دانشگاه آزاد اسلامی واحد علوم و تحقیقات

 آمار

تعداد نشریات50
تعداد شماره‌ها2,232
تعداد مقالات20,475
تعداد مشاهده مقاله25,234,328
تعداد دریافت فایل اصل مقاله22,868,266
Ghalandari, B., Mollaamin, F., Pishkar, L., Khalili Haddad, B.. (1387). Investigation of Solvent Effects on Interaction of Single-Strand DNA with Open-End of Single Walled Carbon Nanotubes Using QM and MM methods. , 5(4), 39-46.
B. Ghalandari; F. Mollaamin; L. Pishkar; B. Khalili Haddad. "Investigation of Solvent Effects on Interaction of Single-Strand DNA with Open-End of Single Walled Carbon Nanotubes Using QM and MM methods". , 5, 4, 1387, 39-46.
Ghalandari, B., Mollaamin, F., Pishkar, L., Khalili Haddad, B.. (1387). 'Investigation of Solvent Effects on Interaction of Single-Strand DNA with Open-End of Single Walled Carbon Nanotubes Using QM and MM methods', , 5(4), pp. 39-46.
Ghalandari, B., Mollaamin, F., Pishkar, L., Khalili Haddad, B.. Investigation of Solvent Effects on Interaction of Single-Strand DNA with Open-End of Single Walled Carbon Nanotubes Using QM and MM methods. , 1387; 5(4): 39-46.

Investigation of Solvent Effects on Interaction of Single-Strand DNA with Open-End of Single Walled Carbon Nanotubes Using QM and MM methods

Journal of Physical & Theoretical Chemistry
مقاله 7، دوره 5، شماره 4، اردیبهشت 2009، صفحه 39-46  XML اصل مقاله (165.85 K)
نوع مقاله: Research Paper
نویسندگان
B. Ghalandari* ؛ F. Mollaamin* ؛ L. Pishkar* ؛ B. Khalili Haddad*
-
چکیده
The interaction of biomolecules with carbon nanotubes (CNTs) has generated a great deal of
interest in the past few years. The interaction between B-form single-strand DNA (ssDNA) and
single-walled carbon nanotubes (SWCNTs) is a subject of intense current interest; however there
are a relatively small number of papers in the literature dealing with interaction of DNA and
SWCNTs. In this work we investigate interaction of ssDNA with open-end of SWCNT; using
AMBER, MM+ and OPLS force fields in molecular mechanic (MM) method. We study effects of
increase the molecular number of solvent on interaction of ssDNA with SWCNTs, using these
force fields too. The interaction of ssDNA with open-end of SWCNT in water and ethanol have
been calculated using density functional theory (DFT) at the theoretical level of B3LYP/6-31G (d,
p) and have been made a comparison between dipole moment; energy and atomic charges in
vacuum; water and ethanol. Our results show that interaction of ssDNA with open-end of SWCNT
could be optimum in polar solvent.
کلیدواژه‌ها
DNA؛ SWCNTs؛ interaction؛ Solvent effect
آمار
تعداد مشاهده مقاله: 863
تعداد دریافت فایل اصل مقاله: 390


سامانه مدیریت نشریات علمی. قدرت گرفته از سیناوب