A theoretical quantum study of the electronic properties of mentoxy dichloro phosphorous (C10H19OPCl2)

Indexación: Scopus.A theoretical quantum study of the organophosphorus compound with formula C10H19OPCl2 (MEPCL2) was carried out. The results of the calculations show excellent agreement between experimental and computed frequencies evaluated at the B3LYP/6-311++G(d,p) level of theory. A study of the electronic properties, such as excitation energies and wavelengths were performed employing the time-dependent DFT (TD-DFT) method. Global a chemical reactivity of MEPCL2 was analyzed through global reactivity descriptors, while its local reactivity was analyzed by mean maps of the electrostatic potential. Also, the orbital energies values suggest that a charge transfer is occurring within the molecule. © 2018 American Physical Society.https://scielo.conicyt.cl/scielo.php?script=sci_arttext&pid=S0717-97072018000103887&lng=en&nrm=iso&tlng=e

Preparation and Characterization of Cerium (III) Doped Captopril Nanoparticles and Study of their Photoluminescence Properties

Indexación: Web of Science. DOAJ.In this research Ce3+ doped Captopril nanoparticles (Ce3+ doped CAP-NP) were prepared by a cold welding process and have been studied. Captopril may be applied in the treatment of hypertension and some types of congestive heart failure and for preventing kidney failure due to high blood pressure and diabetes. CAP-NP was synthesized by a cold welding process. The cerium nitrate was added at a ratio of 10% and the optical properties have been studied by photoluminescence (PL). The synthesized compounds were characterized by Fourier transform infrared spectroscopy. The size of CAP-NP was calculated by X-ray diffraction (XRD). The size of CAP-NP was in the range of 50 nm. Morphology of surface of synthesized nanoparticles was studied by scanning electron microscopy (SEM). Finally the luminescence properties of undoped and doped CAP-NP were compared. PL spectra from undoped CAP-NP show a strong pack in the range of 546 nm after doped cerium ion into the captopril appeared two bands at 680 and 357 nm, which is ascribed to the well-known 5d–4f emission band of the cerium.http://www.degruyter.com/view/j/chem.2016.14.issue-1/chem-2016-0008/chem-2016-0008.xm

PREPARATION, IDENTIFICATION AND BIOLOGICAL PROPERTIES OF NEW FLUORIDE NANOCOMPOUNDS

Indexación: Web of Science; Scopus.Nanoparticles (NPs) of new fluoride (SrF2 and MgF2) nanocompounds were synthesized by the simple chemical method of precipitation in ethanol. Synthesis of the strontium fluoride (SrF2)-magnesium oxide (MgO) nanocomposite was achieved through the ultrasonic method. These prepared nanopowders were characterized through Fourier transform infrared (FT-IR) spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy, Powder X-ray Diffraction (PXRD) and Scanning Electron Microscopy (SEM). FT-IR confirmed the purity of the synthesized fluoride NPs by evaluation of the vibrations, and UV-Visible showed the intense absorption peaks of NPs. PXRD analysis indicated the average of particle size, and SEM demonstrated a nearly spherical morphology of the NPs. The antibacterical properties of the nanopowders on Staphylococcus Aureus, Bacillus Subtilis and E. Aklay bacteria were studied, with the strongest effect by the magnesium fluoride (MgF2) NPs and the SrF2-MgO nanocomposite.http://ref.scielo.org/yfr3f

Cardiac chronotropic hypo-responsiveness and atrial fibrosis in rats chronically treated with lithium

Lithium is a widely used mood-stabilizing agent; however, it causes a variety of cardiovascular side effects including sinus node dysfunction. In this study we explored the potential adverse effects of lithium on cardiac chronotropic responsiveness, atrial tissue histology and gene expression in rats that were chronically treated with therapeutic doses of lithium. Male Wistar albino rats were given lithium chloride (2.5 g/kg) orally for 2 or 3 months. Following treatment, the atria were isolated and spontaneously beating rate and chronotropic responsiveness to β-adrenergic stimulation was evaluated in an organ bath. Development of cardiac fibrosis was examined by histological methods. The expression of atrial Col1a1 (collagen I, alpha 1) and β-arrestin2 was also assessed using quantitative RT-PCR. Treatment with lithium induced a significant hypo-responsiveness to adrenergic stimulation (P < 0.001) and caused fibrosis in the atrial tissue of treated rats. In addition, the expression of atrial Col1a1 mRNA was significantly increased in atrial tissues of lithium-treated animals, while β-arrestin2 mRNA expression did not show a significant difference compared with control animals. Altogether, these findings indicate that cardiac chronotropic hypo responsiveness and associated cardiac fibrosis are side effects of chronic lithium treatment. Moreover, it seems that lithium treatment does not influence β-arrestin2 mRNA expressio

The Pitfalls of Central Clearing in the Presence of Systematic Risk

Through the lens of market participants' objective to minimize counterparty risk, we provide an explanation for the reluctance to clear derivative trades in the absence of a central clearing obligation. We develop a comprehensive understanding of the benefits and potential pitfalls with respect to a single market participant's counterparty risk exposure when moving from a bilateral to a clearing architecture for derivative markets. Previous studies suggest that central clearing is beneficial for single market participants in the presence of a sufficiently large number of clearing members. We show that three elements can render central clearing harmful for a market participant's counterparty risk exposure regardless of the number of its counterparties: 1) correlation across and within derivative classes (i.e., systematic risk), 2) collateralization of derivative claims, and 3) loss sharing among clearing members. Our results have substantial implications for the design of derivatives markets, and highlight that recent central clearing reforms might not incentivize market participants to clear derivatives

Synthesis and Characterization of a New Halomercurate Nanoparticles: Triphenylphosphonium Trichloromercurate (II) [P (C6H5)3H]+[Hgcl3]-

That particles are of less than 100nm in diameter called nano particles (NPS) and there are in the world naturally like volcanic activity. In the present investigation a new mixed halomercurate nano particle compound was synthesised and characterized. Triphenylphosphonium trichloromercorate (II) [P(C6H5)3H]+[HgCl3]- nanoparticle was synthesi -zed by using triphenylphosphonium chloride reaction with HgCl2,in the presence of  trimercaptopropionic acid. This method is a simple and direct method. The product was characterized by spectroscopic and analytical methods such as 31P-NMR, scanning electron microscopy (SEM), infrared spectroscopy (IR) and also size of nanoparticles were calculated by X-ray diffraction (XRD). Average particles size of nano is showed about 89.83 nm Theoretical calculations were applied for the structural optimization of this compound. The structure of compound has been calculated and optimized by the density functional theory (DFT) based method at B3LYP/6-311G levels of theory, using the Gaussian 09 package of programs. Finally, the comparison between theory and experiments are done

Biocidal activity of CuO nanoleaves against AGS cells, S. Aureus, E. Coli, and Micrococcus

In the present work, we carried out the synthesis of copper oxide nanoleaves and evaluate their biocidal activity. The resulting nanoparticles were characterized by X-ray Diffraction, Scanning Electron Microscopy, and Fourier Transform Infrared Spectroscopy. The antibacterial activity of the CuO nanoleaves particles was studied through the minimum inhibitory concentration method employing Staphylococcusaureus, Escherichia coli, and Micrococcus as modelorganisms. The results indicate that a concentration of 0.05 g mL-1 generate an inhibition zone of 20, 17and 12 mm for S. aureus, E. Coli and Micrococcus, respectively. Also, the copper oxide nanoleaves exhibited antitumor activity against human adenocarcinoma cells