International Journal Of Bio-Inorganic Hybrid Nanomaterials
Volume:5 Issue: 4, Winter 2017

Natural Akermanite (NAM) has been successfully prepared by a modified sol-gel method. Optimization in calcination temperature and mechanical ball milling resulted in a pure and nano-sized powder which characterized by means of scanning electron microscopy (SEM), X-ray diffraction (XRD), transmission electron microscopy (TEM) and Fourier transform infrared Spectroscopy (FT IR). Calcium nitrate, magnesium nitrate, Tetra Ethil Ortho Silicate (TEOS) and all other solvent and chemicals were analytical grade from Sigma Chemical (Tc. Litch, MO, USA). A magnesia mechanical ball mill (Jaha science, Ben, Germany) has been used to ensure the smallest particle sizes of the ceramic powder. The morphology of (AM) nanoparticles was examined by Scanning Electron Microscopy (SEM, Zaies JSM-8500, Switzerland). In this research, pure natural Akermanite (PNAM) powders were successfully obtained via a simple sol-gel method followed by calcination at 1250°C. Mechanical grinding in a ceramic ball mill for 7 hours resulted in (AM) nanoparticles in the range of about 32-55 nm. Our study suggests that nano akermanite (NAM) might be a potential candidate by itself as a nano bio ceramic filling powder or in combination with other biomaterials as a composite scaffold in bone tissue regeneration.

5-Fluorouracil (5-FU) is an anticancer drug. In this work, we have investigated the electronic properties and topological analysis of interaction between 5-FU and carbon nanocone and BN nanocone. The structural stability of isomer complexes of 5-FU with carbon nanocone and BN nanocone have been investigated for two position of interactions. We have found that the most stable complexes are formed of O8 of 5-FU (oxygen that is placed between two nitrogen) connection to nanocones. The factors of Eint and %DEgap, electron mobility, electron density (ρ) and Laplacian of electron density (s2ρb) show a more favorable interaction between the 5-FU drug and BN nanocone due to connection of O8 from 5-FU and Boron atom of BN nanocone. BN nanocone is more sensitive for complex formation with 5-FU drug. It can be concluded that BN nanocone as pharmaceutical nano carrier is an efficient drug carrier. All calculations were performed at M06/6-31* level of DFT method embedded in the Gaussian 03 program.

Conventional microbiology methods used to detect bacteria include multiple cultures and identification processes, so the results of lab work are painstaking and time-consuming. In recent years, more and more tend to use the diagnostic tests which are based on DNA; hence, DNA diagnostic biosensors have been created to perform DNA identification better. In this study, GUS and hpt genes were used to identify the species of Agrobacterium tumefaciens containing pCAMBI 1305.2 plasmid and to design primers and probes. PCR results for both GUS and hpt genes indicated amplification of two expected fragments. The specificity of the primers designed in Agrobacterium tumefaciens bacteria containing pCAMBIA1305.2 plasmid and negative control samples was evaluated. Synthesis of the gold nanoparticles was performed with a diameter of about 20 nm. Genomic DNA of the bacteria was used to detect the gold nanoparticles and the markers. Finally, using probes designed for GUS and hpt genes, simultaneous detection of the bacteria was done using multiplex probes attached to gold nanoparticles. The results showed a change of color in gold nanoparticles in the presence of the target molecule. In addition, the hybridization probes were examined with target molecules at wavelengths between 400 and 700 nm. The most significant changes occurred in the wavelength ranges of 550 to 650 nm. The results showed that using detectors attached to gold nanoparticles had higher speed and specialty than biochemical and molecular methods, and of course, it had lower costs.

We performed a density functional theory investigation on the structural and electronic properties of pristine and nitrogen-doped TiO2/Graphene oxide nanocomposites as the adsorbents for the removal of toxic NO molecules in the environment. We presented the most stable adsorption configurations and examined the interaction of NO molecule with these doped and undoped nanocomposites. It turns out that the NO molecule is preferentially adsorbed on the active oxygen and nitrogen atom sites of nanocomposite. The insights of the computations include the structural andelectronic analyses such as bond lengths/ angles, adsorption energies, density of states (DOSs) and molecular orbitals. It was found that the adsorption of NO on the N-doped nanocomposite is energetically more favorable than the adsorption on the undoped one, representing the higher reactivity of N-doped nanocomposites with NO molecule. It means that the adsorption on the N-doped nanocomposite provides the most stable configurations and consequently the most efficient adsorption processes. Nevertheless, our computational study on TiO2/Graphene oxide nanocomposites suggests that the N-doped nanocomposites are more sensitive than the undoped ones when utilized as detectors or sensors for NO detection.

Today, by using half of the oil reserves of the world, natural production of oil has decreased drastically. Gas and water injection for maintaining reservoir pressure is not responsive for oil production. At first, we dispersed silica nanoparticles in low salinity and after two weeks, there was no change in its stability. Then we mixed the nanoparticles in low salinity. After a while, we found out that nanoparticles are completely dispersed but they have lost stability over time. We added silica nanoparticles with different concentrations (0.1, 0.25, 0.5, 0.75, 1, 2) to change the wettability of silica levels of oil-wet to water-wet and observed that at low concentrations silica nanoparticles do not have much effect but it has been effective in concentrations 0.75 to 1 and in concentrations 1 to 2 it has not had much effect. At last, we found that the reason for this is a force called structural disjointing pressure. After diluting, we added salt waters to oil-wet to reduce wettability and we saw that low salinity has destabilized the disjointing pressure of oil films, it tears them, and it replaces films and result in silica surface water-wet. Finally, the tests showed that the use of silica nanoparticles in high concentrations is highly effective and 20-time low salinity are accountable in low concentrations, high temperatures but combining these two solutions increases their effectiveness, and even at ambient temperatures and low concentrations of silica nanoparticles, we see acceptable oil production.

The electronic and structural properties of single wall carbon nanotubes (SWCNTs) interacted with 4-amino phenyl-azobenzene were theoretically investigated by using the hybrid DFT (hybrid-density functional theory) calculations. The amount of thermodynamic parameters of this reaction in the gas and aqueous phase suggesting thermodynamic favourability for adsorption of 4 amino phenylazobenzene on (5, 0) zigzag CNT in both phases. The binding energy (BE) for the optimized structure of azo dye-CNT was calculated -3.92 (kcal/mol) and results showed that the physical adsorption reaction was occurred. The bonding-antibonding orbital interactions on the structural properties and reactivity of azo dye and CNNT, HOMO-LUMO bond gap and the total density of states (DOS) were quantitatively investigated by the NBO approach based on B3LYP/6-311** level of theory.

High Energy Materials is a term that is used for explosives, propellants and pyrotechnics. Explosives are used for military applications. 5-Picrylamino-1,2,3,4-tetrazole(PAT) is an explosive substance. In this study the reactions of the 5-Picrylamino-1,2,3,4-tetrazole(PAT) with nanostructures of fullerene and boron nitride nano-cages in different conditions of temperature, with density functional theory methods were studied. For this purpose, the material on both sides of reaction were geometrically optimized, After that calculation of the thermodynamic parameters were performed on all of them and then The values of ΔH, ΔG, ΔS the reaction at different temperatures for different products determined. Also some parameters including HOMO & LUMO levels, chemical hardness, electrophilicity Index, ΔNmax and chemical potential are investigated. And finally, the best positions and temperatures for the synthesis of explosives nano derivatives and effect of molecular weight and type of nano-cages on chemical properties and stability of PAT and nano derivatives were evaluated.

The present research describes the performance of NiO NPs/Ag-clinoptilolite composite adsorbent for the removal of uranium (U(VI)) ions from drinking water of Dezful city-Iran. Prior to the experiment reactions, Na-clinoptilolite was chemically treated with NaCl, Silver ions (Ag) and subsequently Nickel (NiO) NPs to prepare NiO NPs/Ag-clinoptilolite. The samples were characterized by SEM, AAS, XRD and FTIR techniques. The removal process of U(VI) ions by the NiO NPs/Agclinoptilolite adsorbent was exploited under various conditions including pH, adsorbent dose, the contact time and initial concentration at room temperature. The adsorption isotherm models including Langmuir, Freundlich, Temkin and Hasley were applied. Experimental adsorption isotherm is successfully described by Langmuir model with a maximum adsorption capacity 23.5849 mg of (VI)/g of NiO NPs/ Ag-clinoptilolite. The ICP-AES results indicated that U(VI) was adsorbed on the composite surface active after 60 min at room temperature with a yield 94%. The reaction kinetic information was studied by utilizing pseudo first and second orders kinetic models. The adsorption kinetics was found fit the pseudo-second-order models. Further the evaluation of the thermodynamic parameters such as DG0, DH0 and DS0, denoted that adsorption process of U(VI) was spontaneous and illustrates a physical adsorption properties and exothermic nature of the adsorption.