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CHEMICAL KINETICS AND INTERACTIONS INVOLVED IN HORSERADISH PEROXIDASE-MEDIATED OXIDATIVE POLYMERIZATION OF PHENOLIC COMPOUNDS

Cheng, wenjing (2012) CHEMICAL KINETICS AND INTERACTIONS INVOLVED IN HORSERADISH PEROXIDASE-MEDIATED OXIDATIVE POLYMERIZATION OF PHENOLIC COMPOUNDS. Master's Thesis, University of Pittsburgh. (Unpublished)

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Abstract

To address the growing need for removing the emerging endocrine disrupting compounds (EDCs), 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.
Various 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), 17β-estradiol (E2), estriol (E3), and 17α-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, E3, E1, E2 and EE2 (in increasing order). It is also found that oxidative coupling was controlled by enzyme-substrate interactions, 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.


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Details

Item Type: University of Pittsburgh ETD
Status: Unpublished
Creators/Authors:
CreatorsEmailPitt UsernameORCID
Cheng, wenjingcheng.wenjing@hotmail.com
ETD Committee:
TitleMemberEmail AddressPitt UsernameORCID
Committee ChairHarper, Willie
Committee MemberCasson, Leonard
Committee MemberMonnell, Jason
Date: 30 January 2012
Date Type: Publication
Defense Date: 17 November 2011
Approval Date: 30 January 2012
Submission Date: 22 November 2011
Access Restriction: 1 year -- Restrict access to University of Pittsburgh for a period of 1 year.
Number of Pages: 81
Institution: University of Pittsburgh
Schools and Programs: Swanson School of Engineering > Civil and Environmental Engineering
Degree: MS - Master of Science
Thesis Type: Master's Thesis
Refereed: Yes
Uncontrolled Keywords: Estrogen, Horseradish Peroxidase, Enzymatic Oxidative Coupling, Wastewater
Related URLs:
Date Deposited: 30 Jan 2012 21:29
Last Modified: 15 Nov 2016 13:55
URI: http://d-scholarship.pitt.edu/id/eprint/10530

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