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1.
Russian Journal of Organic Chemistry - A highly efficient green protocol has been proposed for the synthesis of symmetrical S-aryl arenesulfonothioates by irradiation of N-hydroxy arenesulfonamides... 相似文献
2.
Journal of Applied Spectroscopy - The elemental composition of one- and two-rupee coins issued in different years by the Reserve Bank of India (RBI) was investigated using laser-induced breakdown... 相似文献
3.
The serine protease, DegP exhibits proteolytic and chaperone activities, essential for cellular protein quality control and normal cell development in eukaryotes. The P. falciparum DegP is essential for the parasite survival and required to combat the oscillating thermal stress conditions during the infection, protein quality checks and protein homeostasis in the extra-cytoplasmic compartments, thereby establishing it as a potential target for drug development against malaria. Previous studies have shown that diisopropyl fluorophosphate (DFP) and the peptide SPMFKGV inhibit E. coli DegP protease activity. To identify novel potential inhibitors specific to PfDegP allosteric and the catalytic binding sites, we performed a high throughput in silico screening using Malaria Box, Pathogen Box, Maybridge library, ChEMBL library and the library of FDA approved compounds. The screening helped identify five best binders that showed high affinity to PfDegP allosteric (T0873, T2823, T2801, , CD00811) and the catalytic binding site (T0078L, T1524, T2328, BTB11534 and 552691). Further, molecular dynamics simulation analysis revealed RJC02337, BTB11534 as the best hits forming a stable complex. WaterMap and electrostatic complementarity were used to evaluate the novel bio-isosteric chemotypes of RJC02337, that led to the identification of 231 chemotypes that exhibited better binding affinity. Further analysis of the top 5 chemotypes, based on better binding affinity, revealed that the addition of electron donors like nitrogen and sulphur to the side chains of butanoate group are more favoured than the backbone of butanoate group. In a nutshell, the present study helps identify novel, potent and Plasmodium specific inhibitors, using high throughput in silico screening and bio-isosteric replacement, which may be experimentally validated. RJC02337相似文献
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5.
A finite element solution of the Navier-Stokes equations for steady flow under the magnetic effect through a double-branched two-dimensional section of a three-dimensional model of the canine aorta is discussed. The numerical scheme involves transforming the physical co-ordinates to a curvilinear boundary-fitted co-ordinate system. The shear stress at the wall is calculated for a Reynolds number of 1000 with the branch-to-main aortic flow rate ratio as a parameter. The results are compared with earlier works involving experimental data and found to be in reasonable qualitative agreement. The steady flow, shear stress and branch flow under the effect of a magnetic field have been discussed in detail. 相似文献
6.
S. C. Joshi M. P. Singh V. P. Pandey B. S. Rajput 《International Journal of Theoretical Physics》2002,41(6):1107-1125
In four-dimensional N = 4 supersymmetric gauge theory, we obtain an exact metric on the moduli space of quantum vacua and analyze the spectra of BPS states in weak as well as in strong coupling regions. Identifying the hypermultiplet of the dyonic state as a string stretched between D3-brane probe and a 7-brane, we demonstrate that the two hypermultiplets, which become massless at two singularities in supersymmetric theory, correspond to open strings beginning on the D3-brane and ending on the respective 7-brane. 相似文献
7.
Proton induced X-ray emission has been used to measureL-subshell and total ionization cross-sections of Au, Pb and Bi in the energy range of 200–350 keV. The ionization cross-sections have been extracted using the X-ray spectra and other quantities like fluorescence yields, transition probabilities, relative widths and Coster-Krönig fraction etc. involved in the process. The results have been compared with the cross-sections measured before and discussed in the light of known theories regarding the ion-atom collisions. 相似文献
8.
From flash photolysis data of benzil and 2,2′-dichlorobenzil, the role of conformeric triplets in the formation of hydrogen
adduct radicals has been discussed. The planar relaxed triplet absorbing at 470 nm is less efficient in forming a hydrogen
adduct radical as compared to its puckered conformeric partner. Among the hydrogen donors, triethyl amine and isopropanol,
the former is more efficient in converting puckered triplets and less efficient in the case of planar conformers. Absorptions
of radicals and radical anions of 2,2′-dichlorobenzil appear at 355 nm and 460 nm respectively. These are blue-shifted as
compared to those of the parent compound benzil appearing at 370 nm and 540 nm, respectively. This blue-shift has been discussed
in terms of steric hindrance due to ortho-substitution. 相似文献
9.
10.
High quality factor of dynamic structures at micro and nano scale is exploited in various applications of micro electro-mechanical
systems (MEMS) and nano electro-mechanical system. The quality factor of such devices can be very high in vacuum. However,
when vacuum is not desirable or not possible, the tiny structures must vibrate in air or some other gas at pressure levels
that may vary from atmospheric to low vacuum. The interaction of the surrounding fluid with the vibrating structure leads
to dissipation, thus bringing down the quality factor. Depending on the ambient fluid pressure or the gap between the vibrating
and the fixed structure, the fluid motion can range from continuum flow to molecular flow giving a wide range of dissipation.
The relevant fluid flow characteristics are determined by the Knudsen number which is the ratio of the mean free path of the
gas molecule to the characteristic flow length of the device. This number is very small for continuum flow and reasonably
big for molecular flow. In this paper, we study the effect of fluid pressure on the quality factor by carrying out experiments
on a MEMS device that consists of a double gimbaled torsional resonator. Such devices are commonly used in optical cross-connects
and switches. We only vary fluid pressure to make the Knudsen number go through the entire range of continuum flow, slip flow,
transition flow, and molecular flow. We experimentally determine the quality factor of the torsional resonator at different
air pressures ranging from 760 Torr to 0.001 Torr. The variation of this pressure over six orders of magnitude ensures required
rarefaction to range over all flow conditions. Finally, we get the variation of quality factor with pressure. The result indicates
that the quality factor, Q, follows a power law, Q ∝P
–r
, with different values of the exponent r in different flow regimes. In the second part of the paper, we propose the use of effective viscosity for considering velocity
slip conditions in solving Navier–Stokes equation numerically. This concept is validated with analytical results for a simple
case and then compared with the experimental results presented in this paper. The study shows that the effective viscosity
concept can be used effectively even for the molecular regime if the air-gap to length ratio is sufficiently small (h
0/L<0.01). As this ratio increases, the range of validity decreases. 相似文献