The Development of Molecular Imprinting Technology for Caffeine Extraction
Molecularly Imprinted Polymers (MIPs) is a type of macromolecule formed by application of molecularly imprinting technology, which creates cavities in synthetic polymeric matrices which are highly selective to an imprinted template. MIPs were synthesized experimentally using methacrylic acid (M...
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doaj-e99c09c2c4d6476886ed09cfe376823a2020-11-25T01:52:55ZengUniversitas IndonesiaInternational Journal of Technology2086-96142087-21002015-10-016454655410.14716/ijtech.v6i4.14151415The Development of Molecular Imprinting Technology for Caffeine ExtractionFaizatul Shimal Mehamod0K. KuBulat1Noor Fadilah Yusof2Nor Amira Othman3School of Fundamental Science, Universiti Malaysia Terengganu, 21030 Kuala Terengganu, Terengganu Darul Iman, MalaysiaSchool of Fundamental Science, Universiti Malaysia Terengganu, 21030 Kuala Terengganu, Terengganu Darul Iman, MalaysiaSchool of Fundamental Science, Universiti Malaysia Terengganu, 21030 Kuala Terengganu, Terengganu Darul Iman, MalaysiaSchool of Fundamental Science, Universiti Malaysia Terengganu, 21030 Kuala Terengganu, Terengganu Darul Iman, MalaysiaMolecularly Imprinted Polymers (MIPs) is a type of macromolecule formed by application of molecularly imprinting technology, which creates cavities in synthetic polymeric matrices which are highly selective to an imprinted template. MIPs were synthesized experimentally using methacrylic acid (MAA), divinylbenzene-80 (DVB-80), azobisisobutyronitrile (AIBN) and methanol as a monomer, cross-linker, initiator and porogen, respectively. The Non-Imprinted Polymer (NIP) was produced simultaneously to serve as a control polymer. The rational design approach was theoretically conducted by Ab Initio Molecular Orbital Studies using Gaussian 09 computational software package at the theoretical level of DFT B3LYP/6-31 (d,p). The basis set is used to optimize the number of monomers and their binding site with the template. In both studies, MIPs were prepared with different ratios of template to monomer form a complex of 1:3, 1:4 and 1:5. Experimentally, the MIPs synthesized via precipitation polymerization technique produced homogenous spherical beads distribution where the complex 1:3 gave the best. Theoretical studies support this experimental finding where the complex 1:3 gave the highest interaction energy between caffeine and MAA, -45.29 kJ/mol followed by 1:4, -43.52 kJ/mol and 1:5, -43.11 kJ/mol.http://ijtech.eng.ui.ac.id/article/view/1415Caffeine, Computational study, Extraction, Molecularly Imprinted Polymers (MIPs), Monomer-template interaction |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Faizatul Shimal Mehamod K. KuBulat Noor Fadilah Yusof Nor Amira Othman |
spellingShingle |
Faizatul Shimal Mehamod K. KuBulat Noor Fadilah Yusof Nor Amira Othman The Development of Molecular Imprinting Technology for Caffeine Extraction International Journal of Technology Caffeine, Computational study, Extraction, Molecularly Imprinted Polymers (MIPs), Monomer-template interaction |
author_facet |
Faizatul Shimal Mehamod K. KuBulat Noor Fadilah Yusof Nor Amira Othman |
author_sort |
Faizatul Shimal Mehamod |
title |
The Development of Molecular Imprinting Technology for Caffeine Extraction |
title_short |
The Development of Molecular Imprinting Technology for Caffeine Extraction |
title_full |
The Development of Molecular Imprinting Technology for Caffeine Extraction |
title_fullStr |
The Development of Molecular Imprinting Technology for Caffeine Extraction |
title_full_unstemmed |
The Development of Molecular Imprinting Technology for Caffeine Extraction |
title_sort |
development of molecular imprinting technology for caffeine extraction |
publisher |
Universitas Indonesia |
series |
International Journal of Technology |
issn |
2086-9614 2087-2100 |
publishDate |
2015-10-01 |
description |
Molecularly Imprinted Polymers (MIPs) is a type
of macromolecule formed by application of molecularly imprinting technology,
which creates cavities in synthetic polymeric matrices which are highly
selective to an imprinted template. MIPs were synthesized
experimentally using methacrylic acid
(MAA), divinylbenzene-80 (DVB-80), azobisisobutyronitrile (AIBN) and methanol as
a monomer, cross-linker, initiator and porogen,
respectively. The Non-Imprinted Polymer (NIP) was produced simultaneously to serve as a control polymer. The rational design
approach was theoretically conducted by Ab Initio Molecular Orbital Studies using Gaussian 09 computational software package
at the theoretical level of DFT B3LYP/6-31 (d,p). The basis set is used to
optimize the number of monomers and their binding site with the template. In
both studies, MIPs were prepared with different ratios of template to monomer
form a complex of 1:3, 1:4 and 1:5. Experimentally, the MIPs synthesized via precipitation polymerization
technique produced homogenous spherical beads distribution where the complex
1:3 gave the best. Theoretical studies support this experimental finding where
the complex 1:3 gave the highest interaction energy between caffeine and MAA,
-45.29 kJ/mol followed by 1:4, -43.52 kJ/mol and 1:5, -43.11 kJ/mol. |
topic |
Caffeine, Computational study, Extraction, Molecularly Imprinted Polymers (MIPs), Monomer-template interaction |
url |
http://ijtech.eng.ui.ac.id/article/view/1415 |
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