Pemilihan Monomer Fungsional Terbaik Dalam Molecularly Imprinted Polymer (MIP) Monogliserida Lard Menggunakan Metode Komputasi
Abstract
Pemilihan monomer fungsional yang cocok dan dianggap relatif cukup baik selektivitasnya dalam pembuatan MIP dapat dilakukan dengan bantuan komputer (computer aided) untuk mengurangi trial and error. Dimana molekul target (template) dan monomer fungsional dimodelkan dalam bentuk 3D menggunakan software ChemBio Ultra 12 selanjutnya diinteraksikan menggunakan software AutoDock Tools 1.5.6 dan Pyrx untuk melihat binding interaction yang terjadi dan binding energy serta kemiripan sifat polaritas yang secara teoritis dapat memberikan informasi sebelum dilakukan sintesis MIP. Seleksi monomer fungsional secara bertahap dilakukan berdasarkan ada tidaknya binding interaction, tahap berikutnya dilihat berdasarkan binding energy yang paling besar (negatif) dan terakhir adalah momen dipol. Berdasarkan data tersebut monomer fungsional terpilih adalah molekul Benzo-15-crown-5-acrylamide dengan binding Interaction berupa ikatan hydrogen serta nilai binding energy dan momen dipol paling besar.Downloads
References
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