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81.
Optimisation of Supercritical Carbon Dioxide Systems for Complexation of Naproxen : Beta-Cyclodextrin 总被引:1,自引:0,他引:1
Susana Junco Teresa Casimiro Nuno Ribeiro Manuel Nunes Da Ponte Helena M. Cabral Marques 《Journal of inclusion phenomena and macrocyclic chemistry》2002,44(1-4):69-73
Supercritical carbon dioxide (scCO2)offers several attractive scenarios for thepharmaceutical processing as an alternativeto aqueous and organic solvents. In thiswork naproxen, a widely used non steroidalanti-inflammatory drug with analgesic andanti-inflammatory properties, was chosenas a model drug. Its complexation with cyclodextrinsimproves the rate and extent of dissolutionof the drug, increase its rate of absorption and mayreduce the unpleasant side-effects of the drug.The interest in using this supercritical technologyled us to develop an experimental unit for the useof supercritical CO2 as a processing medium forthe complexation of naproxen with beta cyclodextrin (CD). 相似文献
82.
Conformations of 2-methoxytetrahydropyran as a model for the six-membered ring in aldopyranosides have been calculated by the PCILO method using the algorithm of the conjugated gradient to optimize the geometry. The calculated geometry of the fourteen basic forms of 2-methoxytetrahydropyran was found to be in agreement with the available data obtained by X-ray diffraction of pyranosides. The results indicate differences in the geometry of 2-methoxytetrahydropyran resulting from the change of the axial vs. equatorial position of the methoxyl group. These changes are particularly meaningful in the values of bond angles and they are in agreement with the anomeric and exoanomeric effects. The experimentally found differences in the energies of an axial (4
C
1) and equatorial (1
C
4) conformer, G = 2.9–3.7 kJ/mol, and the dipole moment, = 1.20 ± 0.05 D (1D = 3.33 10–30mAs) agree well with the calculated values E = 3.18 kJ/mol and <> = 1.18 D which, in turn, suggest that the axial conformer is preferred over the equatorial one by a ratio a:e = 78:22. 相似文献
83.
Péter Pulay 《Theoretical chemistry accounts》1979,50(4):299-312
An ab initio Hartree-Fock gradient program is described. It is characterized by (1) efficiency of the gradient evaluation, and (2) capability of handling higher angular momentum (d andf) basis functions. The latter are constructed from shifted Cartesian Gaussian p-type primitives. A satisfactory solution is presented for the problems connected with the neglect of small integrals in a gradient program. Methods for increasing the efficiency of the SCF procedure are discussed. 相似文献
84.
本文是笔者在长期教学实践的基础上,对于化学专业生物化学课程教学内容和教学方法,研究的经济总结。其相关成果曾获陕西师范大学优秀教材一等奖及陕西省教学成果二等奖。 相似文献
85.
二氧化碳和氧气的快速电化学方法联合测定 总被引:4,自引:0,他引:4
根据O2和CO2在二甲亚砜(DMSO)介质中Pt电极上的伏安特性,采用微电极并结构计算机控制的电位调制技术,建立了快速联合测定CO2和O2的调制电位脉冲库仑法和调制电位脉冲电流法,取得了满意的结果。一次测量时间快达40ms。CO2检测范围0 ̄10%(体积百分比);O2检测范围不受限制。通过编程设计特定的调制电位-时间波形,可保持连续检测的长期稳定性。 相似文献
86.
H. Saglam T. Gozler B. Kivcak B. Demirci K. H. C. Baser 《Chemistry of Natural Compounds》2001,37(5):439-441
The chemical composition of the essential oil ofHaplophyllum myrtifoliumBoiss., endemic to Turkey, was examined by GC/MS. Ninety-seven compounds were characterized with linalool (12.8%), -caryophyllene (10.3 %), and methyleugenol (5.9 %) as the main constituents. 相似文献
87.
88.
Guido Kickelbick Dieter Rutzinger Thomas Gallauner 《Monatshefte für Chemie / Chemical Monthly》2002,133(8):1157-1164
Summary. Hexadentate ligands were formed by the reaction of primary dimethylaminoethyl- or methoxyethylamines with formaldehyde. The
resulting N, N′, N″-functionalized hexahydro-1,3,5-triazines contain pending amino or ether functionalities which are able to coordinate to
metals in addition to the ring nitrogen atoms. Both ligands were reacted with CuBr, and novel tricopper clusters were isolated
and characterized by X-ray structure analysis. In these compounds a ring nitrogen atom, the pending amino or ether functionality,
and two bridging bromine atoms coordinate each of the copper atoms.
Received January 22, 2002; accepted (revised) March 22, 2002 相似文献
89.
V. I. Sokol L. V. Baikalova E. S. Domnina M. A. Porai-Koshits 《Russian Chemical Bulletin》1992,41(6):1076-1079
The crystal and molecular structures of 1,1-divinyl-2,2-biimidazolyl (L) were determined by x-ray crystallographic analysis. It was established that the molecule of L has crystallographic symmetry 2 and a cisoid conformation with an angle of rotation of 128° between the imidazole rings. The length of the C2-C2 bond is increased to 1.485(11) Å compared with the length of the analogous bond in unsubstituted 2,2-biimidazolyl (1.423 Å). Localization of the N=C multiple bond is observed [1.297(9) Å]. The other N-C bonds of the ring are almost equalized (1.374 Å) and are close to the standard values for bonds of the C
sp
2-N type in imidazoles. The angle between the plane of the heterocycle and the plane passing through the atoms of the vinyl group amounts to 7°.N. S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, 117907 Moscow. Irkutsk Institute of Organic Chemistry, Siberian Branch, Russian Academy of Sciences, 664033 Irkutsk. Translated fromIzvestiya Akademii Nauk, Seriya Khimicheskaya, No. 6, pp. 1376–1380, June, 1992. 相似文献
90.
The parallel between orbital first and second electric moments and statistical first and second central moments is noted. Three measures of orbital spatial distribution in terms of their moments are proposed, and applied to the LMO's in a series of ten-electron hydrides. Consistent differences between bond and lone pair distributions are found. Using the statistical interpretation, for each LMO an effective solid angle around the central atom is postulated. 相似文献