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81.
Urata S Tsuzuki S Takada A Mikami M Uchimaru T Sekiya A 《Journal of computational chemistry》2004,25(3):447-459
The intermolecular interaction energy curves of CH(3)OCH(3)-CH(2)F(2), CF(3)OCH(3)-CH(2)F(2), CF(3)OCF(3)-CH(2)F(2), CH(3)OCH(3)-CHF(3), CF(3)OCH(3)-CHF(3), and CF(3)OCF(3)-CHF(3) complexes were calculated by the MP2 level ab initio molecular orbital method using the 6-311G** basis set augmented with diffuse polarization functions. We investigate the fluorine substitution effects of both methane and dimethyl ether on intermolecular interactions. In addition, orientation dependence of intermolecular interaction energies is also studied with utilizing eight types of orientations. Our analyses demonstrate that partial fluorinations of methane make electrostatic interaction dominant, and consequently enhance attractive interaction at several specific orientations. On the contrary, fluorine substitutions of dimethyl ether substantially decrease the electrostatic interaction between ether and CH(2)F(2) or CHF(3); thus, there is no such characteristic interaction between the C-H of fluorinated methane and ether oxygen of CF(3)OCF(3) as conventional hydrogen bonding, due to reduced polarity of fluorinated ether. The combination of different pairs of the electrostatic interaction is therefore responsible for the intermolecular interaction differences among the complexes investigated herein and also their orientations. 相似文献
82.
Suzuki M Watanabe K Fujiwara S Kurasawa T Wakabayashi T Tsuzuki M Iguchi K Yamori T 《Chemical & pharmaceutical bulletin》2003,51(6):724-727
Two norcarotenoids, 1 and 2, related to peridinin (3) were isolated from the cultured dinoflagellate of the genus Symbiodinium, a symbiont of the Okinawan soft coral Clavularia viridis, which contains in abundance antitumor marine prostanoids such as clavulones. The structures of 1 and 2 were elucidated on the basis of spectroscopic analysis. These compounds showed significant growth-inhibitory activity in vitro toward cancer cells. Analysis of fatty acids of the dinoflagellate was also carried out, suggesting that the marine prostanoids are produced by the host soft coral itself. 相似文献
83.
Naoki Yoshikawa Lushi Tan Nobuyoshi Yasuda Ralph P. Volante Richard D. Tillyer 《Tetrahedron letters》2004,45(39):7261-7264
Enantioselective syntheses of bicyclo[3.1.0]hexane carboxylic acid derivatives are described. The syntheses were achieved by an intramolecular cyclopropanation as the key step, starting from enantiomerically pure starting materials that are commercially available. 相似文献
84.
Haramura M Okamachi A Tsuzuki K Yogo K Ikuta M Kozono T Takanashi H Murayama E 《Chemical & pharmaceutical bulletin》2001,49(1):40-43
Motilin antagonist was designed and synthesized on the basis of the structure-activity relationship analysis of porcine motilin that we reported recently. The drug design was performed on a specific concept to reduce a flexibility of peptide conformation of porcine motilin partial peptide by its cyclization. The cyclic peptide was synthesized using Boc (tert-butyloxycarbonyl) solid phase methodology, followed by cyclization using the azide procedure, and tested for the binding activity to motilin receptor and smooth muscle contractile activity. The cyclic peptides 3, 4, and 5 showed antagonistic property on contraction assay (pA2 [the negative logarithm of molar concentration of antagonist causing a 2-hold shift to the right of the concentration-response curve for motilin]: 4.5, 4.34, and 4.04, respectively, in rabbit duodenum) and no contractile activity even at high concentration. 相似文献
85.
Takayoshi Tsuzuki Natsumi Sakaguchi Dr. Takashi Kudoh Satoshi Takano Masato Uehara Dr. Takashi Murayama Prof. Dr. Takashi Sakurai Dr. Minako Hashii Prof. Dr. Haruhiro Higashida Karin Weber Prof. Dr. Andreas H. Guse Dr. Tomoshi Kameda Dr. Takatsugu Hirokawa Dr. Yasuhiro Kumaki Prof. Dr. Barry V. L. Potter Dr. Hayato Fukuda Dr. Mitsuhiro Arisawa Prof. Dr. Satoshi Shuto 《Angewandte Chemie (International ed. in English)》2013,52(26):6633-6637
86.
The organomagnesium complex nBu2iPrMgLi, readily prepared from nBuLi and iPrMgCl (2:1), is quite efficient for the bromine-magnesium exchange of 5-bromo-2-picoline under noncryogenic conditions (at −10 °C). The resulting picolylmagnesium complex reacts with various electrophiles to afford functionalized picolines. 相似文献
87.
Jyh‐Horng Wu Yi‐Fu Chang Yu‐Tang Tung Minoru Tsuzuki Akira Izuka Sheng‐Yang Wang Yueh‐Hsiung Kuo 《Helvetica chimica acta》2010,93(4):753-756
Two novel 15(10→1)abeomuurolane sesquiterpenes, cosmosoic acid ( 1 ) and cosmosaldehyde ( 2 ), were isolated from the whole plant of Cosmos sulfurous. Their structures were established by a combination of 1D‐ and 2D‐NMR spectroscopic techniques. Additionally, a chemical correlation between 1 and 2 was also established. 相似文献
88.
Jinfeng Wang Takuya Tsuzuki Bin Tang Pavel Cizek Lu Sun Xungai Wang 《Colloid and polymer science》2010,288(18):1705-1711
The preparation of silica-coated ZnO nanocomposite using polyvinyl pyrrolidone (PVP) as a coupling agent was investigated.
Transmission electron microscopy analysis revealed that silica has been deposited on the surface of PVP-capped ZnO nanoparticles
as a continuous thin layer. Two-dimensional correlation analysis based on the time-dependent UV–vis spectra was introduced
to study the interaction governing the deposition of silica on to PVP-capped ZnO. Strong hydrogen bonds formed between the
amphiphilic PVP molecules and silica in the silica-coated PVP-capped ZnO composites. The reduced photocatalytic activity of
silica-coated ZnO nanoparticles will enhance their performance as durable, safe, and non-reactive UV blockers in plastics,
paints, and coating for outdoor textile and timber products. 相似文献
89.
Taku Shibue Toshihiro Hirai Dr. Iwao Okamoto Dr. Nobuyoshi Morita Dr. Hyuma Masu Prof. Dr. Isao Azumaya Prof. Dr. Osamu Tamura 《Chemistry (Weinheim an der Bergstrasse, Germany)》2010,16(38):11678-11688
The total syntheses of tetrapeptides tubulysins D ( 1 b ), U ( 1 c ), and V ( 1 d ), which are potent tubulin polymerization inhibitors, are described. The synthesis of Tuv ( 2 ), an unusual amino acid constituent of tubulysins, includes an 1,3‐dipolar cycloaddition reaction of chiral nitrone D ‐ 6 derived from D ‐gulose with N‐acryloyl camphor sultam (?)‐ 9 employing the double asymmetric induction, whereas the synthesis of Tup ( 20 ), another unusual amino acid, involves a stereoselective Evans aldol reaction of (Z)‐boron enolate generated from (S)‐4‐isopropyl‐3‐propionyl‐2‐oxazolidinone with N‐protected phenylalaninal and a subsequent Barton deoxygenation protocol. We accomplished the total syntheses of tubulysins U ( 1 c ) and V ( 1 d ) by using these methodologies, in which the isoxazolidine ring was used as the effective protective group for γ‐amido alcohol functionality. Furthermore, to understand the structure‐activity relationship of tubulysins, we synthesized tubulysin D ( 1 b ) and cyclo‐tubulysin D ( 1 e ) from 2 ‐Me and 20 , and ent‐tubulysin D (ent‐ 1 d ) from ent‐ 2 ‐Me and ent‐ 20 , respectively. The preliminary results regarding their biological activities are also reported. 相似文献
90.
Tsuzuki S Honda K Uchimaru T Mikami M Fujii A 《The journal of physical chemistry. A》2006,110(33):10163-10168
The CCSD(T) level interaction energies of CH/pi complexes at the basis set limit were estimated. The estimated interaction energies of the benzene complexes with CH(4), CH(3)CH(3), CH(2)CH(2), CHCH, CH(3)NH(2), CH(3)OH, CH(3)OCH(3), CH(3)F, CH(3)Cl, CH(3)ClNH(2), CH(3)ClOH, CH(2)Cl(2), CH(2)FCl, CH(2)F(2), CHCl(3), and CH(3)F(3) are -1.45, -1.82, -2.06, -2.83, -1.94, -1.98, -2.06, -2.31, -2.99, -3.57, -3.71, -4.54, -3.88, -3.22, -5.64, and -4.18 kcal/mol, respectively. Dispersion is the major source of attraction, even if substituents are attached to the carbon atom of the C-H bond. The dispersion interaction between benzene and chlorine atoms, which is not the CH/pi interaction, is the cause of the very large interaction energy of the CHCl(3) complex. Activated CH/pi interaction (acetylene and substituted methanes with two or three electron-withdrawing groups) is not very weak. The nature of the activated CH/pi interaction may be similar to the hydrogen bond. On the other hand, the nature of other typical (nonactivated) CH/pi interactions is completely different from that of the hydrogen bond. The typical CH/pi interaction is significantly weaker than the hydrogen bond. Dispersion interaction is mainly responsible for the attraction in the CH/pi interaction, whereas electrostatic interaction is the major source of attraction in the hydrogen bond. The orientation dependence of the interaction energy of the typical CH/pi interaction energy is very small, whereas the hydrogen bond has strong directionality. The weak directionality suggests that the hydrogen atom of the interacting C-H bond is not essential for the attraction and that the typical CH/pi interaction does not play critical roles in determining the molecular orientation in molecular assemblies. 相似文献