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1.
2.
Cabergoline (CAB) is an ergot alkaloid derivative with dopamine agonist activity. A novel, simple, and rapid stability-indicating high-performance liquid chromatographic (HPLC) method for assay of CAB in tablets has been developed and validated. Chromatography was performed on a 4.6 mm i.d. × 250 mm, 5 μm particle, cyano column with acetonitrile–10 mM phosphoric acid, 35:65 (v/v), containing 0.04% triethylamine, as mobile phase, at a flow rate of 1.0 mL min?1, and UV detection at 280 nm. Response was a linear function of concentration in the range 0.1–4 μg mL?1 (r 2 = 0.9999). The recovery of the method was good (99.45%) and RSD values for intra-day and inter-day precision were 0.24–0.88% and 0.66–1.19%, respectively. The method can be used for quality-control assay of CAB in tablets, for stability studies, and for in vitro dissolution studies. 相似文献
3.
A. Mañanes M. Membrado J. Sañudo A. F. Pacheco L. C. Balbás 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1991,19(4):55-58
An analytic expression for the total energy of metallic clusters composed ofN identical atoms of valencev and with net chargeQ is obtained by means of a variational solution of the Thomas-Fermi-Weizsäcker energy density functional within the spherical jellium model. The minimum energy is given as an expansion in decreasing powers of the cluster radiusR=r s Z 1/3, withZ=vN andr s the radius per electron of the bulk metal. The coefficients are obtained as functions ofr s . Terms of volume (R 3), surface (R 2), curvature (R), constant (R 0), (1/R) and (1/R 2) are clearly separated in the formula, as well as the different contributions (kinetic, coulombic and exchange-correlation) to each of them. The asymptotic values (R→∞) for the work functions,W(r s ), and surface energies σ(r s ), are compared to analogous semiclassical and Kohn-Sham calculations of jellium-like surfaces and to the experimental values. The size dependent behaviour of chemical potentials, μ(R), electron affinities,AF(R), and ionization potentials,IP(R), are easily obtained for any kind of metallic clusters. In particular we discuss the Coulomb and quantum corrections to the coefficients β, δ in the asymptotic formulae:IP?W+β/R andAF?W+δ/R. 相似文献
4.
The surface species resulting in exposing of the ZSM-5 zeolite at elevated temperatures to methanol, deuterated methanol or ethylene have been studied by IR method.The three-step adsorption at 150°, 300°, 420° C or one-step adsorption at 420° C have been carried out in order to prepare the samples for IR. In all cases the most prominent band appeared in the range 1495–1515 cm?1; besides two bands at about 1470 and 1370 cm?1 have been observed. On the basis of Greenler's results and of the shift values of the bands in our spectrum of adsorbed deuterated methanol it was supposed that the band 1495–1515 cm?1 is due to the OCO group from the surface species. Moreover these species would involve both oxygen atoms from the surface of zeolite but not from OH groups of methanol. 相似文献
5.
The dynamics of multiphoton transitions in a two-level spin system excited by transverse microwave and longitudinal RF fields with the frequencies ωmw and ωrf, respectively, is analyzed. The effective time-independent Hamiltonian describing the “dressed” spin states of the “spin + bichromatic field” system is obtained by using the Krylov-Bogoliubov-Mitropolsky averaging method. The direct detection of the time behavior of the spin system by the method of nonstationary nutations makes it possible to identify the multiphoton transitions for resonances ω0 = ωmw + rωrf (ω0 is the central frequency of the EPR line, r = 1, 2), to measure the amplitudes of the effective fields of these transitions, and to determine the features generated by the inhomogeneous broadening of the EPR line. It is shown that the Bloch-Siegert shifts for multiphoton resonances at the inhomogeneous broadening of spectral lines reduce only the nutation amplitude but do not change their frequencies. 相似文献
6.
Abstract α,ω-Tertiary diamines react under high pressure with α,ω-di-iodo compounds to give cyclic or bicyclic bis-quaternary salts in almost quantitative yields. The role of high-pressure-induced changes in conformation of linear intermediates and the viscosity factor are discussed. 相似文献
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A systematically varied series of tetrahedral iridium clusters have been studied using a TDDFT method focusing on their electronic and nonlinear optical properties. The clusters W2Ir2(CO)10(η5-C5H4Me)2 (1), WIr3(μ-dppe)(CO)9(η5-C5H4Me (2), W2Ir2(μ-L)(CO)8(η5-C5H4Me)2(L = dppe 3, dppf 4), Ir4(μ-L)(CO)10(L = dppm 5, dppe 6, Ph2P(CH2)3PPh2 7, Ph2P(CH2)4PPh2 8, (Ph2P)2CHMe 9), Ir4(CO)10(phen)(phen = 1,10-phenanthroline) (10) exhibit the first static hyperpolarizabilities of medium magnitude (β tot ~ 10 × 10?30esu). The origination of β is discussed in terms of the electronic structure calculation and the expanded orbital decomposition scheme. The result suggests the origination of β for all the clusters are mainly d–d electron transitions intra metal skeleton, and d–π* electron transitions from metals to carbonyls. For cluster 5, which contains the ferrocenyl group, the main origination of β involves charge transfer from d orbitals of ferrocene to d orbirals of Ir and W. 相似文献
9.
Gafour M. H. Saïl K. Bassou G. Haouzi A. Maloufi N. 《Journal of Experimental and Theoretical Physics》2020,131(4):548-557
Journal of Experimental and Theoretical Physics - Density functional calculations in periodic boundary conditions (PBCs) were performed to investigate the structural and electronic properties of... 相似文献
10.
Zhitao Cui Wei Du Chengwei Xiao Qiaohong Li Rongjian Sa Chenghua Sun Zuju Ma 《Frontiers of Physics》2020,15(6):63502
MoS2 is a promising candidate for hydrogen evolution reaction (HER), while its active sites are mainly distributed on the edge sites rather than the basal plane sites. Herein, a strategy to overcome the inertness of the MoS2 basal surface and achieve high HER activity by combining single-boron catalyst and compressive strain was reported through density functional theory (DFT) computations. The ab initio molecular dynamics (AIMD) simulation on B@MoS2 suggests high thermodynamic and kinetic stability. We found that the rather strong adsorption of hydrogen by B@MoS2 can be alleviated by stress engineering. The optimal stress of −7% can achieve a nearly zero value of ΔGH (~ −0.084 eV), which is close to that of the ideal Pt–SACs for HER. The novel HER activity is attributed to (i) the B– doping brings the active site to the basal plane of MoS2 and reduces the band-gap, thereby increasing the conductivity; (ii) the compressive stress regulates the number of charge transfer between (H)–(B)–(MoS2), weakening the adsorption energy of hydrogen on B@MoS2. Moreover, we constructed a SiN/B@MoS2 heterojunction, which introduces an 8.6% compressive stress for B@MoS2 and yields an ideal ΔGH. This work provides an effective means to achieve high intrinsic HER activity for MoS2. 相似文献