Date of Award

1-1-2017

Language

English

Document Type

Dissertation

Degree Name

Doctor of Philosophy (PhD)

College/School/Department

Department of Nanoscale Science and Engineering

Program

Nanoscale Engineering

Content Description

1 online resource (ii, xix, 157 pages) : illustrations (some color)

Dissertation/Thesis Chair

Susan T Sharfstein

Committee Members

Alan Chen, Jodi O'Donnell, Nathaniel Cady

Keywords

Computational Chemistry, Docking, Molecular Dynamics, Molecularly Imprinted Polymers, Quantum Mechanics, Selectivity, Imprinted polymers, Molecular imprinting, Chemical detectors, Chirality, Molecular dynamics, Nanostructured materials

Subject Categories

Materials Science and Engineering | Nanoscience and Nanotechnology | Other Chemistry

Abstract

Molecularly imprinted polymers (MIPs) are a class of materials containing sites capable of selectively binding to the imprinted target molecule. Computational chemistry techniques were used to study the effect of different fabrication parameters (the monomer-to-target ratios, pre-polymerization solvent, temperature, and pH) on the formation of the MIP binding sites. Imprinted binding sites were built in silico for the purposes of better characterizing the receptor – ligand interactions. Chiefly, the sites were characterized with respect to their selectivities and the heterogeneity between sites.

Download

Share

COinS