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41.
In this paper, we continue the analysis of the image regularity condition (IRC) as introduced in a previous paper where we have proved that IRC implies the existence of generalized Lagrange-John multipliers with first component equal to 1. The term generalized is connected with the fact that the separation (in the image space) is not necessarily linear (when we have classic Lagrange-John multipliers), but it can be also nonlinear. Here, we prove that the IRC guarantees, also in the nondifferentiable case, the fact that 0 is a solution of the first-order homogeneized (linearized) problem obtained by means of the Dini-Hadamard derivatives. 相似文献
42.
Several sophisticated methods to solution of symmetry specified enumeration problems are available in the modern literature.
In this paper we propose a simple technique that allows one to manually compute the exact numbers of fixed-symmetry derivatives
for a given structure either with inclusion or ignoring the substitution patterns. The basic idea of the method suggested
consists in the derivation of Pólya-like cycle indices for the automorphism groups of specially constructed orbit partition
graphs; the expansion of these indices and subsequent simple calculations result in the desired numbers of substituted derivatives
with achiral substituents. Limitations of the new technique (and a method suggested earlier) depend on the relevance of the
orbit partitions for particular subgroups of the point symmetry group. For illustration purposes, the results obtained for
the prismane (D
3h
) and adamantane (T
d
) structures are discussed. In the former case the numbers of substituted derivatives can be found for all subgroups of the
D
3h
group, whereas in the latter case these numbers can be determined for eight out of eleven subgroups of the T
d
point symmetry group.
This work is based on the text of the lecture presented by the authors at the 5th All-Russia Conference on Molecular Modeling
(Moscow, April 2007). The paper deals with the methodology and detailed treatment of applied aspects related to solution of
enumeration problems for substituted derivatives with prescribed symmetry groups. Unlike the known methods of symmetry specified
enumeration, the technique suggested is simple enough and may be regarded as generalization of the Pólya methodology, which
is widely used by chemists.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 2, pp. 227–245, February, 2008. 相似文献
43.
1-Benzopyran-4(4H)-one derivatives have been successfully employed as novel activated alkenes in the Baylis-Hillman coupling with heteroaromatic-aldehydes, nitrobenzaldehydes and isatin-derivatives and the corresponding adducts, derived from pyridine-2-carboxaldehyde, have been transformed into a novel indolizine-fused-chromone framework. 相似文献
44.
We have prepared glucose and cellobiose conjugates at the phenolic 3- and hydroxylic 17-positions of the pure anti-estrogenic compound fulvestrant (ICI 182,780), which has recently been approved in the USA for the treatment of advanced postmenopausal breast cancer. Glycosylation at the 17-position was achieved most effectively using pivaloyl protection of the sugar imidates employed, which we found suppressed the competing transacylation reaction and led to improved yields of the product glycosides. 相似文献
45.
Vladimir B. Arion Alexey A. Nazarov Christian G. Hartinger Gerald Giester Bernhard K. Keppler 《应用有机金属化学》2003,17(9):723-724
For the unsymmetrical title compound, 1‐bromo‐1′‐[(2S)‐N‐(1‐hydroxy‐3‐methylbutane‐2‐yl)]‐ferroceneamide, two independent molecules were found in the asymmetric unit. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
46.
47.
Zh. D. Chaplanova Yu. K. Mikhailovskii V. E. Agabekov V. K. Ol’khovik N. A. Galinovskii E. A. Gracheva 《Journal of Applied Spectroscopy》2007,74(3):333-337
We have studied the spectral properties and morphology of thin films (TVD films) formed by thermal vacuum deposition of 4,4′-bis[(E)-1-(1,3-benzoxazol-2-yl)-2-ethenyl]-1,1′-biphenyl
and its substituted derivatives. We have shown that introducing bulky 2,2′-oxyhexyl substituents into the biphenyl units leads
to a shift of the fluorescence maximum for the TVD films toward shorter wavelengths, a decrease in their photostability, and
aggregation of the films during storage.
__________
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 74, No. 3, pp. 300–303, May–June, 2007. 相似文献
48.
We focus on continuous Markov chains as a model to describe the evolution of credit ratings. In this work it is checked whether a simple, tridiagonal type of generator provides a good approximation to a general one. Three different tridiagonal approximations are proposed and their performance is checked against two generators, corresponding to a volatile and a stable period, respectively. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
49.
FANG Qi LEI Hong CUI Yuezhi HUANG Zhenli XUE Gang & YU Wentao . State Key Laboratory of Crystal Materials Shandong University Jinan China . School of Information Science Engineering Shandong University Jinan China . Department of Chemical Engineering Light Industry College of Shandong Jinan China . Key Laboratory of Biomedical Photonics Ministry of Education Huazhong University of Science Technology Wuhan China 《中国科学B辑(英文版)》2005,48(3)
Organic nonlinear optics (NLO) is also called mo-lecular nonlinear optics. In recent years organic mate-rials have been intensively studied because of their large NLO coefficients and structural diversities[1―3]. Second harmonic generation (SHG) is a bas… 相似文献
50.
Gurkan Hizal Umit Tunca Sermin Aras Humeyra Mert 《Journal of polymer science. Part A, Polymer chemistry》2006,44(1):77-87
Copper‐catalyzed controlled/living radical polymerization (LRP) of styrene (St) was conducted using the silica gel‐supported CuCl2/N,N,N′,N′,N″‐pentamethyldiethylenetriamine (SG‐CuCl2/PMDETA) complex as catalyst at 110 °C in the presence of a definite amount of air. This novel approach is based on in situ generation and regeneration of Cu(I) via electron transfer reaction between phenols and Cu(II). Sodium phenoxide or p‐methoxyphenol was used as a reducing agent of Cu(II) complexes in LRP. The number–average molecular weight, Mn,GPC, increases linearly with monomer conversion and agrees well with the theoretical values up to 85% conversion The molecular weight distribution, Mw/Mn, decreases as the conversion increases and reaches values below 1.2. The catalyst was recovered in aerobic condition and reused in copper‐catalyzed LRP of St. For the second run, the number–average molecular weights increased with monomer conversion and the polydispersities decreased as the polymerization proceeded and reached to the value <1.3 at 81% conversion. The recycled catalyst retained 90% of its original activity in the subsequent polymerization. © 2005 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 77–87, 2006 相似文献