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Synthesis of Molecularly Imprinted Nano-porous Polymer for the Enrichment of Taxol as Anti-Cancer Agent

Shirzaei Sani, Ehsan | 2013

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  1. Type of Document: M.Sc. Thesis
  2. Language: Farsi
  3. Document No: 44163 (06)
  4. University: Sharif University of Technology
  5. Department: Chemical and Petroleum Engineering
  6. Advisor(s): Abdekhodaie, Mohammad Jafar; Nematollahzadeh, Ali; Musavi, Abbas
  7. Abstract:
  8. In the present research, first, a series of molecular dynamics (MD) simulations of pre-polymerization mixtures for taxol (template) imprinted polymers was performed to select an appropriate monomer and its intermolecular bonds with the template. Finally, after synthesis, performance and morphological evaluation of taxol imprinted polymer were presented. In the molecular modeling step, a virtual library of functional monomers was created containing eleven frequently used monomers. The MD simulations were first conducted to select the optimum monomer from the virtual library using acetonitrile as porogen. Methacrylic acid among the studied functional monomers was found to possess stronger affinity (interaction energy of −391.87 kcal mol−1) toward the template. For the bond distance analysis, radial distribution functions (RDFs) were plotted and functional groups with the highest possible hydrogen bond formation were predicted. In the second phase of this study, the taxol molecularly imprinted polymers (MIP) were prepared by both bulk polymerization (porogen: chloroform or acetonitrile) and precipitation technique (porogen: acetonitrile) at the same polymerization condition. As a reference, non-imprinted polymer (NIP), which did not contain the template, was also prepared in parallel with the MIP by using the same synthetic protocol. Hence, the rebinding capacity of synthetic polymers was evaluated by batch rebinding experiments and using high performance liquid chromatography (HPLC). Accordingly, taxol adsorption onto the MIP was prepared in chloroform and acetonitrile using bulk polymerization method exhibited maximum adsorption capacity of 1.377µg/mg−1 and 0.633µg/mg−1 and imprinting factor of 1.544 and 1.642, respectively. Maximum adsorption and imprinting factor for the samples prepared in acetonitrile were 1.851µg/mg−1 and 1.048, respectively. The SEM images show that the mentioned polymers had an average size of 42.64, 37.52 µm and 502.45 nm, respectively
  9. Keywords:
  10. Molecular Dynamic Simulation ; Taxol ; Molecularly Imprinted Polymers ; Anticancer Drugs ; Bulk Polymerization ; Precipitation Polymerization

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