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Article

Environmental Persistence of the Antidepressant Fluoxetine and Its Pharmaceutical Alternative: Kinetics of Oxidation and Mathematical Simulations

by
Larissa P. Souza
1,*,
João G. M. Carneiro
1,
Arlen M. Lastre-Acosta
1,2,
Bruno Ramos
1,3 and
Antonio C. S. C. Teixeira
1,*
1
Research Group in Advanced Oxidation Processes (AdOx), Department of Chemical Engineering, Escola Politécnica, University of Sao Paulo, Sao Paulo 05508-010, SP, Brazil
2
Agência Ambiental do Vale do Paraíba, Rua Euclídes Miragaia, 433, Sala 201–Edifício Cristal Center–Centro, São José dos Campos 12210-110, SP, Brazil
3
Department of Metallurgical and Materials Engineering, Escola Politécnica, University of São Paulo, Sao Paulo 05508-010, SP, Brazil
*
Authors to whom correspondence should be addressed.
Water 2022, 14(21), 3536; https://doi.org/10.3390/w14213536
Submission received: 21 September 2022 / Revised: 19 October 2022 / Accepted: 31 October 2022 / Published: 3 November 2022
(This article belongs to the Special Issue Research on Micropollutants in Urban Water)
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Abstract

To investigate the impact of antidepressants (ANT) in water, estimates of the direct and indirect photolysis of standard fluoxetine hydrochloride (FLX) and a pharmaceutical alternative, fluoxetine sulfate (FLXSO4), were evaluated. The second-order kinetic constants of the ANT and reactive photoinduced species (RPS) (singlet oxygen, 1O2; hydroxyl radicals, HO•; and triplet excited states of chromophoric dissolved organic matter, 3CDOM*) were obtained by competition kinetics under simulated solar radiation. These parameters were used in combination with water characteristics to assess the environmental persistence of the ANT based on mathematical kinetic simulations. The results indicated that the reactions with HO• (kFLX,HO• = (2.54 ± 0.06) × 109 L mol−1 s−1; kFLXSO4,HO• = (3.07 ± 0.03) × 109 L mol−1 s−1) and 3CDOM* (kFLX,3CDOM* = (2.67 ± 0.05) × 109 L mol−1 s−1; kFLXSO4,3CDOM* = (1.48 ± 0.03) × 109 L mol−1 s−1) play a more important role in the degradation of ANT compared to the reactions with 1O2 (kFLX,1O2 = (1.37 ± 0.07) × 107 L mol−1 s−1; kFLXSO4,1O2 = (1.63 ± 0.33) × 107 L mol−1 s−1). The main removal pathways were biodegradation and direct photolysis with persistence in the following order FLX > FLXSO4. Therefore, the presence of sulfate anions can contribute to the degradation of fluoxetine in sunlit environmental waters.
Keywords: antidepressants; photolysis; photoinduced reactive species (RPS); competition kinetics; photochemical environmental persistence; real matrix; Guarapiranga reservoir; environmental modeling; APEX model antidepressants; photolysis; photoinduced reactive species (RPS); competition kinetics; photochemical environmental persistence; real matrix; Guarapiranga reservoir; environmental modeling; APEX model
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MDPI and ACS Style

Souza, L.P.; Carneiro, J.G.M.; Lastre-Acosta, A.M.; Ramos, B.; Teixeira, A.C.S.C. Environmental Persistence of the Antidepressant Fluoxetine and Its Pharmaceutical Alternative: Kinetics of Oxidation and Mathematical Simulations. Water 2022, 14, 3536. https://doi.org/10.3390/w14213536

AMA Style

Souza LP, Carneiro JGM, Lastre-Acosta AM, Ramos B, Teixeira ACSC. Environmental Persistence of the Antidepressant Fluoxetine and Its Pharmaceutical Alternative: Kinetics of Oxidation and Mathematical Simulations. Water. 2022; 14(21):3536. https://doi.org/10.3390/w14213536

Chicago/Turabian Style

Souza, Larissa P., João G. M. Carneiro, Arlen M. Lastre-Acosta, Bruno Ramos, and Antonio C. S. C. Teixeira. 2022. "Environmental Persistence of the Antidepressant Fluoxetine and Its Pharmaceutical Alternative: Kinetics of Oxidation and Mathematical Simulations" Water 14, no. 21: 3536. https://doi.org/10.3390/w14213536

APA Style

Souza, L. P., Carneiro, J. G. M., Lastre-Acosta, A. M., Ramos, B., & Teixeira, A. C. S. C. (2022). Environmental Persistence of the Antidepressant Fluoxetine and Its Pharmaceutical Alternative: Kinetics of Oxidation and Mathematical Simulations. Water, 14(21), 3536. https://doi.org/10.3390/w14213536

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