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排序方式: 共有879条查询结果,搜索用时 31 毫秒
31.
Structural study of a lead (II) organic complex – a key precursor in a green recovery route for spent lead‐acid battery paste 下载免费PDF全文
32.
Johnson K. Agbo Ramachandran Gnanasekaran David M. Leitner 《Israel journal of chemistry》2014,54(8-9):1065-1073
Frequency-resolved communication maps provide a coarse-grained, global mapping of energy transport channels in a protein as a function of frequency of modes that carry energy. We illustrate the approach with a study of the homodimeric hemoglobin of Scapharca inaequivalvis, which exhibits cooperativity during ligand binding. We compare energy transport between the two hemes of the unliganded and oxygenated protein, which is mediated by water as well as residues forming a hydrogen-bonding network at the interface between the globules, and lies along the pathway for allosteric transitions observed in time-resolved X-ray studies. Non-equilibrium molecular simulations on energy transport from the heme corroborate the energy transport pathways identified by the communication maps. 相似文献
33.
3D Numerical study of temperature variation for subsonic rarefied gas flow in a microchannel is carried out using an in-house MPI-based parallelized DSMC code. The temperature drop in the microchannel decreases with an increase in the aspect ratio whereas it increases with an increase in the pressure ratio, the cross-aspect ratio (CAR), and the Knudsen number. 3D and 2D simulations results are compared and effect of the CAR and Knudsen number are brought out. Finally, a correlation that predicts the temperature drop is formulated along with a list of conditions that ensures a near isothermal flow. 相似文献
34.
Ramachandran Kasirajan Sivakumar Pandian Suganya Tamilarasan Renganathan Sahadevan 《Korean Journal of Chemical Engineering》2014,31(3):509-513
The lipid content was extracted from the saga seed by superheated condition and soxhlet apparatus. The mixture of hexane, chloroform and methanol was utilized as a mixed solvent for these extraction operations. Different parameters such as different solvent, temperature, mean particle size and solvent flow have been examined. The optimized lipid extraction was achieved as 26.2 wt% by using superheated condition from the saga seed powder at 90 °C for 120min. Then the fatty acids profile of the optimized Adenanthera pavonina oil were analyzed by gas chromatography. Unsaturated fatty acid was high as 83.7% compared with saturated fatty acid barely 15.4% by relative. 相似文献
35.
Nitroarenes as Antitubercular Agents: Stereoelectronic Modulation to Mitigate Mutagenicity 下载免费PDF全文
Dr. Sudhir Landge Dr. Vasanthi Ramachandran Dr. Anupriya Kumar Dr. João Neres Kannan Murugan Dr. Claire Sadler Dr. Mick D. Fellows Vaishali Humnabadkar Dr. Prakash Vachaspati Dr. Anandkumar Raichurkar Sreevalli Sharma Sudha Ravishankar Supreeth Guptha Dr. Vasan K. Sambandamurthy Dr. Tanjore S. Balganesh Dr. Bheemarao G. Ugarkar Dr. V. Balasubramanian Dr. Balachandra S. Bandodkar Dr. Manoranjan Panda 《ChemMedChem》2016,11(3):331-339
Nitroarenes are less preferred in drug discovery due to their potential to be mutagenic. However, several nitroarenes were shown to be promising antitubercular agents with specific modes of action, namely, nitroimidazoles and benzothiazinones. The nitro group in these compounds is activated through different mechanisms, both enzymatic and non‐enzymatic, in mycobacteria prior to binding to the target of interest. From a whole‐cell screening program, we identified a novel lead nitrobenzothiazole (BT) series that acts by inhibition of decaprenylphosphoryl‐β‐d ‐ribose 2′‐epimerase (DprE1) of Mycobacterium tuberculosis (Mtb). The lead was found to be mutagenic to start with. Our efforts to mitigate mutagenicity resulted in the identification of 6‐methyl‐7‐nitro‐5‐(trifluoromethyl)‐1,3‐benzothiazoles (cBTs), a novel class of antitubercular agents that are non‐mutagenic and exhibit an improved safety profile. The methyl group ortho to the nitro group decreases the electron affinity of the series, and is hence responsible for the non‐mutagenic nature of these compounds. Additionally, the co‐crystal structure of cBT in complex with Mtb DprE1 established the mode of binding. This investigation led to a new non‐mutagenic antitubercular agent and demonstrates that the mutagenic nature of nitroarenes can be solved by modulation of stereoelectronic properties. 相似文献
36.
37.
Mingxuan Lu Prabhakar V. Gulgunje Pedro J. Arias-Monje Jeffrey Luo Jyotsna Ramachandran Yudhisthira Sahoo Sandip Agarwal Satish Kumar 《Polymer Engineering and Science》2020,60(9):2143-2151
Bi-component, polyacrylonitrile (PAN)/carbon nanotube (CNT) fibers were processed, at different core-sheath area ratios, by gel spinning. A percolated CNT network at 10 wt% CNT in the sheath enhanced electrical conductivity as compared to the neat PAN fiber, while PAN polymer in the core contributed to the good mechanical properties. Fibers with relatively thin sheath allowed overall CNT loading as low as 3.7 wt% to be made with good electrical conductivity, and PAN stabilization by Joule heating was demonstrated. Such fibers with combined good mechanical properties and electrical conductivity can also potentially be used for electrical heating of fabrics, for making smart textiles, and for electromagnetic interference shielding. 相似文献
38.
Anuj V. Prakash Anwesha ChaudhuryDana Barrasso Rohit Ramachandran 《Chemical Engineering Research and Design》2013
Population Balance Models (PBMs), a class of integro partial differential equations, are utilized for simulating dynamics of numerous particulate systems. PBMs describe the time evolutions and distributions of many particulate processes and their efficient and quick simulation are critical for enhanced process control and optimization, especially for real-time applications. However, their intensive computational resource requirement is largely a prohibitive factor in the utility of PBMs for control and optimization. This paper describes how distributed computing systems may be leveraged to execute PBM-based simulations thus achieving time savings, using MATLAB's Distributed Computing Toolbox. A parallel computing algorithm was developed for a three dimensional and four dimensional population balance model with built-in constructs such as SPMD that ran efficiently on a cluster of two quad-core machines linked via a gigabit ethernet cable. Speedup of 6.2 and 5.7 times were achieved with 8 workers, over an un-parallelized code, for a 3 and 4 dimensional PBM respectively. Evaluations on work efficiency and scalability further affirm the algorithms’ respectable performance on larger clusters despite significant memory transfer overheads. 相似文献
39.
The nature of thermophilic amylolytic enzymes produced by a strain of Aspergillus niger Van Tieghem was influenced by media composition. While glucose, maltose, dextrin and soluble starch induced the production of amyloglucosidase, pectin and sodium polypectate almost exclusively induced the formation of α-amylase. Alkali ions suppressed the formation of amyloglucosidase. NH4NO3, (NH4)2HPO4 and (NH4)2C4H4O6 served as good inorganic nitrogen sources, while casein, groundnut protein and corn steep liquor served to a similar capacity as nitrogen sources from organic material. Deletion of the growth factors pyridoxine-hydrochloride and inositol suppressed enzyme production, while the absence of riboflavin had the opposite effect. 相似文献
40.
Chen S. Kozuch M. Gibbons P.B. Ryan M. Strigkos T. Mowry T.C. Ruwase O. Vlachos E. Falsafi B. Ramachandran V. 《Micro, IEEE》2009,29(1):62-72
Instruction-grain lifeguards monitor executing programs at the granularity of individual instructions to quickly detect bugs and security attacks, but their fine-grain nature incurs high monitoring overheads. This article identifies three common sources of these overheads and proposes three techniques that together constitute a general-purpose hardware acceleration framework for lifeguards. 相似文献