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1.
Comparative molecular similarity indices analysis (CoMSIA), a three-dimensional quantitative structure activity relationship (3D QSAR) paradigm, was used to examine the correlations between the calculated physicochemical properties and the in vitro activities (3'-processing and 3'-strand transfer inhibition) of a series of human immunodeficiency virus type 1 (HIV-1) integrase inhibitors. The training set consisted of 34 molecules from five structurally diverse classes: salicylpyrazolinones, dioxepinones, coumarins, quinones, and benzoic hydrazides. The data set was aligned using extrema of molecular electrostatic potentials (MEPs). The predictive ability of the resultant model was evaluated using a test set comprised of 7 molecules belonging to a different structural class of thiazepinediones. A CoMSIA model using an MEP-based alignment showed considerable internal as well external predictive ability (r2(cv) = 0.821, r2(pred) = 0.608 for 3'-processing; and r2(cv) = 0.759, r2(pred.) = 0.660 for 3'-strand transfer). 相似文献
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A series of novel monoazo disperse dyes derived from the coupling of diazotized 2-aminobenzo[b]thiophene derivatives with N-arylmaleimides is described. The monoazo disperse dyes applied to nylon fabric and their dyeing performance has been assessed. These dyes have been found to give light yellow to reddish pink color shades with very good depth and levelness on nylon fabric. The dyed fabric shows moderate light fastness and excellent washing, rubbing, perspiration, and sublimation fastness. The percentage dyebath exhaustion on nylon fabric has been found to be good and acceptable. 相似文献
4.
The generation of two idler waves inside a high birefringent (HiBi) optical fiber through three four-wave mixing (FWM) processes is studied theoretically. The coupled-equations for the field amplitudes are derived and analytically solved, in the co-polarized and orthogonal polarization schemes. The obtained solutions take into account the delayed Raman response of the medium. The polarization sensitivity of the generation of the idler waves is analyzed. Results show that the stimulated Raman scattering does not change the efficiency of the idler wave generation in the co-polarized scheme, whereas in the orthogonal polarization scheme that nonlinear process decreases the efficiency of the four-wave mixing processes. Results also show that this set of multiple four-wave mixing processes is physically quite different from the typical single or dual pump four-wave mixing configurations. Findings show that the power transfer from the pumps to the idler fields can lead to a monotonous growth, or a periodic evolution of the sidebands along the fiber. Results show that the process efficiency varies greatly with the angle between the two pump polarizations. 相似文献
5.
In this Note we obtain existence and uniqueness results for the Helmholtz equation in the half-space with an impedance or Robin boundary condition. Basically, we follow the procedure we have already used in the bi-dimensional case (the half-plane). Thus, we compute the associated Green's function with the help of a double Fourier transform and we analyze its far field in order to obtain radiation conditions that allow us to prove the uniqueness of an outgoing solution. Again, these radiation conditions are somewhat unusual due to the appearance of a surface wave guided by the boundary. An integral representation of the solution is presented by means of the Green's function and the boundary data. To cite this article: M. Durán et al., C. R. Acad. Sci. Paris, Ser. I 341 (2005). 相似文献
6.
We demonstrate that the temporal peak generated by specific electromagnetic pulses may arrive at different positions simultaneously in an absorbing waveguide. The effect can be used for triggering several devices all at once at unknown distances from the sender or generally to transmit information so that it arrives at the same time to receivers at different, unknown locations. This simultaneity cannot be realized by the standard transmission methods. 相似文献
7.
Rafael de la Madrid Gaston Garcia-Calderon Juan Gonzalo Muga 《Czechoslovak Journal of Physics》2005,55(9):1141-1150
The goal of this contribution is to discuss various resonance expansions that have been proposed in the literature.
Presented at the 3rd International Workshop “Pseudo-Hermitian Hamiltonians in Quantum Physics”, Istanbul, Turkey, June 20–22,
2005. 相似文献
8.
Ravinder Guje Prathapuram Shrujana Naveen Kumar Veldurthi Ravi Gundeboina Nageshwar Rao Kappera Vithal Muga 《Chemical Papers》2015,69(2):269-278
Ag+- and Sn2+-substituted KSbTeO6 were prepared by a facile ion-exchange method at ambient temperature. All the samples were characterised by scanning electron microscopy, energy-dispersive spectra, thermogravimetric analysis, powder X-ray diffraction, Raman spectra and UV-VIS diffuse reflectance spectra. Both Sn2+- and Ag+-substituted KSbTeO6 were crystallised in a cubic lattice with the \(Fd\bar 3m\) space group. The band-gap energy of all the samples was deduced from their UV-VIS diffuse reflectance spectral profiles. The visible light-induced photocatalytic oxidation of the methylene blue (MB) dye was examined in the presence of all the as-prepared materials. The Ag+- and Sn2+-substituted KSbTeO6 exhibited a higher photocatalytic activity than the parent KSbTeO6 in degradation of the MB dye under visible light irradiation. 相似文献
9.
The57Fe Mössbauer spectrum recorded from the material of composition Fe0.25NbTiP3O12 shows the presence of Fe2+ in a distribution of approximately octahedral type I sites within the channels of the NbTiP3O12 structure. A comparison of the results with those recorded from the material Fe0.33NbTiP3O12 demonstrates the existence of an upper limit to the occupation by the Fe2+ species of the type I sites. Lattice parameter measurements and57Fe Mössbauer spectroscopy show that treatment of Fe0.25NbTiP3O12 in air induces the migration of the incorporated iron from the channels to form macroscopic -Fe2O3. 相似文献
10.
Sreenu Kurra Perala Venkataswamy Gundeboina Ravi Chandhiri Sudhakar Reddy Boggu Jaganmohan Reddy Muga Vithal 《无机化学与普通化学杂志》2019,645(5):529-536
Perovskite type oxides, sodium bismuth titanate (Na0.5Bi0.5TiO3), and Ag+, Cu2+, and Sn2+ doped Na0.5Bi0.5TiO3 were prepared by pechini and ion exchange methods, respectively. Photocatalytic activities of these catalysts were tested by decomposition of methylene blue (MB) under visible light irradiation. Results showed that the photocatalytic activity of metal ion doped Na0.5Bi0.5TiO3 was higher than undoped Na0.5Bi0.5TiO3. Relatively high photocatalytic performance of Ag+‐doped Na0.5Bi0.5TiO3 is mainly ascribed to the efficient separation of electron‐hole (e–, h+) pairs, lower bandgap energy and the creation of active hydroxyl radicals ( ? OH). Further, the Ag+‐doped Na0.5Bi0.5TiO3 catalyst showed good reusability up to four cycles. A possible mechanism for the enhanced photocatalytic performance was proposed. The synthesized photocatalysts were characterized by XRD, SEM, EDS, XPS, FT‐IR, and UV/Vis DRS techniques. 相似文献