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Current Organic Chemistry


ISSN (Print): 1385-2728
ISSN (Online): 1875-5348

Chemometric and Computational Strategies for Rational Design of Molecularly Imprinted Polymer

Author(s): Xi Wu, Yan-Ping Huang and Zhao-Sheng Liu

Volume 20, Issue 4, 2016

Page: [459 - 468] Pages: 10

DOI: 10.2174/1385272819666150828195933

Price: $65


Molecularly imprinted polymers (MIPs) are synthetic materials with tailor-made binding sites for a variety of chemical substances. However, the optimization of MIPs formulation is time-consuming and labourintensive since the interactions presenting in the pre-polymerisation mixture are complicated. Therefore, chemometrics, in which mathematical or statistical methods are used to analyze data, has been regarded as a useful tool to the optimization of MIP preparation. This article gave a mini review of the current status of the synthetic strategies in MIPs based on chemometric and computational methods in the past decade. The perspectives in the computation-based optimization for MIP preparation were also discussed.

Keywords: Molecularly imprinted polymers, design and evaluation, chemometrics, molecular dynamics.

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