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排序方式: 共有1567条查询结果,搜索用时 12 毫秒
1.
Dinesh R. Hussain S. Imran Roseline A. Ameelia Kalaiselvam S. 《Journal of Thermal Analysis and Calorimetry》2021,145(6):2935-2949
Journal of Thermal Analysis and Calorimetry - In this paper, the variation of thermophysical properties such as the thermal conductivity, thermal energy storage capacity, viscosity, and phase... 相似文献
2.
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
3.
Chandrachood Pranav S. Jadhav Amol R. Garud Dinesh R. Deshpande Nirmala R. Puranik Vedavati G. Kashalkar Rajashree V. 《Research on Chemical Intermediates》2020,46(12):5219-5230
Research on Chemical Intermediates - A series of quinoxaline derivatives were efficiently synthesized by convenient and simple procedure in excellent yields using 1 wt.% of titanium silicate (TS-1)... 相似文献
4.
Several new families of c‐Bhaskar Rao designs with block size 4 are constructed. The necessary conditions for the existence of a c‐BRD (υ,4,λ) are that: (1)λmin=?λ/3 ≤ c ≤ λ and (2a) c≡λ (mod 2), if υ > 4 or (2b) c≡ λ (mod 4), if υ = 4 or (2c) c≠ λ ? 2, if υ = 5. It is proved that these conditions are necessary, and are sufficient for most pairs of c and λ; in particular, they are sufficient whenever λ?c ≠ 2 for c > 0 and whenever c ? λmin≠ 2 for c < 0. For c < 0, the necessary conditions are sufficient for υ> 101; for the classic Bhaskar Rao designs, i.e., c = 0, we show the necessary conditions are sufficient with the possible exception of 0‐BRD (υ,4,2)'s for υ≡ 4 (mod 6). © 2002 Wiley Periodicals, Inc. J Combin Designs 10: 361–386, 2002; Published online in Wiley InterScience ( www.interscience.wiley.com ). DOI 10.1002/jcd.10009 相似文献
5.
Morey Timothy E. Varshney Manoj Flint Jason A. Seubert Christoph N. Smith W. Brit Bjoraker David G. Shah Dinesh O. Dennis Donn M. 《Journal of nanoparticle research》2004,6(2):159-170
Background: Although microemulsion-based nanoparticles (MEs) may be useful for drug delivery or scavenging, these benefits must be balanced against potential nanotoxicological effects in biological tissue (bio-nano interface). We investigated the actions of assembled MEs and their individual components at the bio-nano interface of thrombosis and hemolysis in human blood.
Methods: Oil-in-water MEs were synthesized using ethylbutyrate, sodium caprylate, and pluronic F-68 (ME4) or F-127 (ME6) in 0.9% NaClw/v. The effects of MEs or components on thrombosis were determined using thrombo-elastography, platelet contractile force, clot elastic modulus, and platelet counting. For hemolysis, ME or components were incubated with erythrocytes, centrifuged, and washed for measurement of free hemoglobin by spectroscopy.
Results and conclusions: The mean particle diameters (polydispersity index) for ME6 and ME4 were 23.6 ± 2.5 nm (0.362) and 14.0 ± 1.0 nm (0.008), respectively. MEs (0, 0.03, 0.3, 3 mM) markedly reduced the thromboelastograph maximal amplitude in a concentration-dependent manner (49.0 ± 4.2, 39.0 ± 5.6, 15.0 ± 8.7, 3.8 ± 1.3 mm, respectively), an effect highly correlated (r2 = 0.94) with similar changes caused by pluronic surfactants (48.7 ± 10.9, 30.7 ± 15.8, 20.0 ± 11.3, 2.0 ± 0.5) alone. Neither oil nor sodium caprylate alone affected the thromboelastograph. The clot contractile force was reduced by ME (27.3 ± 11.1–6.7 ± 3.4 kdynes/cm2, P = 0.02, n = 5) whereas the platelet population not affected (175 ± 28–182 ± 23 106/ml, P = 0.12, n = 6). This data suggests that MEs reduced platelet activity due to associated pluronic surfactants, but caused minimal changes in protein function necessary for coagulation. Although pharmacological concentrations of sodium caprylate caused hemolysis (EC50 = 213 mM), MEs and pluronic surfactants did not disrupt erythrocytes. Knowledge of nanoparticle activity and potential associated nanotoxicity at this bio-nano interface enables rational ME design for in vivo applications. 相似文献
6.
Raviraj M Kulkarni Dinesh C Bilehal Sharanappa T Nandibewoor 《Analytical sciences》2004,20(4):743-747
The kinetics of oxidation of isoniazid in acidic medium was studied spectrophotometrically. The reaction between QDC and isoniazid in acid medium exhibits (4:1) stoichiometry (QDC:isoniazid). The reaction showed first order kinetics in quinolinium dichromate (QDC) concentration and an order of less than unity in isoniazid (INH) and acid concentrations. The oxidation reaction proceeds via a protonated QDC species, which forms a complex with isoniazid. The latter decomposes in a slow step to give a free radical derived from isoniazid and an intermediate chromium(V), which is followed, by subsequent fast steps to give the products. The reaction constants involved in the mechanism are evaluated. Isoniazid was analyzed by kinetic methods in pure and pharmaceutical formulations. 相似文献
7.
The object of the present investigation is to introduce a new trigonometric method of summation which is both regular and
Fourier effective and determine its status with reference to other methods of summation (see §2-§4) and also give an application
of this method to determine the degree of approximation in a new Banach space of functions conceived as a generalized Holder
metric (see §5). 相似文献
8.
Dinesh Topwal U. Manju Sugata Ray S. Raj D. D. Sarma S. R. Krishnakumar M. Bertolo S. La Rosa G. Cautero 《Journal of Chemical Sciences》2006,118(1):87-92
Disordered Sr2FeMoO6 shows a drastic reduction in saturation magnetization compared to highly ordered samples, moreover magnetization as a function
of the temperature for different disordered samples shows qualitatively different behaviours. We investigate the origin of
such diversity by performing spatially resolved photoemission spectroscopy on various disordered samples. Our results establish
that extensive electronic inhomogeneity, arising most probably from an underlying chemical inhomogeneity in disordered samples, is
responsible for the observed magnetic inhomogeneity. It is further pointed out that these inhomogeneities are connected with
composition fluctuations of the type Sr2Fe1+x
Mo1-x
O6 with Fe-rich (x > 0) and Mo-rich (x < 0) regions.
Dedicated to Prof J Gopalakrishnan on his 62nd birthday. 相似文献
9.
C.P. Paul P. Ganesh S.K. Mishra P. Bhargava J. Negi A.K. Nath 《Optics & Laser Technology》2007,39(4):800-805
This paper presents an investigation of laser rapid manufacturing (LRM) for Inconel-625 components. LRM is an upcoming rapid manufacturing technology, it is similar to laser cladding at process level with different end applications. In general, laser-cladding technique is used to deposit materials on the substrate either to improve the surface properties or to refurbish the worn out parts, while LRM is capable of near-net shaping the components by layer-by-layer deposition of the material directly from CAD model. In the present study, a high-power continuous wave (CW) CO2 laser system, integrated with a co-axial powder-feeding system and a three-axis workstation were used. The effect of processing parameters during LRM of Inconel-625 was studied and the optimum set of parameters for the maximum deposition rate was established employing Orthogonal L9 array of Taguchi technique. Results indicated that the powder feed rate and the scan speed contributed about 56% and 26%, respectively to the deposition rate, while the influence of laser power was limited to 10% only. Fabricated components were subjected to non-destructive testing (like—ultrasonic testing, dye-penetrant testing), tensile testing, impact testing, metallographic examinations and micro-hardness measurement. The test results revealed defect-free material deposition with improved mechanical strength without sacrificing the ductility. 相似文献
10.
A transverse flow, transverse discharge cw CO2 laser in which de discharge is sustained by employing high repetition rate high voltage pulses has been developed. Pulser
sustained discharge through electrodes of innovative design provided uniform excitation at electrical input power densities
more than 10 W/cc. Laser output power more than 2.5 kW was obtained in a laser gas mixture consisting of 0.5 mbar of CO2, 16 mbar of N2 and 38.5 mbar of He. Design details and operational characteristics of this laser are presented. 相似文献