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排序方式: 共有468条查询结果,搜索用时 31 毫秒
111.
S. N. Achary O. D. Jayakumar S. J. Patwe A. B. Shinde P. S. R. Krishna S. K. Kulshreshtha A. K. Tyagi 《Pramana》2008,71(5):941-946
Herein we report the results of detailed crystallographic studies of Ca1−x
Ba
x
Zr4P6O24 compositions from combined Rietveld refinements of powder X-ray and neutron diffraction data. All the studied compositions
crystallize in rhombohedral lattice (space group R-3 No. 148). A continuous solid solution is concluded from the systematic
variation of unit cell parameters. The variation of unit cell parameters with the composition indicates decreasing trend in
a parameter with increasing Ba2+ concentration contrast to an increasing trend in c parameter.
相似文献
112.
113.
Suhanya Parthasarathy Surash Ramanathan Sabariah Ismail Mohd Ilham Adenan Sharif Mahsufi Mansor Vikneswaran Murugaiyah 《Analytical and bioanalytical chemistry》2010,397(5):2023-2030
A new solid phase extraction method for rapid high performance liquid chromatography–UV determination of mitragynine in plasma
has been developed. Optimal separation was achieved with an isocratic mobile phase consisting of acetonitrile–ammonium acetate
buffer, 50 mM at pH 5.0 (50:50, v/v). The method had limits of detection and quantification of 0.025 and 0.050 μg/mL, respectively.
The method was accurate and precise for the quantitative analysis of mitragynine in human and rat plasma with within-day and
between-day accuracies between 84.0 and 109.6%, and their precision values were between 1.7 and 16.8%. Additional advantages
over known methods are related to the solid phase extraction technique for sample preparation which yields a clean chromatogram,
a short total analysis time, requires a smaller amount of plasma samples and has good assay sensitivity for bioanalytical
application. The method was successfully applied in pharmacokinetic and stability studies of mitragynine. In the present study,
mitragynine was found to be fairly stable during storage and sample preparation. The present study showed for the first time
the detailed pharmacokinetic profiles of mitragynine. Following intravenous administration, mitragynine demonstrated a biphasic
elimination from plasma. Oral absorption of the drug was slow, prolonged and was incomplete, with a calculated absolute oral
bioavailability value of 3.03%. The variations observed in previous pharmacokinetic studies after oral administration of mitragynine
could be attributed to its poor bioavailability rather than to the differences in assay method, metabolic saturation or mitragynine
dose. 相似文献
114.
D. Santhosh Kumar K. P. Jayakumar S. Balachandran 《Journal of Physical Organic Chemistry》2010,23(8):783-788
1,2‐Diphenylethyl chloride undergoes solvolysis by SN1 mechanism in aqueous organic solvents. The α‐phenyl group of 1,2‐diphenylethyl chloride enters into conjugation with the developing carbocationic centre. The β‐phenyl group on the other hand was unable to extend its conjugation via neighbouring group participation due to steric inhibition of resonance in the formation of non‐classical carbocation. 1,2‐Diphenylethyl chloride thus behaves similar to 1‐phenylethyl chloride in its solvolysis pattern. The solvolytic rate studies of chloride and methanesulphonate of 1,2‐diphenylethyl alcohol in various aqueous organic solvents show that the dispersion observed in the Winstein–Grunwald plot is not due to a change in leaving group but due to the difference in solvation requirements of aromatic and aliphatic groups. Copyright © 2010 John Wiley & Sons, Ltd. 相似文献
115.
The three-dimensional sponge-like mesoporous material TUD-1 is straightforward to prepare. Its synthesis can readily be modified to introduce metals into the framework of TUD-1, imparting many different catalytic activities. M-TUD-1 catalysts have proven to be very active, unlimited by diffusion and very stable. By combining two metals into one TUD-1 catalyst, synergy between Lewis and Br?nsted acid sites could be induced; incorporation of zeolites similarly gave rise to synergy. In addition to successful applications in redox-, acid- and photo-catalysis TUD-1 proved to be an excellent carrier material for catalysts, enabling new applications. TUD-1 was used as a contrast agent and drug delivery system, indicating that this material is but at the beginning of its potential applications. 相似文献
116.
Targeting ErbB family of receptors is an important therapeutic option, because of its essential role in the broad spectrum of human cancers, including non-small cell lung cancer (NSCLC). Therefore, in the present work, considerable effort has been made to develop an inhibitor against HER family proteins, by combining the use of pharmacophore modelling, docking scoring functions, and ADME property analysis. Initially, a five-point pharmacophore model was developed using known HER family inhibitors. The generated model was then used as a query to screen a total of 468,880 compounds of three databases namely ZINC, ASINEX, and DrugBank. Subsequently, docking analysis was carried out to obtain hit molecules that could inhibit the HER receptors. Further, analysis of GLIDE scores and ADME properties resulted in one hit namely BAS01025917 with higher glide scores, increased CNS involvement, and good pharmaceutically relevant properties than reference ligand, afatinib. Furthermore, the inhibitory activity of the lead compounds was validated by performing molecular dynamic simulations. Of note, BAS01025917 was found to possess scaffolds with a broad spectrum of antitumor activity. We believe that this novel hit molecule can be further exploited for the development of a pan-HER inhibitor with low toxicity and greater potential. 相似文献
117.
118.
In this paper, we derive necessary and sufficient conditions for the nonnegativity of the Moore-Penrose inverse of a Gram
matrix defined in an indefinite inner product space using indefinite matrix multiplication. These conditions include the acuteness
of a pair of closed convex cones. 相似文献
119.
Sajan D Fischer A Joe IH Jayakumar VS 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2006,64(3):580-585
The surface geometry of (RS)-phenylsuccinic acid molecule was studied by analysis of the SERS spectra of aromatic dicarboxylic acid adsorbed on silver colloid surfaces. For a reliable analysis of the SERS spectrum, we also performed density functional theoretical calculations. The SERS spectral features indicated that the RSPSA molecules should bound to the silver as dicarboxylate, with a strongly tilted orientation with respect to the normal to the surface. Such a tilted orientation was presumed to occur by the simultaneous sigma and pi-type coordination of carboxylate groups to silver surface caused by the steric hindrance and electrostatic repulsion between the two carboxylate groups, and thereby RSPSA on silver was easily displaced with aromatic carboxylic acids. A sigma-type coordination therefore seemed to be more important than a pi-type coordination for aromatic carboxylic acid derivatives to assemble on a silver surface. The large enhancement of in-plane bending, out of plane bending and ring breathing modes in the surface-enhanced Raman scattering spectrum indicates that the molecule is adsorbed on the silver surface in a 'at least vertical' configuration, with the ring perpendicular to the silver surface. 相似文献
120.
Reaction of Ti(NMe2)4 with allyl alcohols and primary amines leads to the selective formation of secondary allylic amines. The allyl transfer from the alcohol to the amine occurs with selective allylic transposition. Due to substituent effects in the reactions, we postulate that the reaction occurs through a [2 + 2]/retro-[2 + 2]-cycloaddition mechanism. It was also found that a similar reaction could be accomplished with homoallylic alcohol. In this case, the more complex mechanism leads to the formation of 1-aza-spiro[5.5]undecane. Possible pathways for the homoallylic transfer and cyclization are discussed. 相似文献