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Adsorption of Flavonoid Molecules on Carbon Nanotubes by Molecular Dynamics Simulation

عنوان مقاله: Adsorption of Flavonoid Molecules on Carbon Nanotubes by Molecular Dynamics Simulation
شناسه ملی مقاله: ISPTC18_199
منتشر شده در هجدهمین همایش شیمی فیزیک ایران در سال 1394
مشخصات نویسندگان مقاله:

M Dehestani - Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, Iran
Z Abadanian - Department of Chemistry, Shahid Bahonar University of Kerman, Kerman, Iran

خلاصه مقاله:
Carbon nanotubes (CNTs) have shown great promise in biomedical, environmentalapplications and as nanoscaled vehicles for targeted drug delivery. One of the mainadvantages of the CNT is its ability to deliver drugs directly to cancer cells [1[.Flavonoids are polyphenolic compounds comprising fifteen carbons, with two aromatic ringsconnected by a three-carbon bridge ]2[. Natural polyphenols, the most abundant antioxidantsin human diet, have many potential benefits in human health ]3[. The main subclasses offlavonoids are the flavones, flavonols, flavan-3-ols, isoflavones, flavanones andanthocyanidins ]2[.We have investigated the adsorption of these six compounds on carbon nanotube (6,6).

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/552658/