Computational design and synthesis of molecular imprinted membranes for selective extraction of Quercetin

This thesis presents the fabrication of quercetin imprinted membranes (QIM) for selective extraction of quercetin through surface polymerization method. In the development of QIM, selection of functional monomer and the optimum molar ratio of template-monomer were facilitated by the application of m...

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Format:	Thesis
Language:	English
Subjects:	Quercetin Bioflavonoids Molecular imprinting Quercetin imprinted membranes (QIM)
Online Access:	http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/1/Page%201-24.pdf http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/2/Full%20text.pdf http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/4/Siti%20Fatimah.pdf
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spelling	my-unimap-779732023-03-06T00:43:01Z Computational design and synthesis of molecular imprinted membranes for selective extraction of Quercetin Mohd Irfan Hatim, Mohamas Dzahir, Dr. This thesis presents the fabrication of quercetin imprinted membranes (QIM) for selective extraction of quercetin through surface polymerization method. In the development of QIM, selection of functional monomer and the optimum molar ratio of template-monomer were facilitated by the application of molecular modelling through the use of HyperChem software. Three functional monomers were investigated including acrylamide, methacrylic acid and 4-vinylpyridine and the optimization of pre-polymerization complex was conducted at molar ratio of 1:1 to 1:5 for each of the monomers. The results indicated that molar ratio of 1:4, which involving the interaction between quercetin and acylamide could provide potentially favourable pre-polymerization complex prior to the synthesis of QIM. After this step had been established, QIM were developed based on the computational results. In order to deposit the imprinted layer on the surface of membrane, polyvinylidene fluoride (PVDF) membrane was used as the polymer support and then, they were subjected to thermal polymerization process and subsequent removal of template from the polymer matrix. QIM and non-imprinted membranes (NIM) were synthesized to evaluate and characterize the differences with respect to their morphology, chemical functionality as well as their binding behaviour towards quercetin and other components. The confirmation on the presence of imprinted layer on PVDF membrane was done through FTIR, FESEM and AFM analysis. From the results obtained, it can be summarized that imprinted layer composed of recognition sites were successfully formed and distributed evenly on the surface of QIM. For the binding performance evaluation, batch binding, kinetic binding and selectivity tests were conducted. The maximum binding capacity of QIM in batch binding was 25.63 mg/g, which is higher than binding capacity of NIM with the capacity value of 7.47 mg/g. Apart from that, QIM also exhibits higher adsorption rate at the initial stage of adsorption process and the saturation time was achieved after 3-4 hours contact time. Modelling of isotherm and kinetic adsorption showed that QIM has a homogenous surface and followed Elovich kinetic model, respectively. Finally, the selectivity test of QIM was investigated by using sinensetin and rosmarinic acid as competitive components. It demonstrated that QIM showed higher recognition capability towards quercetin compared to sinensetin and rosmarinic acid. Universiti Malaysia Perlis (UniMAP) Thesis en http://dspace.unimap.edu.my:80/xmlui/handle/123456789/77973 http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/3/license.txt 8a4605be74aa9ea9d79846c1fba20a33 http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/1/Page%201-24.pdf 674ef200417b90c1657e7d6fb07e8f46 http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/2/Full%20text.pdf 751392a4627e3974688f6910e3f702b7 http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/4/Siti%20Fatimah.pdf c05e1471f67bb4faacb8e265405d19ef Universiti Malaysia Perlis (UniMAP) Quercetin Bioflavonoids Molecular imprinting Quercetin imprinted membranes (QIM) School of Materials Engineering
institution	Universiti Malaysia Perlis
collection	UniMAP Institutional Repository
language	English
advisor	Mohd Irfan Hatim, Mohamas Dzahir, Dr.
topic	Quercetin Bioflavonoids Molecular imprinting Quercetin imprinted membranes (QIM)
spellingShingle	Quercetin Bioflavonoids Molecular imprinting Quercetin imprinted membranes (QIM) Computational design and synthesis of molecular imprinted membranes for selective extraction of Quercetin
description	This thesis presents the fabrication of quercetin imprinted membranes (QIM) for selective extraction of quercetin through surface polymerization method. In the development of QIM, selection of functional monomer and the optimum molar ratio of template-monomer were facilitated by the application of molecular modelling through the use of HyperChem software. Three functional monomers were investigated including acrylamide, methacrylic acid and 4-vinylpyridine and the optimization of pre-polymerization complex was conducted at molar ratio of 1:1 to 1:5 for each of the monomers. The results indicated that molar ratio of 1:4, which involving the interaction between quercetin and acylamide could provide potentially favourable pre-polymerization complex prior to the synthesis of QIM. After this step had been established, QIM were developed based on the computational results. In order to deposit the imprinted layer on the surface of membrane, polyvinylidene fluoride (PVDF) membrane was used as the polymer support and then, they were subjected to thermal polymerization process and subsequent removal of template from the polymer matrix. QIM and non-imprinted membranes (NIM) were synthesized to evaluate and characterize the differences with respect to their morphology, chemical functionality as well as their binding behaviour towards quercetin and other components. The confirmation on the presence of imprinted layer on PVDF membrane was done through FTIR, FESEM and AFM analysis. From the results obtained, it can be summarized that imprinted layer composed of recognition sites were successfully formed and distributed evenly on the surface of QIM. For the binding performance evaluation, batch binding, kinetic binding and selectivity tests were conducted. The maximum binding capacity of QIM in batch binding was 25.63 mg/g, which is higher than binding capacity of NIM with the capacity value of 7.47 mg/g. Apart from that, QIM also exhibits higher adsorption rate at the initial stage of adsorption process and the saturation time was achieved after 3-4 hours contact time. Modelling of isotherm and kinetic adsorption showed that QIM has a homogenous surface and followed Elovich kinetic model, respectively. Finally, the selectivity test of QIM was investigated by using sinensetin and rosmarinic acid as competitive components. It demonstrated that QIM showed higher recognition capability towards quercetin compared to sinensetin and rosmarinic acid.
format	Thesis
title	Computational design and synthesis of molecular imprinted membranes for selective extraction of Quercetin
title_short	Computational design and synthesis of molecular imprinted membranes for selective extraction of Quercetin
title_full	Computational design and synthesis of molecular imprinted membranes for selective extraction of Quercetin
title_fullStr	Computational design and synthesis of molecular imprinted membranes for selective extraction of Quercetin
title_full_unstemmed	Computational design and synthesis of molecular imprinted membranes for selective extraction of Quercetin
title_sort	computational design and synthesis of molecular imprinted membranes for selective extraction of quercetin
granting_institution	Universiti Malaysia Perlis (UniMAP)
granting_department	School of Materials Engineering
url	http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/1/Page%201-24.pdf http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/2/Full%20text.pdf http://dspace.unimap.edu.my:80/xmlui/bitstream/123456789/77973/4/Siti%20Fatimah.pdf
_version_	1776104237517766656

Computational design and synthesis of molecular imprinted membranes for selective extraction of Quercetin

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