1. A theoretical investigation of the interaction of Immucillin-A with N-doped TiO2 anatase nanoparticles: Applications to nanobiosensors and nanocarriers

Amirali Abbasi; Jaber Jahanbin Sardroodi

Volume 2, Issue 1 , Winter 2017, , Pages 7-17

http://dx.doi.org/10.22034/nmrj.2017.22964

Abstract
  Objective(s): Adsorption of IMMUCILLIN-A (BCX4430) molecule on the pristine and N-doped TiO2 anatase nanoparticles were studied using the density functional theory (DFT) calculations. The adsorption energy analysis indicated that TiO2+IMMUCILLIN-A complexes including OC-substituted TiO2 have higher adsorption ...  Read More

A theoretical investigation of the interaction of Immucillin-A with N-doped TiO<sub>2</sub> anatase nanoparticles: Applications to nanobiosensors and nanocarriers


2. A First-Principles Study of the Interaction of Aspirin with Nitrogen-Doped TiO2 Anatase Nanoparticles

Amirali Abbasi; Jaber Jahanbin Sardroodi

Volume 1, Issue 2 , Autumn 2016, , Pages 69-78

http://dx.doi.org/10.7508/nmrj.2016.02.002

Abstract
  Objective(s): First-principles calculations have been carried out to investigate the interaction of aspirin molecule with nitrogen-doped TiO2 anatase nanoparticles using the density functional theory method in order to fully exploit the biosensing capabilities of TiO2 particles. Methods: For this purpose, ...  Read More