Fullerene (C۲۴) as a Potential Sensor for the Detection of Acrylamide: A DFT Study
- سال انتشار: 1403
- محل انتشار: فصلنامه شیمی نوین، دوره: 11، شماره: 2
- کد COI اختصاصی: JR_IJNC-11-2_001
- زبان مقاله: انگلیسی
- تعداد مشاهده: 92
نویسندگان
Department of Food Science and Technology, Islamic Azad University, Science and Research Branch, Tehran, Iran
Master’s degree in food industry engineering- food chemistry
Department of Veterinary Medicine, Science and Research Branch, Islamic Azad University, Tehran, Iran
چکیده
Acrylamide is a toxic chemical that is formed in starchy foods like potato chips and can cause cancer in humans. Therefore, its detection is of great importance. In this research, the performance of C۲۴ fullerene as an electrocatalytic sensing material for acrylamide was checked out by DFT simulations. The obtained adsorption energies showed acrylamide interaction with C۲۴ is experimentally feasible. The calculated thermodynamic parameters including ΔGad, ΔHad, and Kth showed acrylamide adsorption process is spontaneous, exothermic, and reversible. The NBO results demonstrated no chemical bond has created between acrylamide and fullerene in the adsorption procedure, hence the adsorption nature is a physisorption. The calculated frontier molecular orbital indices showed the bandgap of fullerene experienced a -۵۲% decline after interacting with acrylamide. Therefore, this nanostructure can be employed as an excellent electrocatalytic sensing material for the fabrication of a new electrochemical sensor for the determination of acrylamide.کلیدواژه ها
Acrylamide, density functional theory, Adsorption, Fullerene (C۲۴), sensorاطلاعات بیشتر در مورد COI
COI مخفف عبارت CIVILICA Object Identifier به معنی شناسه سیویلیکا برای اسناد است. COI کدی است که مطابق محل انتشار، به مقالات کنفرانسها و ژورنالهای داخل کشور به هنگام نمایه سازی بر روی پایگاه استنادی سیویلیکا اختصاص می یابد.
کد COI به مفهوم کد ملی اسناد نمایه شده در سیویلیکا است و کدی یکتا و ثابت است و به همین دلیل همواره قابلیت استناد و پیگیری دارد.