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1.
Thirunavukkarasu K Thirumoorthy K Libuda J Gopinath CS 《The journal of physical chemistry. B》2005,109(27):13272-13282
Nitric oxide (NO) reduction with carbon monoxide (CO) on the Pd(111) surface was studied under isothermal conditions by molecular beam techniques as a function of temperature, NO:CO beam composition, and beam flux. Systematic experiments were performed under transient and steady state conditions. Displacement of adsorbed CO by NO in the transient state of the reaction was observed at temperatures between 375 and 475 K for all the NO:CO compositions studied. NO accumulation occurs on Pd(111) surface under steady state conditions, below 475 K, due to stronger chemisorption of NO. The steady state reaction rates attain a maximum at about 475 K, nearly independent of beam composition. N2 was found to be the major product of the reduction, along with a minor production of N2O. The production of N2 and N2O indicates molecular and dissociative adsorption of NO on Pd(111) at temperatures up to 525 K. Postreaction TPD measurements were performed in order to determine the nitrogen coverage under steady-state conditions. Finally, the results are discussed with respect to the rate-controlling character of the different elementary steps of the reaction system. 相似文献
2.
Sappanimuthu Thirunavukkarasu Kilambi Narasimhan Sundaram Shamundeeswari Susaimanickam Arul Antony 《Research on Chemical Intermediates》2017,43(4):2401-2414
Research on Chemical Intermediates - Herein, we report the synthesis and in vitro antibacterial and antifungal activities for twelve... 相似文献
3.
Thirunavukkarasu Annamalai Neil Dani Bokun Cheng Yuk-Ching Tse-Dinh 《BMC biochemistry》2009,10(1):18-8
Background
Mycobacterium tuberculosis DNA topoisomerase I is an attractive target for discovery of novel TB drugs that act by enhancing the accumulation of the topoisomerase-DNA cleavage product. It shares a common transesterification domain with other type IA DNA topoisomerases. There is, however, no homology between the C-terminal DNA binding domains of Escherichia coli and M. tuberculosis DNA topoisomerase I proteins. 相似文献4.
5.
Interferometry and optical deflection offers the best force sensing accuracy using standard cantilever probes in atomic force
microscopy. Here, we examine the mechanics of cantilever deformation in the bending and contact mode and the optical sensing
principles involved. Under typical conditions, the optical deflection method was found to require displacement measurements
that were a thousand times less accurate in order to sense the same amount of force as compared with interferometry used in
the regular mode. It also allowed better positioning tolerance for the probe beam in order to retain a high level of accuracy
in force sensing. These and other attendant findings serve to provide a clearer outlook for the development of improved accuracy
sensors in atomic force microscopy in the contact and bending mode. 相似文献
6.
Rajamurugan R Selvaganabathy N Kumaravel S Ramamurthy Ch Sujatha V Thirunavukkarasu C 《Natural product research》2012,26(23):2208-2210
Profound research has been done on the medicinal value of Brassica nigra (BN) seeds, and the leaves of the plant have been investigated in this study. The methanol extracts of the leaves were subjected to several in?vitro studies. The antioxidant activity of methanol extract was demonstrated with a wide range of concentration, 10-500?μg?mL(-1), and the antioxidant activity increased with the increase in concentration. Total phenol content was found to be 171.73?±?5.043 gallic acid equivalents and the total flavonoid content 7.45?±?0.0945 quercetin equivalents. Further quantification and identification of the compounds were done by HPTLC and GC-MS analyses. The predominant phenolic compounds determined by HPTLC were gallic acid, followed by quercetin, ferulic acid, caffeic acid and rutin. The free radical quenching property of BN leaf extract suggests the presence of bioactive natural compounds. 相似文献
7.
Hydroxyl-assisted oxidative annulations of alkynes were accomplished with an inexpensive ruthenium(II) complex, delivering fluorescent pyrans via highly site selective as well as chemo- and regioselective C-H/O-H bond functionalizations. 相似文献
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9.
Murthy N. Guddati Senganal Thirunavukkarasu 《Journal of computational physics》2009,228(21):8112-8134
With the goal of minimizing the domain size for molecular dynamics (MD) simulations, we develop a new class of absorbing boundary conditions (ABCs) that mimic the phonon absorption properties of an unbounded exterior. The proposed MD-ABCs are extensions of perfectly matched discrete layers (PMDLs), originally developed as an absorbing boundary condition for continuous wave propagation problems. Called MD-PMDL, this extension carefully targets the absorption of phonons, the high frequency waves, whose propagation properties are completely different from continuous waves. This paper presents the derivation of MD-PMDL for general lattice systems, followed by explicit application to one-dimensional and two-dimensional square lattice systems. The accuracy of MD-PMDL for phonon absorption is proven by analyzing reflection coefficients, and demonstrated through numerical experiments. Unlike existing MD-ABCs, MD-PMDL is local in both space and time and thus more efficient. Based on their favorable properties, it is concluded that MD-PMDL could provide a more effective alternative to existing MD-ABCs. 相似文献
10.
Moorthiamma Sarathy Ganesan Kamatchi Kanmani Raja Sankaranarayanan Murugesan Banoth Karankumar Faheem Faheem Sappanimuthu Thirunavukkarasu Gauri Shetye Rui Ma Scott G. Franzblau Baojie Wan Gurusamy Rajagopal 《Journal of heterocyclic chemistry》2021,58(4):952-968
A series of novel quinoline-proline hybrids ( 11a-g ) and quinoline-proline-1,2,3-triazole hybrids ( 12-14 ) were synthesized by click chemistry based on molecular hybridization concept and were characterized by NMR, mass spectrometry, and elemental analysis. All the titled target compounds were tested for antitubercular activity by MABA and LORA methods by in vitro. Interestingly, two compounds (2R,4S)-1-((2-cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl)-methyl)-4-(4-nitrobenzamido)-N-phenylpyrrolidine-2-carboxamide ( 11b ) and (2R,4S)-1-((2-cyclopropyl-4-(4-fluorophenyl)-quinolin-3-yl)-methyl)-4-(4-fluorobenzamido)-N-phenylpyrrolidine-2-carboxamide ( 11c ) exhibited significant activity against the tested Mycobacterium tuberculosis H37Rv strain. Further, the cytotoxicity ( CC 50 ) profile of the titled compounds against the Vero cell was performed and discussed. A molecular docking study of the hit compounds ( 11b and 11c ) was also performed to find their putative binding interaction with the active site of the target proteins. Finally, in silico ADMET properties were also predicted for all the synthesized molecules to evaluate their drug-likeness behavior. 相似文献