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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.
Satyanarayana A. V. S. Rao M. Jagannadha Mouli K. Chandra 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(3):1509-1513
Journal of Radioanalytical and Nuclear Chemistry - 相似文献
4.
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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The present paper reports the dislocation unpinning model of acoustic emission (AE) from alkali halide crystals. Equations
are derived for the strain dependence of the transient AE pulse rate, peak value of the AE pulse rate and the total number
of AE pulse emitted. It is found that the AE pulse rate should be maximum for a particular strain of the crystals. The peak
value of the AE pulse rate should depend on the volume and strain rate of the crystals, and also on the pinning time of dislocations.
Since the pinning time of dislocations decreases with increasing strain rate, the AE pulse rate should be weakly dependent
on the strain rate of the crystals. The total number of AE should increase linearly with deformation and then it should attain
a saturation value for the large deformation. By measuring the strain dependence of the AE pulse rate at a fixed strain rate,
the time constantτ
s for surface annihilation of dislocations and the pinning timeτ
p of the dislocations can be determined. A good agreement is found between the theoretical and experimental results related
to the AE from alkali halide crystals. 相似文献
8.
Considering external electric field as well as third- and fourth-order phonon anharmonic interaction terms in the pseudospin-lattice
coupled mode (PLCM) model Hamiltonian for KDP-type ferroelectrics, expressions for field-dependent shift, width, renormalized
soft mode frequency, Curie temperature, dielectric constant and dielectric loss are evaluated. For the calculation, method
of statistical double-time temperature-dependent Green’s function has been used. By fitting model values of physical quantities,
temperature and electric field dependences of soft mode frequency, dielectric constant and loss have been calculated which
compare well with experimental results of Baumgartner [8] and Choi and Lockwood [9]. Both dielectric constant and loss decrease
with electric field. 相似文献
9.
Nanosize aluminum substituted nickel zinc ferrites were prepared through aerosol route and characterized using TEM, XRD, magnetic measurements and Mössbauer spectroscopy. The particle size of as obtained samples was found to be ∼10 nm which increases up to ∼85 nm upon annealing at 1200 °C. The unit cell parameter ‘a’ decreases linearly with concentration of aluminum due to the small ionic radius of aluminum. The saturation magnetization for all the samples after annealing at 1200 °C lies in the range 12.9–72.6 emu/g and decreases linearly with concentration of aluminum. Room temperature Mössbauer spectra of all as obtained samples of ferrite compositions exhibited a broad doublet suggesting super paramagnetic nature. This doublet is further resolved into two doublets and assigned to the surface region and internal region atoms of the particles. The samples annealed at 1200 °C show broad sextets, which were fitted with five sextets, indicating different local environment of both tetrahedrally and octahedrally coordinated Fe cation. 相似文献
10.
C. R. Bector S. Chandra M. K. Bector 《Journal of Optimization Theory and Applications》1989,60(2):243-260
Using a parametric approach, duality is presented for a minimax fractional programming problem that involves several ratios in the objective function.The first author is thankful to Natural Science and Engineering Research Council of Canada for financial support through Grant A-5319, and the authors are thankful to the anonymous referees for useful suggestions. 相似文献