSTA TEIXEIRA, ANTONIO CARLOS. Experimental Design and Bioassays as Tools to Investigate the Impact of Anodic Oxidation on Progestins Degradation. WATER, v. 15, n. 1, p. 18-pg., 2023-01-01. (19/24158-9)

GUSMAO, CAROLINA DE ARAUJO; BORGES, LAURA TEIXEIRA; PALHARIM, PRISCILA HASSE; OTUBO, LARISSA; RODRIGUES, ORLANDO; GOUVEA, DOUGLAS; RAMOS, BRUNO; SILVA COSTA TEIXEIRA, ANTONIO CARLOS. Synthesis, Characterization, and Application of Pt/PtO2-TiO2/SiO2 Materials on a Continuous Flow Packed Bed Microreactor for Enhanced Photocatalytic Activity under Sunlight. WATER, v. 14, n. 23, p. 18-pg., 2022-12-01. (21/10919-8, 19/24158-9, 22/12331-0)