Theoretical Design of Biodegradable Phthalic Acid Ester Derivatives in Marine and Freshwater Environments - Zhang, Haigang; Zhao, Chengji; Na, Hui (ChemistryOpen (Weinheim), 2020)
Keywords: Binding; Binding energy; Biodegradability; Biodegradation; Derivatives; Drug Design; Energy value; Esters; Esters - chemistry; Free energy; Free radicals; Fresh Water; Freshwater environments; microplastics; Models, Molecular; Molecular Conformation; molecular modification; Nitrogen dioxide; Oceans and Seas; pharmacophore models; Photodegradation; Phthalic Acids - chemistry; Phthalic Acids - metabolism; Plastic pollution; Plastics; Pollutants; Polyvinyl chloride; Quantitative Structure-Activity Relationship; ratio normalization method; Seawater; Three dimensional models; ratio normalization method; pharmacophore models; microplastics; photodegradation; molecular modification