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PBAT is biodegradable but what about the toxicity of its biodegradation products?
Scientific Inquiry and Review
2024
27 citations
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Citation count from OpenAlex, updated daily. May differ slightly from the publisher's own count.
Ana Martı́nez,
Emiliano Perez-Sanchez,
A Molina Caballero,
Rodrigo Ramírez,
Esperanza Quevedo,
Diana Salvador-García
Summary
Researchers used density functional theory (DFT) computations to assess the toxicity of biodegradation products from PBAT, a widely used biodegradable plastic, analyzing electron-donating and electron-accepting properties to evaluate potential chemical hazards as the material breaks down in the environment.
All DFT computations were performed using the Gaussian16 at M062x/6-311 + g(2d,p) level of theory without symmetry constraints. Electro-donating (ω-) and electro-accepting (ω +) powers were used as response functions.