Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University, Indonesia
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@article{JKSA17928, author = {Sekar Dewi and Tri Windarti and Parsaoran Siahaan}, title = {Kitosan sebagai Bahan Dasar Drug Delivery: Studi Interaksi Segmen Dimer Kitosan dengan Vitamin C secara Komputasi Ab Initio dan Eksperimen}, journal = {Jurnal Kimia Sains dan Aplikasi}, volume = {16}, number = {2}, year = {2013}, keywords = {komputasi; ab initio; energi interaksi; drug delivery; kitosan; vitamin C}, abstract = {Studi interaksi antarmolekul antara kitosan dan vitamin C secara komputasi ab initio dan eksperimen untuk memahami penggunaan kitosan sebagai bahan dasar drug delivery telah dilakukan. Parameter yang dianalisis adalah energi interaksi dan spektra IR. Perhitungan dilakukan terhadap dua konformasi interaksi yaitu antara sisi atom N segmen dimer kitosan bermuatan parsial negatip masing-masing dengan sisi atom H pada cincin vitamin C yang bermuatan parsial positip (konformasi I) dan sisi atom H di luar cincin (konformasi II). Energi dan jarak interaksi konfigurasi I masing-masing sebesar -62,263 kJ mol-1 dan 1,897 Å, sedangkan konfigurasi II sebesar -32,641 kJ mol-1 dan 2,226 Å. Spektra IR menunjukkan mode-mode vibrasi pada kedua senyawa yang berinteraksi. Kesimpulan hasil pemodelan adalah bahwa kitosan dapat mengikat vitamin C dengan energi yang berbeda. Hasil pemodelan diverifikasi dengan absorpsi vitamin C oleh kitosan melalui pencampurkan 2,5 g kitosan dan 0,25 % larutan vitamin C. Pengukuran vitamin C yang tersisa dan uji lepas lambat vitamin C yang terserap dalam kitosan dalam media air dilakukan dengan spektrofotometer UV-Vis. Hasil eksperimen menunjukkan bahwa kitosan dapat menyerap vitamin C sebesar 46,5 % serta pada 10 menit pertama konsentrasi vitamin C yang dilepas sebesar 95,15 ppm.}, issn = {2597-9914}, pages = {63--68} doi = {10.14710/jksa.16.2.63-68}, url = {https://ejournal.undip.ac.id/index.php/ksa/article/view/17928} }
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