Application of functionalized C60 as antibacterial nanomaterials for water disinfection: stability and characteristics by computational method

سال انتشار: 1395
نوع سند: مقاله کنفرانسی
زبان: انگلیسی
مشاهده: 446

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شناسه ملی سند علمی:

ENERGYCONF06_020

تاریخ نمایه سازی: 6 بهمن 1395

چکیده مقاله:

One of the most important steps in the water treatment disinfection process. Some nanomaterials, including fullerenes due to antibacterial properties in these processes can be used as disinfectants, and also reduce disinfection byproducts produced during traditional processes of water treatment.Fullerene researches in biological systems has been hindered by the compound's relative insolubility in water. The main objective of the functionalization of fullerenes is their solubility in water and combined with biological molecules. In this study we examined the C60 fullerene due to its antibacterial properties and then was functionalized by groups that increases its solubility in water. we investigated the effects of functional groups on aromaticity and Gibbs Free Energy of functionalized C60 reactions.The purpose of this research is to investigate stability functionalized C60 by two parameters aromaticity and Gibbs Free Energy. the second periodic elements and halogens were used for functionalization.

نویسندگان

s Esmaeilzadeh

Mahabad Petrochemical Company /Faculty of Chemistry, Department of Physical Chemistry, University of Kashan

m Hamadanian

Institute of Nanoscience and Nanotechnology, University of Kashan/ Faculty of Chemistry, Department of Physical Chemistry, University of Kashan

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