| Texto completo | |
| Autor(es): |
Dias, Mariana A.
;
Batista, Patrick R.
;
Ducati, Lucas C.
;
Montagner, Cassiana C.
Número total de Autores: 4
|
| Tipo de documento: | Artigo Científico |
| Fonte: | Chemosphere; v. 318, p. 10-pg., 2023-02-01. |
| Resumo | |
Microplastics can act as vectors of a wide class of contaminants in aquatic environments. The sorption behavior of two hormones known to cause adverse effects in biota even in low concentrations (testosterone-TTR and progesterone-PGT), and a pesticide with a high environmental persistence known as endocrine disruptor chemical (atrazine-ATZ) onto polyamide (PA) microplastics is investigated under different aquatic matrices using kinetic and isotherm experiments. The sorption equilibrium is achieved in 48 h, and the experimental results are better fitted by pseudo-2nd-order model. Langmuir isotherm better describes the sorption of the contaminants onto PA microplastics. PGT presents the highest sorption efficiency at around 90%, followed by TTR at 70% and ATZ at approximately 20%. Moreover, ATZ is the contaminant with the highest desorption efficiency (similar to 65%), indicating its preference for staying solubilized in water. Combining classical molecular dynamics and density functional theory calculations, the sorption energies were calculated as 12-15 kcal mol(-1), 13-16 kcal mol(-1), and 19-22 kcal mol(-1) for PGT, TTR, and ATZ, respectively, showing that PGT needs less energy to be transferred from the solvent network to the PA surface, in agreement with experimental results. The sorption mechanism is driven by hydrogen bonds onto PA outer surface, while the electrostatic interactions dominate the PA inner surface sorption. Moreover, the sorption efficiency is statistically different between the investigated matrices, indicating that physicochemical characteristics of water systems could influence the interactions between PA-contaminant. In seawater, the phenomena of salting-out/in and competitive sorption with saline ions are observed for three contaminants. The PA-contaminant complexes are more polar and soluble than the dissociated ones, which increases the contaminant's co-transport by PA in water. (AU) | |
| Processo FAPESP: | 18/21733-0 - Microplásticos como vetores de transporte de contaminantes orgânicos emergentes em matrizes aquáticas brasileiras |
| Beneficiário: | Cassiana Carolina Montagner |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |
| Processo FAPESP: | 14/50951-4 - INCT 2014: Tecnologias Analíticas Avançadas |
| Beneficiário: | Celio Pasquini |
| Modalidade de apoio: | Auxílio à Pesquisa - Temático |
| Processo FAPESP: | 17/17750-3 - Efeito do Solvente em Parâmetros Espectroscópicos de RMN por Dinâmica Molecular ab initio |
| Beneficiário: | Lucas Colucci Ducati |
| Modalidade de apoio: | Auxílio à Pesquisa - Regular |
| Processo FAPESP: | 20/10246-0 - Ressonância magnética nuclear: das sequências de pulso a determinação estrutural |
| Beneficiário: | Claudio Francisco Tormena |
| Modalidade de apoio: | Auxílio à Pesquisa - Temático |
| Processo FAPESP: | 15/18790-3 - Consequências ambientais da conversão pastagem-cana-de-açúcar e intensificação de pastagens |
| Beneficiário: | Luiz Antonio Martinelli |
| Modalidade de apoio: | Auxílio à Pesquisa - Programa de Pesquisa sobre Mudanças Climáticas Globais - Temático |
| Processo FAPESP: | 08/57808-1 - Instituto Nacional de Ciências e Tecnologias Analíticas Avançadas - INCTAA |
| Beneficiário: | Celio Pasquini |
| Modalidade de apoio: | Auxílio à Pesquisa - Temático |
| Processo FAPESP: | 18/07308-4 - Efeito do solvente em cálculos de tensor blindagem e constante de acoplamento de complexos dinucleares de platina (III) via dinâmica molecular ab initio |
| Beneficiário: | Patrick Rodrigues Batista |
| Modalidade de apoio: | Bolsas no Brasil - Doutorado |