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Kavitha V Sundararajan K Viswanathan KS 《The journal of physical chemistry. A》2005,109(41):9259-9264
Conformations of trimethoxymethylsilane were studied using matrix isolation infrared spectroscopy and ab initio computations. Trimethoxymethylsilane was trapped in both argon and nitrogen matrixes using heated nozzle effusive sources and a supersonic jet source, in an effort to alter the conformational population in the matrix. Ab initio calculations were carried out at the HF and B3LYP level using 6-31++G basis set to support our experimental observations. The frequencies computed at the B3LYP level was found to fit well with our experimental data. A conformer with a C1(g(+/-)g(+/-)t) structure was predicted by our computations to be the ground state conformer. 相似文献
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Journal of Thermal Analysis and Calorimetry - More than a decade, a numerous experimental and theoretical studies of thermophysical properties of nanofluids are conducted to reveal its heat... 相似文献
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Debasish Roy Vinod Kumar Kshitish K. Acharya Kavitha Thirumurugan 《Applied biochemistry and biotechnology》2014,172(1):102-114
Human maltase glucoamylase (MGAM) is a potent molecular target for controlling post prandial glucose surplus in type 2 diabetes. Binding of small molecules from Syzygium sp. with α-glucosidase inhibitory potential in MGAM has been investigated in silico. Our results suggest that myricetin was the most potent inhibitor with high binding affinity for both N- and C-terminals of MGAM. Molecular dynamics revealed that myricetin interacts in its stretched conformation through water-mediated interactions with C-terminal of MGAM and by normal hydrogen bonding with the N-terminal. W1369 of the extended 21 amino acid residue helical loop of C-terminal plays a major role in myricetin binding. Owing to its additional sugar sites, overall binding of small molecules favours C-terminal MGAM. 相似文献
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The layered double hydroxides (LDHs) of Li and Al can be synthesized from the four polymorphs of Al(OH)3, namely gibbsite, bayerite, nordstrandite, and doyleite. The crystal structure of this class of compounds depends on the type of the precursor used due to their topotactic reaction mechanism. While the LDHs derived from gibbsite and bayerite yield different crystal structures, the incorporation of Li into nordstrandite was expected to yield new LDH structures different from those derived from gibbsite and bayerite. The structure of nordstrandite derived LDHs were however identical to that derived from the bayerite counterpart. The absence of symmetry in the interlayer of nordstrandite (C1) makes it unsuitable to accommodate the intercalating anions with different molecular symmetries. To make the interlayer gallery suitable for the anions, the metal hydroxide layers of the nordstrandite translate, transforming nordstrandite to bayerite. The bayerite with site symmetries Oh and C2 stabilizes the anions in the interlayer by hydrogen bonding. The transformation of nordstrandite to bayerite, when soaked in lithium salt solution is, therefore, a manifestation of the intercalating anions. 相似文献
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Amit Deshpande Rahul Jain T. Kavitha Satyanarayana V. Lokam Jaikumar Radhakrishnan 《Random Structures and Algorithms》2005,27(3):358-378
An error‐correcting code is said to be locally decodable if a randomized algorithm can recover any single bit of a message by reading only a small number of symbols of a possibly corrupted encoding of the message. Katz and Trevisan 12 showed that any such code C : {0, 1}n → Σm with a decoding algorithm that makes at most q probes must satisfy m = Ω((n/log |Σ|)q/(q?1)). They assumed that the decoding algorithm is non‐adaptive, and left open the question of proving similar bounds for adaptive decoders. We show m = Ω((n/log |Σ|)q/(q?1)) without assuming that the decoder is nonadaptive. © 2005 Wiley Periodicals, Inc. Random Struct. Alg., 2005 相似文献
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G. Kavitha S. R. C. Vivek A. Govindaraj Chandrabhas Narayana 《Journal of Chemical Sciences》2003,115(5-6):689-694
The paper discusses the design of a low cost Raman spectrometer. Single-walled nanotubes (SWNT) have been studied to demonstrate
the reach of such a system. We observe both the radial-breathing mode (RBM) and the tangential mode from the SWNT. The tube
diameters of the SWNT used in these experiments have been determined using RBM to be predominantly 1.4 and 1.6 nm. These are
consistent with the TEM images taken of the same sample. The new method of producing SWNT using Ni-Y catalyst in electric-arc
discharge method produces nanotubes with very small dispersion in diameter and high yields. The chirality of the SWNT can
be deduced from their radial breathing modes, and it suggests that they are metallic in nature.
Dedicated to Professor C N R Rao on his 70th birthday 相似文献
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Aparna L. Joshi Pratiksha H. Roham Rooth Mhaske Mahadev Jadhav Kavitha Krishnadas Amol Kharat 《Natural product research》2015,29(23):2261-2264
Calotropis procera (family: Asclepiadaceae) contains cardiac glycosides which are cytotoxic to cancer cells. The extracts of C. procera have been reported to be cytotoxic to many cancer cell lines and this is the first report against the human skin melanoma cells (SK-MEL-2). The SK-MEL-2 cells treated with C. procera methanolic extract (CPME) were analysed for growth inhibition and apoptosis. The exposure of phosphatidylserine in apoptotic SK-MEL-2 was analysed by using the Annexin-V FITC flow cytometry method. In CPME-treated SK-MEL-2 cells, 19.6% of apoptotic and 58.3% dead cells were observed. The 15.97% and 15.85% of early apoptotic cells were found at 20 μg/mL of the ouabain and paclitaxel, respectively. Active caspases, nuclear degradation confirmed apoptotic SK-MEL-2 cells in time- and dose-dependent manner. The cell cycle analysis shows that CPME treated cells halt at G2/M phase. Significant cytotoxic activity of CPME against SK-MEL-2 may be attributed to its high cardenolide content. 相似文献
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Nonsteroidal Anti‐inflammatory Drug‐based N‐Allylidene Benzohydrazides and 1‐Acyl‐2‐pyrazolines: Their Synthesis as Potential Cytotoxic Agents In Vitro
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Kavitha Kankanala V. Ranga Reddy Yumnam Priyadarshini Devi Lakshmi Narasu Mangamoori D. Rambabu K. Mukkanti Sarbani Pal 《Journal of heterocyclic chemistry》2015,52(1):105-113
A series of 1‐acyl‐2‐pyrazoline derivatives derived from nonsteroidal anti‐inflammatory drugs was designed as potential anticancer agents. Synthesis of these compounds was carried out via the condensation reaction of chalcones and acid hydrazides under heating. The methodology did not require the use of any costly reagents or catalysts, and the acid hydrazide reactants were readily prepared from mefenamic acid or ibuprofen. A variety of 1‐acyl‐2‐pyrazolines was prepared in good to excellent yields. An N‐allylidene benzohydrazide intermediate was isolated during the reaction optimization study, the structure of which was confirmed unambiguously by X‐ray single crystal data. A range of N‐allylidene benzohydrazides were also prepared in good yields. Some of the compounds synthesized showed promising cytotoxic activities when tested against HCT‐15 human colon cancer cell line in vitro. 相似文献