شماره ركورد كنفرانس
3777
عنوان مقاله
Carbon Nano cone,BP Nano cone and CSi Nano cone as Nano Carriers for5-Fluorouracil Anticancer Drug,A DFT Study
پديدآورندگان
Nikmaram Farrokh Roya Nikmaram87@yahoo.com Department of Chemistry, Faculty of Science, Yadegar - e- Imam Khomeini (RAH) Shahre Rey Branch, Islamic , Nasiri Moghadam Tahereh Sadat tah1390@gmail.com Department of Chemistry, Faculty of Science, Yadegar - e- Imam Khomeini (RAH) Shahre Rey Branch, Islamic
تعداد صفحه
6
كليدواژه
Carbon Nano cone , BP Nano cone , CSi Nano cone , 5 , Fluorouracil , DFT
سال انتشار
1395
عنوان كنفرانس
سومين كنفرانس ملي نوآوري هاي اخير در شيمي و مهندسي شيمي
زبان مدرك
انگليسي
چكيده فارسي
The calculations of the electronic and structural properties for interactions of 5-Fluorouracil with Carbon Nano cone, BP Nano cone and CSi Nano cone as Nano Carriers have been conducted by self-consistent reaction field (SCRF) method in water solvent at B3PW91/6-31G(d,p) level of DFT theory. We are finding the BP nano cone is more sensitive for complex formation with 5-Fluorouracil drug. The result of calculations reveals that the 5-Fluorouracil molecule has stronger actions with BP nanocone.
كشور
ايران
لينک به اين مدرک