تحلیل اثر جذب بیومولکول فلاوین مونونوکلئوتید بر روی فرکانس طبیعی نانولوله های زیست سازگار برن- نیتریدی

نوع مقاله : مقاله پژوهشی

نویسنده

گروه مهندسی مکانیک، دانشکده ی فنی، دانشگاه مراغه، مراغه، ایران

چکیده

در این مطالعه، رفتار ارتعاشی و فرکانس طبیعی نانولوله برن– نیتریدی تک و دوجداره، تحت جذب فیزیکی بیومولکول‌های فلاوین‌مونونوکلئوتید با استفاده از شبیه‌سازی دینامیک مولکولی در دو محیط مختلف خلا و محیط آبی بررسی شده است. همچنین، تاثیر شرایط مرزی متفاوت و پارامترهای هندسی مانند شعاع و تعداد جداره‌ها بر فرکانس طبیعی مطالعه گردیده است. بر اساس نتایج بدست‌آمده، جذب فیزیکی این مولکول، فرکانس طبیعی نانولوله‌های برن- نیتریدی را کاهش می‌دهد که درمورد نانولوله‌های برن- نیتریدی با شرایط مرزی کاملا گیردار قابل توجه است. علاوه بر این، ملاحظه شد که تغییر فرکانسی نانولوله‌ی برن- نیتریدی با تکیه‌گاه گیردار- آزاد در محیط سیال آبی به دلیل تغییر شکل مود ناشی از نیروی خارجی وان‌دروالس، مثبت خواهد بود. همچنین، مشاهده شده است که تغییر فرکانس نانولوله‌های برن- نیتریدی تک جداره با نسبت ابعاد کوچکتر در مقایسه با نانولوله‌های برن- نیتریدی تک جداره با نسبت ابعاد بزرگتر و نانولوله‌های دو جداره، بیشتر است. مطالعه در محیط آبی نشان می‌دهد که تغییر فرکانس به طور قابل توجهی افزایش می‌یابد درحالی‌که شیب این تغییر نسبت به درصد وزنی مولکول کاهش می‌یابد. نتایج این مطالعه را می‌توان به عنوان یک مطالعه‌ی پایه‌ای در سیستم‌های نانوالکترومکانیکی مربوط به طراحی نانوبیوسنسورهای با کارآمدی بیشتر تشخیص مولکول‌ها در محیط‌های دارای سیال در نظر گرفت.

کلیدواژه‌ها

موضوعات


عنوان مقاله [English]

Analyzing the effect of adsorption of Flavin Mononucleotide biomolecule on the natural frequency of biocompatible boron-nitride nanotubes

نویسنده [English]

  • Shahram Ajori
Department of Mechanical Engineering, Faculty of Engineering, University of Maragheh
چکیده [English]

In this study, natural frequency of single- and double-walled boron-nitride nanotubes under physical adsorption of Flavin Mononucleotide molecules are investigated employing the molecular dynamics simulations in vacuum and aqueous environments. The effects of different boundary conditions and geometrical parameters on the natural frequency have been explored. According to the results, the physical adsorption of polymers reduces the natural frequency of boron-nitride nanotubes which is considerable in the case of boron-nitride nanotubes with fully clamped boundary conditions. Moreover, it has been observed that the frequency shift for clamped-free boundary condition in an aqueous environment due to change in mode-shape which is the result of van der Waals interaction with environment, is positive. Also, it is observed that frequency shift of single-walled boron-nitride nanotubes with smaller aspect ratios is higher than that of single-walled boron-nitride nanotubes with higher aspect ratios and double-walled boron-nitride nanotubes. Considering the aqueous environments, frequency shift considerably increases, whereas the slope of variation with the weight percentage decreases. The result of this study can be used as the benchmark for further studies in nanoelectromechanical systems to design more efficient molecular recognition nanobiosensors in aqueous environments.

کلیدواژه‌ها [English]

  • Boron-nitride nanotube
  • physical adsorption
  • Flavin Mononucleotide
  • Natural frequency
  • Molecular dynamics simulations
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