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111.
Substantial improvement of the self-consistent HMO theory, as recently developed by one of us, is made in the parametrization for heterobonds. The theory is extensively applied to a large scale of heteroconjugated molecules including rather complicated ones which are biologically important. The calculated molecular geometries and the wavelengths of optical absorption spectra are found to be in good agreement with experimental values. Examining the effect of inclusion of the -technique to this theory, we find that the calculated values of molecular geometries, electronic spectra and ionization potentials are little affected for most molecules. Dependences of the absorption wavelength and the adiabatic potential on the molecular geometry are also investigated. 相似文献
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113.
Asymmetric hydrolysis of the acetates of racemic alkynyl alcohols and α-hydroxy esters by Bacillus subtilis var. Niger afforded optically active acetates and alcohols in 7–90% optical purities. The both enantiomers of optically pure mandelie acid were prepared by this microbial method. 相似文献
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Tomoya Ito Koji Suda Takuya Kumamoto Waka Nakanishi Toshiko Watanabe Tsutomu Ishikawa Hiroko Seki Masatoshi Kawahata Kentaro Yamaguchi Yasumitsu Ogura Kazuo T. Suzuki 《Molecular diversity》2010,14(1):131-145
The role of o-bisguanidinobenzenes (BGBs) as new Brønsted base ligands for arsenic and phosphoric acids was examined. In solution state, complexation was evaluated by Job’s plot in 1H NMR experiment, indicating a 1:1 complex formation, whereas in solid state crystalline structures of complexes obtained were addressed by X-ray crystallographic analysis and/or solid state 13C NMR experiment, in which 1:2 complexes between the BGB and the acid components were normally formed. Based on these results, Merrifield and Hypogel® resin-anchored BGBs were designed and prepared as the corresponding polymer-supported host ligands. Evaluation of their coordination ability with metal salts (ZnCl2 and CoCl2) and arsenic acid in aqueous media by ICP-MS showed that the latter Hypogel® resin-anchored BGBs acted as effective immobilized base ligands. 相似文献
117.
Maurizot V Yoshizawa M Kawano M Fujita M 《Dalton transactions (Cambridge, England : 2003)》2006,(23):2750-2756
Coordination self-assembly entities have been demonstrated to be useful and powerful alternatives for the construction of predefined and well-organized architectures. Self-assembled coordination cages, which possess an inner hydrophobic cavity, can be utilized to move substrates closer by encapsulation so enabling their interaction with each other and exhibiting of non-classical physical properties. 相似文献
118.
Fluorescence excitation, multiphoton ionization, and dispersed fluorescence spectra of bare and hydrogen-bonded 2-fluoropyridine with water were measured in a supersonic free jet. For bare 2-fluoropyridine, fluorescence quantum yield decrease in the higher vibronic levels was observed even under collision-free conditions. The inter-system crossing channel was probed experimentally by two color R2PI and found to be negligible. The non-radiative relaxation process of 2-fluoropyridine is mainly governed by the relaxation to the electronic ground state. Electronic spectra of 2-fluoropyridine-(water)(n) (n=1 approximately 3) were also obtained. The hydrogen bond formation with water increases the quantum yield in the higher vibronic levels. Rather low frequency vibrations were observed in the hole burning spectrum of bare 2-fluoropyridine; however, these vibronic bands disappeared with the hydrogen bond formation with water. The appearance of low frequency vibronic bands observed for bare 2-fluoropyridine is ascribed to the existence of closely lying (n,pi) state. 相似文献
119.
A predual of B_σ-spaces is investigated. A predual of a predual of B_σ-spaces is also investigated,which can be used to investigate the boundedness property of the commutators. The relation between Herz spaces and local Morrey spaces is discussed. As an application of the duality results, one obtains the boundedness of the singular integral operators, the Hardy-Littlewood maximal operators and the fractional integral operators, as well as the commutators generated by the bounded mean oscillation(BMO) and the singular integral operators.What is new in this paper is that we do not have to depend on the specific structure of the operators. The results on the boundedness of operators are formulated in terms of B_σ-spaces and B_σ-spaces together with the detailed comparison of the ones in Herz spaces and local Morrey spaces. Another application is the nonsmooth atomic decomposition adapted to B_σ-spaces. 相似文献
120.
Fumihiko Maekawa Okiru Komine Katsushige Sato Tomoyuki Kanamatsu Motoaki Uchimura Kohichi Tanaka Hiroko Ohki-Hamazaki 《BMC neuroscience》2006,7(1):1-13