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排序方式: 共有190条查询结果,搜索用时 31 毫秒
1.
A. Lashgari S. Ghammamy R. Ramirez-Tagle G. Salgado-Moran 《Journal of Structural Chemistry》2015,56(8):1505-1513
Two new compounds of fluorine: (C2H5)4N[I2F] and (C2H5)4N[Br2F], have been easily synthesized in a nearly quantitative by a direct reaction of (C2H5)4NF, I2 and Br2. The products were isolated and characterized by elemental analysis and spectroscopic methods such as: Fourier transform infrared spectroscopy (FTIR) and ultraviolet-visible spectroscopy (UV-Vis). These compounds have been studied computationally with the Scalar ZORA relativistic level of theory using the ADF program package. The molecular parameters, and vibrational spectra were calculated. The excitation energies were found by timedependent perturbation density functional theory (TD-DFT). Molecule optimization, frequencies and excitation energies were calculated with standard Slatertype-orbital (STO) basis sets with triple-zeta quality double plus polarization functions (TZ2P) for all atoms. The FTIR, UV-Vis spectra and assignment of principal transitions and total density of state (TDOS) were extracted using the GaussSum 2.2 program. The comparison between experimental and calculated values showes that the experimental results correlate well with the predicted data. 相似文献
2.
3.
Compound 1, 2-(4-phenoxyphenylsulfonylmethyl)thiirane, is a potent and selective inhibitor for human gelatinases (J. Am. Chem. Soc. 2000, 122, 6799-6800), enzymes implicated in a number of diseases, including cancer. This compound is showing excellent promise in animal trials in a number of disease models. Large quantities of this compound were necessary for these studies. A convenient four-step synthetic route for compound 1 is described herein. The synthesis is amenable to scale-up to tens of grams and gives an overall yield of 57% for this important compound. 相似文献
4.
Shahriare Ghammamy Monir Rahnama Baghy Wong Wing-Tak Kheiroallah Mehrani Saied Maleki 《Transition Metal Chemistry》2007,32(2):257-261
The complex of propyltriphenylphosphonium bromochromate(VI), PrPh3P[CrO3Br] is easily synthesized in nearly quantitative yield using a direct reaction of chromium(VI) oxide and propyltriphenylphosphonium
bromide. This compound is a versatile reagent for the efficient and selective oxidation of organic substrates, in particular
for alcohols to their corresponding aldehydes or ketones, under mild conditions. This compound was characterized by IR, UV/Visible,
13C-n.m.r. and 1H-n.m.r. techniques. It crystallized in the monoclinic form and its crystal and molecular structure have been determined by
X-ray crystallography. 相似文献
5.
Birck C Cha JY Cross J Schulze-Briese C Meroueh SO Schlegel HB Mobashery S Samama JP 《Journal of the American Chemical Society》2004,126(43):13945-13947
6.
The growth ofBacillus amyloliquefaciens in the aqueous two-phase system, made up of polyethylene glycol, dextran, and water, was investigated. Generally,Bacillus partitions in the dextran phase, but the magnitude of the separation depends largely on the overall composition of polymers
in the phase system. The kinetics of growth ofBacillus amyloliquefaciens was studied in the polyethylene glycol-rich continuous phase, dextran-rich dispersed phase, and in the mixed phase. From
the kinetic data it appears that increasing the overall polymer composition causes the cells to adsorp at the interface. On
the other hand, partition measurements indicate that increasing polymer concentrations make the cell partitioning more one-sided.
This anomaly is explained by studying the interfacial adsorption of cells via dynamic surface tension measurements. 相似文献
7.
Previous studies have established that the extended coordination model of solvation can satisfactorily account for the variation in the transfer enthalpies of solutes in mixed-solvent systems. The model parameter relating to the solute-induced disruption of the solvent structure shows a marked dependence on the nature of the mixed solvent. In the present paper we report the transfer enthalpies of acetonitrile from water to aqueous methanol, ethanol and dimethylsulphoxide (DMSO) systems. Analysis of these in terms of the extended coordination model confirms both the model's ability to account for the experimental data, and the variability of the structural disruption parameter. The solvation parameters recovered from the analyses indicate that the net effect of acetonitrile on the solvent structure is a breaking of solvent-solvent bonds. The extent of bond breaking of the solvent increases from MeOH to EtOH. 相似文献
8.
The electronic and vibrational spectra of tetramethylammonium fluorochromate(VI) have been measured. The observed electronic
transitions correlated simply and directly with those of CrO
4
2−
. The electronic spectrum shows a weak band at about 450 nm and the edge of a very strong, broad band which extends beyond
344 nm. The intervening band has been identified with o oxygen-to-chromium charge transfer. This band exhibits a partially
resolved vibrational progression or vibronic coupling due to excitation of a symmetric stretching mode in the CrO3 group. This vibronic coupling is analyzed completely due to spectral correlation and symmetry of transitions, the Duschinsky
effect, vibronic-spin-orbit coupling, environmental effect, anharmonicity order, vibrational intervals, and electronic rearrangement.
The text was submitted by the authors in English. 相似文献
9.
Ikejiri M Bernardo MM Meroueh SO Brown S Chang M Fridman R Mobashery S 《The Journal of organic chemistry》2005,70(14):5709-5712
[structure: see text] Matrix metalloproteinases (MMPs), of which 26 are known, have been implicated in a number of pathological conditions, including tumor metastasis. We have previously described the first mechanism-based inhibitor for MMPs (J. Am. Chem. Soc. 2000, 122, 6799-6800), which in chemistry mediated by the active site zinc ion selectively and covalently inhibits MMP-2, -3, and -9. Computational analyses indicated that this selectivity in inhibition of MMPs could be improved by design of new variants of the inhibitor class. We report herein the syntheses of methyl 2-(4-{4-[(2-thiiranylpropyl)sulfonyl]phenoxy}phenyl)acetate (3) and 2-(4-{4-[(2-thiiranylpropyl)sulfonyl]phenoxy}phenyl)acetic acid (4), and show that compound 3 serves as a mechanism-based inhibitor exclusively for MMP-2. This molecule should prove useful in delineating the functions of MMP-2 in biological systems. 相似文献
10.
Clyde A. Smith Nuno Tiago Antunes Nichole K. Stewart Marta Toth Malika Kumarasiri Mayland Chang Shahriar Mobashery Sergei B. Vakulenko 《Chemistry & biology》2013,20(9):1107-1115
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