Complexes of nicotinic and isonicotinic acids and their deuterated analogues with pyridine, 4-Me pyridine and N Me imidazole have been examined by IR spectroscopy. Strong hydrogen bonding between an O atom of the acid and the N atom of the base with the H atom lying closer to the O atom, is present in all systems. 相似文献
A fundamental study was made on the reduction of calcium phosphate by carbon. The mechanism of reduction was presented on applying different additions. Both silica and alumina increased the extent of reduction but with variable rates. The activation energies were calculated on the basis of first-order reactions. The phases formed during reduction were investigated by X-ray analysis. 相似文献
Rate constants for the reaction of superoxide O-2 with various substrates were obtained through stationary electrode polarography theory and technique. In solvent acetonitrile, the substrate and the rate constants of the reaction O-2 + AH-k2Product, are, AH = isopropanol (k2 < 0.01 M-1 s-1); ethanol (k2 = 1.42 × 102 M-1 s-1); methanol (k2 = 1.1 × 107 M-1 s-1), H2O (k2 = 1.0 × 105 M-1 s-1). In MeCN, O-2 was found to be rather unreactive towards glucose and acetone but it reacts with fructose and sucrose catalytically. However, in DMF2, O-2reacts with glucose and fructose with k2 order of 105 M-1 s-1. The mechanism of the reaction of O-2 with the substrates (AH) is proposed as O-3 + AH k2O, AHk2k-1 k [O2H + AH]-, k-2O2H + A- with k1 = 109 M-1 s-1 and k-1 = 108 -109 s-1. With these values of k-1 and k1, k k2(obs). The reversible E1/2 for O2 + e O-2 in various solvents: MeCN, acetone, isopropanol, methanol, H2O were obtained either directly from the reversible voltammogram or from experimental voltammograms and the rate constants obtained (as above) using stationary electrode polargraphy theory; E1/2 being -0.82 (MeCN),-0.85 (acetone),-0.72 (isopropanol);-0.66 (MeOH),-0.56 (H2O) vs SCE. 相似文献
Journal of Analytical Chemistry - A reliable, easy, and reproducible method was developed for the quantification of λ-cyhalothrin and malathion residues in desert locust. For the extraction, a... 相似文献
Fluid atomic behavior is an important factor for industrial applications. Computer simulations based on simple models predict Poiseuille flow for these atomic structures with the presence of external force. In this work, we describe the dynamical properties of Ar and O2 flows with precise atomic arrangement via dissipative particle dynamics (DPD) and molecular dynamics (MD) simulation approaches. In these methods, each model is represented by using Large-scale Atomic/Molecular Massively Parallel Simulator package. Simulation results show that maximum rate for velocity of Ar flow in platinum and copper microchannels is 0.100 (unit less)/0.091 Å ps?1 and 0.121 (unit less)/0.105 Å ps?1 by using DPD/MD approach. This atomic parameter changes to 0.111 (unit less)/0.102 Å ps?1 and 0.125 (unit less)/0.108 Å ps?1 for O2 fluid with mentioned approaches. By decreasing the microchannel size, the maximum rate of velocity reaches to 0.101 (unit less)/0.099 Å ps?1 and maximum temperature rate decreases to 485 (unit less)/440 K with DPD/MD approaches. These calculated parameters can be used in industrial application designing for some processes such as heat transfer in structures. It was seen that the developed DPD approach was able to simulate the fluid flow and heat transfer of various types of fluids at micro- and nanoscales with suitable accuracy versus MD.
A series of nine novel 1,2,4-triazole based compounds were synthesized through a multistep reaction pathway and their structures were scrutinized by using spectral methods such as FTIR, LC-MS, 1H NMR, and 13C NMR. The synthesized derivatives were screened for inhibitory activity against the mushroom tyrosinase and we found that all the synthesized compounds demonstrated decent inhibitory activity against tyrosinase. However, among the series of compounds, N-(4-fluorophenyl)-2-(5-(2-fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-ylthio) acetamide exhibited more prominent activity when accompanied with the standard drug kojic acid. Furthermore, the molecular docking studies identified the interaction profile of all synthesized derivatives at the active site of tyrosinase. Based on these results, N-(4-fluorophenyl)-2-(5-(2-fluorophenyl)-4-(4-fluorophenyl)-4H-1,2,4-triazol-3-ylthio) acetamide could be used as a novel scaffold to design some new drugs against melanogenesis. 相似文献
The interaction of xenon with different proteins in aqueous solution is investigated by 129Xe NMR spectroscopy. Chemical shifts are measured in horse metmyoglobin, hen egg white lysozyme, and horse cytochrome c solutions as a function of xenon concentration. In these systems, xenon is in fast exchange between all possible environments. The results suggest that nonspecific interactions exist between xenon and the protein exteriors and the data are analyzed in term of parameters which characterize the protein surfaces. The experimental data for horse metmyoglobin are interpreted using a model in which xenon forms a 1:1 complex with the protein and the chemical shift of the complexed xenon is reported (Locci et al., Keystone Symposia “Frontiers of NMR in Molecular Biology VI”, Jan. 9–15, 1999, Breckenridge, CO, Abstract E216, p. 53; Locci et al., XeMAT 2000 “Optical Polarization and Xenon NMR of Materials”, June 28–30, 2000, Sestri Levante, Italy, p. 46). 相似文献
Journal of Experimental and Theoretical Physics - This paper is devoted to construction of generalized ghost dark energy f(G) model by using correspondence scheme for both interacting and... 相似文献