Sharif Digital Repository

Since there have been many difficulties in clinical administration of anticancer drugs due to their poor solubility & targeting, development of new biodegradable Nano-carriers can provide good solutions to overcome the most of recent problems to obtain a better controlled release and targeted delivery of drugs with better efficiency and less side-effects. Acidic pH is regarded as a phenotypic characteristic of cancer tumors. Under this acidic condition, it is known that the surface charge of Chitosan-modified nano-particles become more positive. On the other hand, cancer cells are negatively charged. It is worth mentioning that by loading of anticancer drugs into this novel system, a strong... 

The adsorption and dissociation of H2O2 on small PdxM3-x (M=Pt, Cu; x = 1-3) clusters is investigated using the B3PW91 hybrid density functional method. Natural bond orbitals are analysed to obtain partial charges on atoms, dipole moments, bond orders, and hybrid orbitals of the PdxM3-x-H2O2 systems. The calculated adsorption energies are in the range of -0.32 to -2.12 eV. Generally, H2O2 adsorbs on top positions through one of its oxygen atoms and only in a few cases reacts with the cluster through both oxygen and hydrogen sides. In the latter case the cluster sites which are negatively charged interact with the hydrogen atoms. Interestingly, on the triplet Pd2Pt cluster, H2O2 dissociates... 

We synthesized by electrostatic self-assembly route in basic solution Fe3O4–cysteine/RGO and Fe3O4/RGO–cysteine nanocomposites. In this method, electrostatic interaction was created via negatively charged surface of the reduced graphene oxide and reduced graphene oxide–cysteine sheets and positively charged surface of the Fe3O4 and Fe3O4–Cys nanoparticles in aqueous solution. The structural and magnetic properties of the prepared samples were analyzed by x-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, transmission electron microscopy (TEM), and vibrating sample magnetometer (VSM), respectively. The dependences of magnetization as a function of... 

In this study, a simple route to the formation of DNA-gold complex has been reported, using immobilized DNA as a template. The nanoporous gold films have been prepared by the electrostatic self assembly of gold nanoparticles capped with tryptophan. Tryptophan would improve surface properties of gold nanoparticles for strongly attaching to DNA. Fourier transform infrared spectroscopy confirmed that gold nanoparticles have been capped by tryptophan. Also measured zeta potential shows that there are positive charges on the surface of gold nanoparticles. Investigations by atomic force microscopy substantially confirm that tryptophan-capped gold nanoparticles can be bonded to DNA template... 

In this study, synthesis of conductive metal nanowires by using aligned and immobilised DNA strand on solid substrate is reported. The nanoporous gold film was prepared by electrostatic self assembly of gold nanoparticles capped with tryptophan. Tryptophan would improve surface properties of gold nanoparticles for strongly attaching to DNA. Fourier transform infrared (FTIR) spectroscopy confirmed that gold nanoparticles have been capped by tryptophan. Also measured zeta potential shows that there are positive charges on the surface of gold nanoparticles. Investigations by AFM observati on substantially confirm that tryptophan-capped gold nanoparticles can be bonded to DNA template... 

We synthesized by electrostatic self-assembly route in basic solution Fe3O4–cysteine/RGO and Fe3O4/RGO–cysteine nanocomposites. In this method, electrostatic interaction was created via negatively charged surface of the reduced graphene oxide and reduced graphene oxide–cysteine sheets and positively charged surface of the Fe3O4 and Fe3O4–Cys nanoparticles in aqueous solution. The structural and magnetic properties of the prepared samples were analyzed by x-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, transmission electron microscopy (TEM), and vibrating sample magnetometer (VSM), respectively. The dependences of magnetization as a function of... 

In the present study, bubble-driven magnesium-based micromotors were fabricated through a shading method, and the potential of magnetic guidance of magnesium-based Janus micro/nanomotors through functionalization with superparamagnetic iron oxide nanoparticles (SPIONs) was investigated for the first time. SPIONs had physical electrostatic attraction with the positively charged magnesium spheres due to negative charges on their surfaces. It was also found that upon applying a field gradient, the micromotors’ velocity increased by 13% unlike other magnetically navigated spherical magnesium-based micromotors which only show a change in direction. In this work the cytotoxicity of the moving... 

The relationship between unpaired electron delocalization and nearest-neighbor atomic relaxations in the vacancies of diamond has been determined in order to understand the microscopic reason behind the neighboring atomic relaxation. The Density Functional Theory (DFT) cluster method is applied to calculate the single-electron wavefunction of the vacancy in different charge states. Depending on the charge and spin state of the vacancies, at outward relaxations, 84-90% of the unpaired electron densities are localized on the first neighboring atoms. The calculated spin localizations on the first neighboring atoms in the ground state of the negatively charged vacancy and in the spin quintet... 

Density functional theory (DFT) calculations were performed at the B3LYP level with a 6-311++G(d,p) basis set to systematically explore the geometrical multiplicity and binding strength for complexes formed by Li+, Na+, and K+ with cytidine and 2′-deoxycytidine. All computational studies indicate that the metal ion affinity (MIA) decreases from Li+ to Na+ and K+ for cytosine nucleosides. For example, for cytidine the affinity for the above metal ions are 79.5, 55.2, and 41.8 and for 2′-deoxycytidine, 82.8, 57.4, and 42.2 kcal/mol, respectively. It is also interesting to mention that linear correlations between calculated MIA values and the atomic numbers (Z) of the above metal ions were...