?url_ver=Z39.88-2004&rft_val_fmt=info%3Aofi%2Ffmt%3Akev%3Amtx%3Adc&rft.relation=http%3A%2F%2Fd-scholarship-dev.library.pitt.edu%2F10530%2F&rft.title=CHEMICAL+KINETICS+AND+INTERACTIONS+INVOLVED+IN+HORSERADISH+PEROXIDASE-MEDIATED+OXIDATIVE+POLYMERIZATION+OF+PHENOLIC+COMPOUNDS&rft.creator=Cheng%2C+wenjing&rft.description=To+address+the+growing+need+for+removing+the+emerging+endocrine+disrupting+compounds+(EDCs)%2C+the+enzyme-based+oxidative+coupling+reaction+is+suggested+as+promising+alternative+in+consideration+of+its+generally+high+specificity+and+removal+efficiency+on+treatment+of+waters+containing+estrogenic+phenolic+chemicals.+%0D%0AVarious+factors+that+affect+the+reaction+rate+of+oxidative+coupling+(OXC)+reaction+of+phenolic+estrogens+catalyzed+by+Horseradish+Peroxidase+(HRP)+were+evaluated+in+this+study.+Kinetic+parameters+were+obtained+for+the+removal+of+phenol+as+well+as+natural+and+synthetic+estrogens+estrone+(E1)%2C+17%CE%B2-estradiol+(E2)%2C+estriol+(E3)%2C+and+17%CE%B1-ethinylestradiol+(EE2).+Molecular+orbital+theory+and+Autodock+software+were+employed+to+analyze+chemical+properties+and+substrate+binding+characteristics.+It+is+found+that+the+reactions+were+first+order+with+respect+to+phenolic+concentration+and+reaction+rate+constants+(kr)+were+determined+for+phenol%2C+E3%2C+E1%2C+E2+and+EE2+(in+increasing+order).+It+is+also+found+that+oxidative+coupling+was+controlled+by+enzyme-substrate+interactions%2C+not+diffusion.+Docking+simulations+show+that+higher+binding+energy+and+shorter+binding+distance+both+promote+more+favorable+kinetics.+This+research+is+the+first+to+show+that+the+OXC+of+phenolics+is+an+entropy-driven+and+enthalpy-retarded+process.%0D%0A&rft.date=2012-01-30&rft.type=University+of+Pittsburgh+ETD&rft.type=PeerReviewed&rft.format=application%2Fpdf&rft.language=en&rft.identifier=http%3A%2F%2Fd-scholarship-dev.library.pitt.edu%2F10530%2F1%2FMS_thesis-Wenjing_Final.pdf&rft.identifier=++Cheng%2C+wenjing++(2012)+CHEMICAL+KINETICS+AND+INTERACTIONS+INVOLVED+IN+HORSERADISH+PEROXIDASE-MEDIATED+OXIDATIVE+POLYMERIZATION+OF+PHENOLIC+COMPOUNDS.++Master's+Thesis%2C+University+of+Pittsburgh.++++(Unpublished)++