Validation and application of modeling algorithms for the design of molecularly imprinted polymers. Issue 23 (December 2014)

• Record Type: Journal Article
• Authors: Liu, Bing; Ou, Lulu; Zhang, Fuyuan; Zhang, Zhijun; Li, Hongying; Zhu, Mengyu; Wang, Shuo
• Is Part Of: Journal of separation science. Volume 37:Issue 23(2014:Dec.)
• Page Start: NA
• Page End: NA
• Publication Date: 2014-12
• Subjects: Separation (Technology) -- Periodicals; Chromatographic analysis -- Periodicals; 543.089
• DOI: 10.1002/jssc.201470211
• Languages: English
• ISSNs: 1615-9306

Abstract

<abstract abstract-type="graphical" xml:lang="en" id="jssc201470211-abs-0001"> <title> <x xml:space="preserve">Abstract</x> </title> <p>(J. Sep. Sci. 2014, 37 (23), 3579–3586)</p> <p>DOI: <ext-link ext-link-type="doi" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink">10.1002/jssc.201400799</ext-link></p> <p>Molecular modeling has been gradually used to design the synthesis of MIPs. Four semi‐empirical algorithms were applied in the optimization of the ratios of template and monomers. The binding energies of template‐monomer complexes were calculated and the docking configures were assessed in different molar ratio of template/monomer. <boxed-text content-type="graphic" position="anchor" orientation="portrait"><graphic position="anchor" mimetype="image" xlink:href="ark:/27927/pgh2jc9c8zj" orientation="portrait" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink" /></boxed-text></p> </abstract>