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31.
Kiyokazu Fuke Koji Kaya Takashi Kajiwara Saburo Nagakura 《Journal of Molecular Spectroscopy》1976,63(1):98-107
The electronic absorption spectra of perylene crystals in the α- and β-forms were measured by the normal incidence reflection method in the spectral region from 20 000 to 60 000 cm?1. From the absorption spectrum polarized perpendicular to [10] axis of the α-form crystal, the bands around 24 000 cm?1 were determined to be polarized along the long molecular axis. Two strong bands with different polarizations were observed around 50 000 cm?1 for each of the α- and β-perylene crystals and were assigned to the transitions to the 1B2u and 1B3u states. The observed polarized absorption spectra as a whole were consistent with the theoretical results by Hummel and Ruedenberg and the reflection method was found to be suitable to the polarized absorption measurement of strong bands of crystals. The observed factor-group splittings were compared with the theoretical values, the oriented gas model being found to be applicable to the β-form crystal. 相似文献
32.
Mössbauer measurement on Fe-Ni and on Fe-Pt in the ordered and disordered states at various temperatures and in a longitudinal external field (Hext = 50 kOe) have been analyzed. Hyperfine field distributions of Fe-Ni Invar alloys indicate that in addition to the ferromagnetic phase a second phase or state exists whose magnetic properties seem to be closely related to those of γ-Fe. No second phase or state was detected in the ordered Fe-Pt, while the situation in disordered Fe-Pt is uncertain. 相似文献
33.
34.
Nakano K Kawata S Yoneda K Fuyuhiro A Yagi T Nasu S Morimoto S Kaizaki S 《Chemical communications (Cambridge, England)》2004,(24):2892-2893
The variable temperature magnetic susceptibility, X-ray crystallography, and IR and Raman spectra of a new dinuclear complex [{Fe(II)(NCBH(3))(4-phpy)}(2) mu-bpypz)(2)] demonstrated the first two-step spin-crossover associated with a 1 : 1 mixture of high-spin pair [HS-HS] and low-spin pair [LS-LS] at the plateau. 相似文献
35.
An efficient method has been developed for the first solid-phase synthesis of HTLV-1 protease inhibitors that contain hydroxyethylamine isostere as a transition-state mimetic. The synthetic procedure was designed to allow the evaluation of stereostructure-activity relationships at the scissile site. All the possible configurations at the hydroxy- and side chain-bearing asymmetric centers of the isostere were constructed by an ester-derived asymmetric aldol reaction. Each inhibitor containing the isostere backbone was synthesized on solid support by using the newly developed succinate ester linker. The configuration at the hydroxy- and side chain-bearing asymmetric center showed remarkable effects on the inhibitory activity; the K(i) value changed with approximately 2 orders of magnitude. The described approach enables an efficient preparation of the inhibitors containing secondary alcohol as a transition-state mimetic. 相似文献
36.
S. Nasu T. Takano F. E. Fujita K. Takanashi H. Yasuoka H. Adachi 《Hyperfine Interactions》1986,28(1-4):1071-1074
The atomic arrangements in Fe-C martensite, especially the interstitial carbon positions have been discussed utilizing57Fe Mössbauer spectroscopy and13C and57Fe spin-echo NMR measurements. The experimental result is well explained by the model of two interstices occupancy of carbon in the bct martensite. Especially, the spin-echo spectra by13C nuclei showed that two main lines first appear and clear satellite lines gradually rise during the aging at 323K, suggesting the carbon jumps from the tetrahedral to the octahedral interstices and further movements to form a local ordered arrangement. 相似文献
37.
Tomohiro Hirano Shuhei Masuda Shou Nasu Koichi Ute Tsuneyuki Sato 《Journal of polymer science. Part A, Polymer chemistry》2009,47(4):1192-1203
Radical polymerization of N,N‐dimethylacrylamide (DMAAm) was investigated in the presence of tartrates, such as diethyl L ‐tartrate, diisopropyl L ‐tartrate, and di‐n‐butyl L ‐tartrate, in toluene at low temperatures. Syndiotactic polymers were obtained in the presence of tartrates, whereas isotactic polymers were obtained in the absence of tartrates. The syndiotactic‐specificity increased with increasing amount of tartrates and with decreasing polymerization temperature. NMR analysis suggested that DMAAm and tartrates formed a 1:1 complex through double hydrogen bonding. A mechanism for the syndiotactic‐specific radical polymerization of DMAAm is proposed. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 1192–1203, 2009 相似文献
38.
Tomohiro Hirano Shou Nasu Akihiro Morikami Koichi Ute 《Journal of polymer science. Part A, Polymer chemistry》2009,47(23):6534-6539
Radical polymerization of N‐methylacrylamide (NMAAm), N,N‐dimethylacrylamide (DMAAm), and N‐methyl‐N‐phenylacrylamide (MPhAAm) was investigated in toluene at low temperatures. Atactic, isotactic, and syndiotactic polymers were obtained by the polymerization of NMAAm, DMAAm, and MPhAAm, respectively, indicating that the stereospecificity of the radical polymerization of acrylamide derivatives depended on the N‐substituents of the monomer used. From the viewpoint of monomer structure, the origin of the stereospecificity of radical polymerization of NMAAm derivatives is discussed. © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 47: 6534–6539, 2009 相似文献
39.
Peptides with an N-alkoxy or N-aryloxy amino acid at their N-terminus were synthesized and successfully ligated with a peptide thioester by silver ion activation under a slightly acidic condition without requiring protection of the side chain amino groups. The N-methoxy group was easily cleaved by the SmI2 reduction in CH3OH aq. to obtain the desired peptide with a native peptide bond. This method was successfully applied to the synthesis of the human atrial natriuretic peptide showing the efficiency of the novel ligation. 相似文献
40.
Eri Sano Weihua Li Hitomi Yuki Xinli Liu Tomomi Furihata Kaoru Kobayashi Kan Chiba Saburo Neya Tyuji Hoshino 《Journal of computational chemistry》2010,31(15):2746-2758
Cytochrome P450 (CYP) is deeply involved in the metabolism of chemicals including pharmaceuticals. Therefore, polymorphisms of this enzyme have been widely studied to avoid unfavorable side effects of drugs in chemotherapy. In this work, we performed computational analysis of the mechanism of the decrease in enzymatic activity for three typical polymorphisms in CYP 2C9 species: *2, *3, and *5. Based on the equilibrated structure obtained by molecular dynamics simulation, the volume of the binding pocket and the fluctuation of amino residues responsible for substrate holding were compared between the wild type and the three variants. Further docking simulation was carried out to evaluate the appropriateness of the binding pocket to accommodate substrate chemicals. Every polymorphic variant was suggested to be inferior to the wild type in enzymatic ability from the structural viewpoint. F‐G helices were obviously displaced outward in CYP2C9*2. Expansion of the binding pocket, especially the space near F′ helix, was remarkable in CYP2C9*3. Disappearance of the hydrogen bond between K helix and β4 loop was observed in CYP2C9*5. The reduction of catalytic activity of those variants can be explained from the deformation of the binding pocket and the consequent change in binding mode of substrate chemicals. The computational approach is effective for predicting the enzymatic activity of polymorphic variants of CYP. This prediction will be helpful for advanced drug design because calculations forecast unexpected change in drug efficacy for individuals. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010 相似文献