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PBAT is biodegradable but what about the toxicity of its biodegradation products?

Ana MartínezEmiliano Perez-SanchezAlexis CaballeroRodrigo RamírezEsperanza QuevedoDiana Salvador-García
Published in: Journal of molecular modeling (2024)
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.
Keyphrases
  • high speed
  • drug delivery
  • oxidative stress
  • density functional theory
  • molecular dynamics simulations