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排序方式: 共有544条查询结果,搜索用时 15 毫秒
1.
The ambient framed bordism class of the connecting manifold of two consecutive critical points of a Morse-Smale function is estimated by means of a certain Hopf invariant. Applications include new examples of non-smoothable Poincaré duality spaces as well as an extension of the Morse complex. 相似文献
2.
Pop D Winter B Freyer W Widdra W Hertel IV 《The journal of physical chemistry. B》2005,109(16):7826-7833
Photoemission measurements were performed on a series of stepwise benzoannelated zinc porphyrazine molecules in thin films. The electronic structure of tert-butyl-substituted zinc tetraazaporphyrin, phthalocyanine, and naphthalocyanine is investigated using mainly EUV synchrotron radiation. A detailed analysis of the zinc satellites in the spectra of the valence region is performed in an attempt to infer the effect of ligand size extension on the metal-ligand interactions. No differences in the character of the bond between zinc and ligand were detected as a function of ligand size. The results are compared with those for the respective metal-free and copper-containing molecules. 相似文献
3.
In order to find support for the validity of the hypothesis proposed by one of us regarding the different natures of the bonds in the four successive complexes formed between Ag+ and thiourea, the corresponding enthalpies are verified by direct calorimetry.Furthermore, because the influence of substituent groups on the nitrogen atoms may help to characterize the donor atom. the calorimetric enthalpies and potentiometric free energies of complexation between Ag+ and N-methylthiourea, N,N′- dimethylthiourea and N,N′-diethylthiourea have also been determined at 25°C, in aqueous medium of ionic strength μ = 0.5 M KNO3. 相似文献
4.
Emil Pop Marcus E. Brewster J. J. Kaminski Nicholas Bodor 《International journal of quantum chemistry》1989,35(2):315-324
9-Amino-1,2,3,4-tetrahydroacridine (THA ), a potent cholinesterase inhibitor, was recently used in the treatment of Alzheimer's disease. On attempting to prepare a dihydropyridine ? pyridinium salt-based redox chemical delivery system (CDS ) to enhance brain delivery of THA , several of the practical synthetic challenges were examined by using a theoretical MO approach. The structures, reactivities and stability of THA , derivatives of THA and a model compound, 4-aminopyridine, a simple dibasic heterocyclic amine, were studied in the framework of the AM -1 approximation. The study included the possible protonated forms of THA and 4-aminopyridine. The calculated heats of formation showed that ring nitrogen protonated forms are more stable for both THA and 4-aminopyridine. The calculated heats of formation showed that ring nitrogen protonated forms are more stable for both THA and 4-aminopyridine, consistent with experimental results. Electron delocalization is responsible for the remarkable stability of these molecules and for the observed lack of reactivity of the amino group, both in the basic and protonated forms. The site of N-alkylation of the 9-nicotinamide derivative of THA (an intermediate in the synthesis of THA -CDS ) is controlled by electronic, thermodynamic, and steric factors. 相似文献
5.
Pop IS Pop V Cobzac S Sarbu C 《Journal of chemical information and computer sciences》2000,40(1):91-98
Weighted least-squares spline functions are discussed and applied for calibration processes in analytical chemistry. Different weighting techniques are also considered, and for the evaluation of the results some quality coefficients are proposed. Depending upon the structure of the data, some weighting procedures may improve the results dramatically. Considering the results obtained in the case of TLC densitometry, it seems that nonlinear weighting procedures based upon the distance to the function are the best ones, with a plus for the y-distance type. It is difficult to give general rules regarding the optimal parameters of the weighted calibration splines-function order (m), number (N) and distribution of knots, and weighting technique. These depend upon the structure of the data. However, higher order splines are not recommended since the result might become extremely unstable. The example used to illustrate the performances of the procedures discussed here involved only a single independent variable. The method is general and extends practically to any number of variables, thus resulting in a multivariate approach. 相似文献
6.
Wu G Cai ZW Bednarz MS Kocy OR Gavai AV Godfrey JD Washburn WN Poss MA Sher PM 《Journal of combinatorial chemistry》2005,7(1):99-108
Benzylic and allylic organozinc and Grignard reagents have been added to resin-bound imines to provide alpha-branched secondary amines. Many functional groups, including electrophilic groups, were compatible with this methodology. Three modules--a resin-bound primary amine, an aromatic aldehyde, and the organometallic--were independently varied to produce a combinatorial library of alpha-branched secondary amines designed as beta-3 adrenergic receptor agonists. 相似文献
7.
The aim of this Letter is to show that, the Nusselt number sign might be changed without changing of heat transfer direction at the wall of channels, even for flows without viscous dissipation. 相似文献
8.
Laura Pop Pierrik Lassalas László Csaba Bencze Monica Ioana Toşa Botond Nagy Florin Dan Irimie Christophe Hoarau 《Tetrahedron: Asymmetry》2012,23(6-7):474-481
Stereoselective preparative enzymatic acylation and hydrolysis/methanolysis of various C-substituted rac-thiazol-2-yl-methanols were achieved for the preparation of enantiopure or enantiomerically enriched, naturally occurring 2-hydroxymethylthiazoles. The absolute configurations of the resulting secondary alcohols were determined by a detailed 1H NMR study of Mosher’s derivatives. 相似文献
9.
Wael M. Badawy Octavian G. Duliu Marina V. Frontasyeva Hussein El Samman Arnaud Faanhof 《Isotopes in environmental and health studies》2018,54(5):535-547
The activity concentrations of natural 40K, 232Th, and 238U in 89 soil and 84 sediment samples collected over the entire Egyptian Nile River basin including the Nile delta are reported based on the results of epithermal neutron activation analysis. The average activity concentrations of 40K, 232Th, and 238U equal to 15.3?±?6.6, 15.6?±?11.1 and 220?±?31 Bq/kg, respectively, are significantly lower than those reported for the Upper Continental Crust, World Average Sediments as well as World Average Soils, suggesting the presence of a considerable portion of mafic material, most probably originating from the Ethiopian High Plateau. Their average activity concentrations are statistically the same in soil and sediments, indicating that the Nile sediments and soil material are of the same origin. The main goal of this study was not only to estimate the radiological hazards but also to show the influence of sedimentary material transportable by the Blue Nile from the Ethiopian High Plateau. The different hazard indices like the radium equivalent, gamma index, external hazard as well as the internal hazard show a low radiological exposure either on direct contact or if local mud bricks are used in the construction of dwellings. 相似文献
10.