Insertion mechanism and stability of boron nitride nanotubes in lipid bilayers.

نویسندگان

  • Michael Thomas
  • Marta Enciso
  • Tamsyn A Hilder
چکیده

We provide insight into the interaction of boron nitride nanotubes (BNNTs) with cell membranes to better understand their improved biocompatibility compared to carbon nanotubes (CNTs). Contrary to CNTs, no computational studies exist investigating the insertion mechanism and stability of BNNTs in membranes. Our molecular dynamics simulations demonstrate that BNNTs are spontaneously attracted to lipid bilayers and are stable once inserted. They insert via a lipid-mediated, passive insertion mechanism. BNNTs demonstrate similar characteristics to more biocompatible functionalized CNTs.

برای دانلود رایگان متن کامل این مقاله و بیش از 32 میلیون مقاله دیگر ابتدا ثبت نام کنید

ثبت نام

اگر عضو سایت هستید لطفا وارد حساب کاربری خود شوید

منابع مشابه

THERMODYNAMIC STUDY OF LEVODOPA DRUG ADSORPTION ON ZIGZAG BORON NITRIDE NANOTUBES BY DENSITY FUNCTIONAL THEORY (DFT) METHOD

Background & Aims: The overall goal of utilizing nanotubes in drug delivery is to treat a disease effectively with minimum side effects and control the drug release rate. With common methods of taking the medication, such as orally and intravenously, the drug is distributed throughout the body, and the whole body is affected by the drug, and adverse side effects occur. With the development of n...

متن کامل

Theoretical comparison of thermodynamic parameters, NMR analysis, electronic properties of Boron Nitride and Aluminum Nitride nanotubes

In this research, geometrical structures of armchair single walled boron nitride nanotube (SWBNNT) and armchair single walled aluminum nitride nanotube (SWAlNNT) were optimized by Density Functional Theory (DFT) in the gas phase, both having the same length of 5 angstrom and n=9, m=9. B3LYP/6-31G* level of theory have been used to determine and compare electronic properties, n...

متن کامل

Investigating the Effects of Molecular Oxygen Impurity on the Quadrupole Coupling Constants of Boron Nitride Nanotubes: Computational Studies

Density functional theory (DFT) calculations have been performed to investigating the effects of themolecular oxygen impurity on the quadrupole coupling constant (Qcc) parameters of armchair and zigzagboron nitride nanotubes (BNNTs). Optimization processes have been performed to relax the original andimpure structures of the investigated BNNTs. Afterwards, the Qcc parameters have been evaluated...

متن کامل

Theoretical insights into the adsorption behavior of CO molecules on the pure and Vn-doped BN nanotubes

Interaction of pure and Vn-doped (8, 0), (12, 0) and (16, 0) boron nitride nanotubes with CO molecules was studied using B3LYP/6-311++G(d) theoretical level. Substituting V instead of B atoms, increased the reactivity of nanotube. From the results, the complex stability depends on the direction and the number of the CO molecules interacted with the nanotube. In this work, the quantum...

متن کامل

DFT Study of Interactions of Carbenes with Boron Nitride Nanotubes

Single-walled boron nitride nanotubes are chosen as model reactants, and (10,0) and (6,6) are chosen as representatives of armchair and zigzag nanotubes, respectively, to study the interaction of carbenes of the type :CX2. It is found that, contrary to the case of carbon nanotubes, boron nitride tubes, particularly armchair BNNTs, do not show a propensity for cyclopropane ring formation. The SW...

متن کامل

ذخیره در منابع من


  با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید

عنوان ژورنال:
  • The journal of physical chemistry. B

دوره 119 15  شماره 

صفحات  -

تاریخ انتشار 2015