سال:1397 | دوره: | شماره: |تعداد مقالات:10

In this study, the influence of fullerene junction on the chemical features of 16 different drugs including Captopril, Clonidine, Methyldopa, Naphazoline, Oxymetazoline, Tetrahydrozoline, Xylometazoline, Tolazoline, Clemastine, Procyclidine, Tyramine, Nicotine, Dextroamphetamine, Fluoxetine, Metoprolol and Enalapril was investigated computationally. For this purpose, the mentioned drugs were placed on the fullerene firstly. Then single molecules of drugs and their fullerene derivatives were optimized geometrically. Afterwards, adsorption energies and also some chemical properties such as HOMO and LOMO energy levels, energy gap, chemical hardness, electrophilicity, maximum transmitted electron and dipole moment in the reactions were determined for each drug and their fullerene derivatives. In the next step, the results were presented as tables and charts, and the effect of fullerene on the chemical traits of the drugs was evaluated. The obtained results indicate that fullerene has a strong interaction with methyldopa, Dextroamphetamine, Tyramine, Tolazoline, Enalapril and Metoprolol drugs. And this nanostructure can be an electroactive sensing material or a prominent carrier for these drugs. All of the calculations were implemented by Density functional theory (DFT) in the level of B3LYP/6-31G (d).

Restoring and non-restoring divider has become widely applicability in the era of digital computing application due to its computation speed. In this paper, we have proposed the design of divider of different architecture for the computation of Vedic sutra based. The design of divider in the Vedic mode results in high computation throughput due to its replica architecture, where latency is minimized in each of the replica stages. The proposed novel divider based symmetric key crypto-hardware architecture for lightweight embedded devices and the results obtained for this architecture by the analysis using the QCA Designer tool. For the physical environment in QCA computing paradigm are achieved through optimization the architecture of cell by using the robust design computing architecture. For the extended perspective of lower divider to higher divider and to synthesize, target outcomes by using efficient architecture.

Sub-micrometer-sized CdS spheres were synthesized by hydrothermal and solvothermal reactions using Cd(NO3)2.4H2O and CH4N2S raw materials at a constant stoichiometric 1: 2, Cd: S molar ratio. Various conditions such as solvent type (water and/or ethanol), reaction time and temperature were examined for the synthesis of the targets. The synthesized materials were characterized by powder X-ray diffraction (PXRD) technique and fourier-transform infrared (FTIR) spectroscopy. Crystal structure study was performed in a comparison mode to investigate the crystalline phase purity and growth of the obtained CdS materials when the reaction conditions were changed. The PXRD data indicated that the as-synthesized materials were crystallized well in a hexagonal crystal system with the space group P63mc. However, the crystal phase growth study showed that a cubic crystal system of CdS was obtained as a second crystal phase in the mixture. The morphologies of the synthesized materials were studied by field emission scanning electron microscopy (FESEM) technique. The data showed that the reaction solvent had a critical influence on the morphology of the obtained materials. Ultraviolet-visible spectra showed that the synthesized CdS materials had strong light absorption in the ultraviolet-visible light regions. The calculated direct optical band gap energies of the obtained materials were in the ranges of 1.90-2.30 eV.

Passive method is a new procedure in stabilizing loose soils. This methodology is a type of interlocking soil particles structures. In order to optimum improve in this method, it is necessary to achieve proper penetration length and increase the shear strength of parameters. Researchers have shown an increased resistance to liquefaction and decreased permeability due to colloidal Nano silica injection in soil. In this research, sandy soil was mixed with silt in 5%, 10%, and 15% percent. Then, specimens in dry and saturated conditions were placed under the influence of Nano silica colloid. For determining geotechnical properties of improved specimens, direct shear test was performed in three situations (dry, saturated, and injected). Moreover, for studying drainage condition after stabilizing specimens, constant head, permeability test was carried out. The results showed that geotechnical properties in the injected state increased compared to the non-injected state. Generally, this increase in cohesion and integral friction respectively on average in specimen’s equal 2%, 1.18% and in saturate state equal 1.21%, 1.13%. Besides, with the injection of Nano silica colloid, the amount of vertical settlement in the samples on average 22% decreased. Furthermore, the amount of permeability of the stabilized materials showed on average 58% went down.

Nano Magnetic Logic (NML) has been attracting application in optical computing, nanodevice formation, and low power. In this paper nanoscale architecture such as the decoder, multiplexer, and comparator are implemented on perpendicular-nano magnetic logic (pNML) technology. All these architectures with the superiority of minimum complexity and minimum delay are pointed. The proposed architectures have been designed using pNML in MagCAD tool, simulated with modelsim platform and correctness shown by simulation waveform. The correctness of these designs can be verified easily when Verilog code is generated from MagCAD tool. The performance of the proposed comparator towards default parameters shows the area of 2.4336 mm2 and critical path of 1.5E-7 sec. As a higher order, the realization of a 4-to-1 multiplexer in NML has also been included in this work.

Mesoporous nanostructured g-Al2O3 powders were synthesized through multi- step precipitation procedures using the pH-swing technique. Structural and morphological characteristics in addition to the thermal behavior of the procured samples were characterized via X-ray diffraction (XRD), field emission scanning electron microscopy (FESEM), fourier transform infrared (FT-IR) spectroscopy, thermogravimetry-derivative thermal gravimetric (TG-DTG) and N2 adsorption–desorption isotherm. Plackett-Burman design was implemented as a screening method to examine the impacts of fifteen variables on physical properties of synthesized g -Al2O3 as a response variable. Specific surface area, pore volume and average pore diameter of the prepared samples were found to be within the ranges of 72-335.7 m2/g, 0.26-1.03 cm2/g and 4.6-15.2 nm, respectively. It was determined that the variables including pH value on the acidic region, time in the alkaline region and number of pH-swing frequencies had major effects on the pore diameter of the procured g -Al2O3 powders. Calcination by steaming had the most significant effect on specific surface area, while the pH value on the acidic region had the greatest impact on pore volume.

Biofabrication of metallic nanoparticles have attracted the researchers of various disciplines for the past few decades, due to their wide range of applications in the various fields of electronics, textiles industries, nano medicine, biopharmacy and biotechnology. Keeping in view the above important applications, we have successfully biosynthesized the silver nanoparticles (AgNPs) using leaf extract of Andrographis serpyllifolia. These green silver nanoparticles are characterized by using different spectroscopic methods like ultra violetvisible spectroscopy (UV-Vis), Fourier transform-infrared spectroscopy (FTIR), transmission electron microscope (TEM), Energy-dispersive X-ray spectroscopy (EDX) and X-ray diffraction (XRD). The green As-AgNPs are characterized by spectral analysis by Nanodrop-UV-visible spectroscopy, the surface plasmon resonance peak of silver nanoparticles in colloidal solution, showed maximum absorption at 421 nm. Fourier transform-infrared spectroscopy results indicate the participation of N-H stretching of amides, carboxylic acids, ether groups and O-H hydroxyl groups and C-O stretching of alcohols are used in the formation of As-AgNPs. The XRD data indicate that As-AgNPs are the face-centered cubic structure in nature. The particle size analysis reveals that the biosynthesized As-AgNPs were spherical in shape and the average size is 6±2 nm. The As-AgNPs are highly stable due the negative Zeta potential -27.2 mV indicates that the As-AgNPs are polydispersed in nature. The antimicrobial studies of As-AgNPs on different bacterial strains show effective antimicrobial activity when compared with the standard antibiotic. The biosynthesized As- AgNPs also showed excellent antioxidant activity by DPPH, Nitric oxide and Hydrogen peroxide method. Hence the biosynthesized silver nanoparticles can be useful for various biomedical applications.

Poly (vinylpyridine-N-N-methylenebisacrylamide-acrylicacid) (2-VP-MBAm-AA) was prepared from the reaction of TiO2-methacryloxypropyltrimethoxysilane (TiO2-MAPTMS) with 2-vinylpyridine, methylenbisacrylamide (MBAm) and tert-butyl acrylate (t-BuA). Subsequently (2-VP-MBAm-AA) was reacted with CuI to give the Cu (I) NPs supported onto the above polymer. These immobilized nano-particles were characterized by scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX), FT-IR and inductively coupled plasma optical emission spectrometry (ICP-OES). This well characterized composite was examined as effective and reusable heterogeneous catalyst in water for the regioselective synthesis of 1, 4-disubstituted 1, 2, 3-triazoles in excellent yields. The catalyst can be recovered by simple filtration and reused for at least five runs without losing its efficiency.

Theoretical study of the electronic structure using, Density Functional Theory (DFT) calculations at the B3PW91/6-31G (d) level of theory have been employed to the TM@C34 (TM =Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) in order to investigate the geometries, electronic structures, binding energies, linear polarizability ⟨Da⟩, first order hyperpolarizability ⟨b⟩, natural bonding orbital (NBO), was studied based on the ‘’C34’’ fullerene. The results found that the most stable structure is e(C2). Minimal energy structures of each endohedral metallofullerene were obtained. Hybridizations were found between the Ti, V, Cr, Fe, Co, and Ni, 3d valence orbitals and the ‘’C34’’ cage orbitals, while none was found between the Mn and Cu orbitals and the ‘’C34’’ cage orbitals. These findings were obtained with the preferential position of the metal atom inside the fullerene cage, i.e. these results are found suitable for the metal Mn and Cu orbitals present inside the fullerene cage. Natural bonding orbital (NBO), shows that the charges always transfer from the TM atoms to the ''C34'' cage. In going from isolated TM atom to TM@C34, the occupation of the 4s orbital is strongly reduced. The introduction to TM to the empty ‘’C34’’ leads to more active NLO performance. The TM@C34 (TM =Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) interactions are characterized in terms of several theoretical parameters such as density of states (DOS), molecular electrostatic potentials (MEPs), non-linear optical (NLO) properties and electrophilicity and thermodynamic properties were also performed at B3PW91/6-31G (d) level of theory.

The Myco silver nanoparticles (AgNPs) are synthesized through bio-reduction reaction of silver nitrate by cell-free filtrate of endophytic fungi, which act as both reducing and capping agent. The synthesis of silver nanoparticles (AgNPs) was confirmed through UV-VIS spectroscopy, Fourier Transform Infrared (FTIR), Transmission Electron Microscope (TEM), Scanning Electron Microscope (SEM). Energy Dispersive spectroscopy (EDAX) was used to study the structure, morphology, shape, and composition of synthesized nanoparticles. The efficacy of the silver nanoparticles (AgNPs) was tested against the pathogenic bacterial strains such as K. pneumonia, A. Baumannii, P. mirabilis, S. Typhimurium, P. aeruginosa and E. Coli. The myco silver nano particles treatment significantly reduced the growth of all the bacterial species tested in this study. The results suggested that myco nanoparticles can be utilized as an alternative to antibiotics or to break antimicrobial resistance.