Enhanced Biodegradation/Photodegradation of Organophosphorus Fire Retardant Using an Integrated Method of Modified Pharmacophore Model with Molecular Dynamics and Polarizable Continuum Model

Enhanced Biodegradation/Photodegradation of Organophosphorus Fire Retardant Using an Integrated Method of Modified Pharmacophore Model with Molecular Dynamics and Polarizable Continuum Model

A comprehensive 3D-quantitative structure–activity relationship (QSAR) pharmacophore model was constructed using the values of comprehensive biodegradation/photodegradation effects of 17 organophosphorus flame retardants (OPFRs) evaluated by a normalization method to modify OPFRs with high biodegrad...

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Bibliographic Details
Main Authors: Jiawen Yang, Qing Li, Yu Li
Format: Article
Language:English
Published: MDPI AG 2020-07-01
Series:Polymers
Subjects:
organophosphorus fire retardant
biodegradation
photodegradation
normalization method
3D-QSAR pharmacophore model
molecular dynamics
Online Access:https://www.mdpi.com/2073-4360/12/8/1672

Internet

https://www.mdpi.com/2073-4360/12/8/1672

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