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251.
252.
A comparative study of the thermomagnetic memory effects of J
c in two weakly pinned low T
c superconductors, Ca3Rh4Sn13 (CaRhSn) and Yb3Rh4Sn13 (YbRhSn), is presented. In both the systems, the peak effect (PE) phenomenon appears as an order-disorder transformation
through stepwise amorphization of the flux line lattice (FLL). However, in CaRhSn. we can witness another disorder-driven
transition (Bragg glass (BG) to a vortex glass (VG) in a distinct manner as in a single crystal of high T
c YBa2Cu3O7-δ for H‖c. 相似文献
253.
Densities ρ and ultrasonic speeds u of the binary mixtures of tetrahydrofuran (THF) with 1-butanol and tert-butanol, at 30°C, over the entire composition range
were measured. From these data isentropic compressibility, K
s, intermolecular free length L
f, relative association R
A, acoustic impedance Z, molar sound speed R
m, deviations in isentropic compressibility ΔK
s, and excess volume V
E were calculated. The variation of these parameters with composition of the mixture helps us in understanding the nature and
extent of interaction between unlike molecules in the mixtures. Further, theoretical values of ultrasonic speed were evaluated
using theories and empirical relations. The relative merits of these theories and relations were discussed. 相似文献
254.
255.
A new copper(II) complex [Cu(HL)(ClO4)](ClO4) (1), where HL is a multidentate Schiff base N,N′-(2-hydroxypropane-1,3-diyl)bis(pyridine-2-aldimine), is prepared, structurally characterized by X-ray crystallography and its spectral and electrochemical properties studied. The complex forms a one-dimensional chain in the solid state structure in which the monomeric Cu(HL) units are linked by the perchlorate ligand. The complex has an axially elongated six coordinate geometry (4+2) with a CuN4O2 core in which the Schiff base ligand displays a tetradentate mode of bonding in the basal plane. The axial ligand is perchlorate with a significantly long Cu–O bond of ca. 2.6 Å. The one-electron paramagnetic complex displays a cyclic voltammetric response for the Cu(II)/Cu(I) couple at 0.01 V versus SCE in MeCN–0.1 M TBAP. The azomethine bond of the Schiff base in 1 on treatment with H2O2 undergoes oxidative conversion to form a bis(picolinato)copper(II) · dihydrate species through the formation of an amido intermediate as evidenced from the solution infrared spectral studies. 相似文献
256.
A. G. C. Nair N. Chakravarty A. Goswami B. K. Srivastava Satya Prakash 《Journal of Radioanalytical and Nuclear Chemistry》1987,109(1):37-43
Using radiochemical and gamma spectrometric technique the branching fractions in the beta decay of117Cd isomers and the internal transition branching of117mIn have been established. The beta branching fraction of117gCd117gIn was obtained as 0.86±0.06 and the value of117mCd117gIn was found to be less than 1%. The internal transitin branching and the isomer cross-section ratio were obtained as 0.31±0.02 and 0.197±0.002, respectively. From the measured isomer cross-section ratio the spin cut-off parameter was evaluated, which agreed with the value reported in the literature. 相似文献
257.
The reaction between two complex species [Ru(BigH)2(H2O)2]3+ and [Cr(SCN)6]3– has been investigated in aqueous medium in the pH range 4.00–6.10, and followed in the 21–40 °C range. Pseudo-first order rate constants were evaluated using the chromium complex in a ten-fold excess. The plot of k
obs
versus pH has a bell shaped profile. From this and other evidence it was concluded that only the [Ru(BigH)2(OH)(H2O)]2+ form of the ruthenium complex is reactive under the experimental conditions, and forms the dinuclear complex [Ru(BigH)2--(SCN)2-Cr(NCS)4]0. The rate constant for the dinuclear complex formation at 31 °C is (2.57 ± 0.05) × 10–3 mol–1 s–1. H
= 60 ± 2 kJ mol–1 and S
= 116 ± 10 J K–1 mol–1. 相似文献
258.
Kaushik Chakravarty Victor G. Antontsev Maksim Khotimchenko Nilesh Gupta Aditya Jagarapu Yogesh Bundey Hypatia Hou Neha Maharao Jyotika Varshney 《Molecules (Basel, Switzerland)》2021,26(7)
The COVID-19 pandemic has reached over 100 million worldwide. Due to the multi-targeted nature of the virus, it is clear that drugs providing anti-COVID-19 effects need to be developed at an accelerated rate, and a combinatorial approach may stand to be more successful than a single drug therapy. Among several targets and pathways that are under investigation, the renin-angiotensin system (RAS) and specifically angiotensin-converting enzyme (ACE), and Ca2+-mediated SARS-CoV-2 cellular entry and replication are noteworthy. A combination of ACE inhibitors and calcium channel blockers (CCBs), a critical line of therapy for pulmonary hypertension, has shown therapeutic relevance in COVID-19 when investigated independently. To that end, we conducted in silico modeling using BIOiSIM, an AI-integrated mechanistic modeling platform by utilizing known preclinical in vitro and in vivo datasets to accurately simulate systemic therapy disposition and site-of-action penetration of the CCBs and ACEi compounds to tissues implicated in COVID-19 pathogenesis. 相似文献
259.
Thermodynamic properties of liquid beryllium difluoride (BeF(2)) are studied using canonical ensemble molecular dynamics simulations of the transferable rigid ion model potential. The negative slope of the locus of points of maximum density in the temperature-pressure plane is mapped out. The excess entropy, computed within the pair correlation approximation, is found to show an anomalous increase with isothermal compression at low temperatures which will lead to diffusional as well as structural anomalies resembling those in water. The anomalous behavior of the entropy is largely connected with the behavior of the Be-F pair correlation function. The internal energy shows a T(35) temperature dependence. The pair correlation entropy shows a T(-25) temperature dependence only at high densities and temperatures. The correlation plots between internal energy and the pair correlation entropy for isothermal compression show the characteristic features expected of network-forming liquids with waterlike anomalies. The tagged particle potential energy distributions are shown to have a multimodal form at low temperatures and densities similar to those seen in other liquids with three-dimensional tetrahedral networks, such as water and silica. 相似文献
260.
To understand the modifications of the hydrogen bond network of water by ionic solutes, power spectra as well as static distributions of the potential energies of tagged solvent molecules and solute ions have been computed from molecular dynamics simulations of aqueous NaCl solutions. The key power spectral features of interest are the presence of high-frequency peaks due to localized vibrational modes, the existence of a multiple time scale or 1/falpha frequency regime characteristic of networked liquids, and the frequency of crossover from 1/falpha type behavior to white noise. Hydrophilic solutes, such as the sodium cation and the chloride anion, are shown to mirror the multiple time scale behavior of the hydrogen bond network fluctuations, unlike hydrophobic solutes which display essentially white noise spectra. While the power spectra associated with tagged H2O molecules are not very sensitive to concentration in the intermediate frequency 1/falpha regime, the crossover to white noise is shifted to lower frequencies on going from pure solvent to aqueous alkali halide solutions. This suggests that new and relatively slow time scales enter the picture, possibly associated with processes such as migration of water molecules from the hydration shell to the bulk or conversion of contact ion pairs into solvent-separated ion pairs which translate into variations in equilibrium transport properties of salt solutions with concentration. For anions, cations, and solvent molecules, the trends in the alpha exponents of the multiple time scale region and the self-diffusivities are found to be strongly correlated. 相似文献