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Vol. 82, No. 9 (September, 2009)
[PDF version]
| The Chemical Society of Japan Award for Creative Work for 2007 | Web Release Date: September 9, 2009
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| 1055-1069
Recognition of Mismatched Base Pairs in DNA
K. Nakatani
[Full Text PDF(J-STAGE)]
Free Access Article
Mismatch binding ligand (MBL) selectively binds to mismatched base pairs with discrimination of the nucleotide bases. This review focuses on the inside story regarding the molecular design of MBL and its function, and potential application in genomic science.
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| The Chemical Society of Japan Award for Young Chemists for 2007 | Web Release Date: September 9, 2009
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| 1070-1082
Synthesis of π-Stacked Polymers on the Basis of [2.2]Paracyclophane
Y. Morisaki* and Y. Chujo*
[Full Text PDF(J-STAGE)]
Free Access Article
We have synthesized π-stacked polymers by incorporating [2.2]paracyclophane units into the conjugated polymer backbones and developed corresponding through-space-conjugated polymers, dendrimers, polymethylenes, and aromatic-ring-layered polymers.
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Web Release Date: September 9, 2009
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| 1083-1102
Catalytic Mannich-Type Reactions of Sulfonylimidates
R. Matsubara, F. Berthiol, H. V. Nguyen, and S. Kobayashi*
[Full Text PDF(J-STAGE)]
[Supporting Information] Free Access Article
DBU-catalyzed reactions of sulfonylimidates with protected imines in DMF provided the adducts in high yields with high anti selectivity. The reactions catalyzed by Mg(OtBu)2 in DMF provided the adducts with high anti selectivity, while those catalyzed by [Sr(HMDS)2]2 gave syn selectivity.
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Web Release Date: September 9, 2009
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| 1103-1106
A New Simple Method for Maturity of Finite Groups and Application to Fullerenes and Fluxional Molecules
A. Moghani
[Full Text PDF(J-STAGE)]
A simple method to specify how a given finite group is matured or unmatured is introduced via some useful examples such as a polyhex nanotorus. The Q-conjugacy character tables of the fullerene C80 and tetranitrocubane are then verified.
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Web Release Date: September 9, 2009
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| 1107-1125
Cyclopropanation Reactions of Halomethyllithium Carbenoids: A Computational Study of the Effects of Aggregation and Solvation
L. M. Pratt,* P. T. T. Trần, N. V. Nguỹên, and B. Ramachandran*
[Full Text PDF(J-STAGE)]
[Supporting Information]
Computational results are presented to support experimental evidence that cyclopropanation reactions of halomethyllithium carbenoids with alkenes occur through the concerted (methylene transfer) pathway rather than the alternate stepwise (carbometalation) pathway.
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Web Release Date: September 9, 2009
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| 1126-1132
Identification of Thiacyanine J-aggregates Adsorbed on Single Silver Nanoaggregates by Surface-Enhanced Raman Scattering and Emission Spectroscopy
Y. Kitahama,* Y. Tanaka, T. Itoh, M. Ishikawa, and Y. Ozaki
[Full Text PDF(J-STAGE)]
 | SERS spectra of single Ag nanoaggregates adsorbed by thiacyanine dyes in concentrated and diluted aqueous solutions (top and bottom, respectively). The concentration dependent SERS and background emission spectra are associated with whether J-aggregates are formed or not. |
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Web Release Date: September 9, 2009
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| 1133-1139
Extension of Density Functional Theory to Nuclear Orbital plus Molecular Orbital Theory: Self-Consistent Field Calculations with the Colle–Salvetti Electron–Nucleus Correlation Functional
Y. Imamura, Y. Tsukamoto, H. Kiryu, and H. Nakai*
[Full Text PDF(J-STAGE)]
 | This study presents a novel methodology for non Born–Oppenheimer self-consistent field calculations including not only the electron–electron (e–e) exchange-correlation but also electron–nucleus (e–n) correlation energies, as denoted by NOMO/DFT. The NOMO/DFT method can reproduce the correct structures of “vibrational bonding” systems such as ammoniated ammonium ion (N2H7+). (A) BO/DFT and (B) NOMO/DFT refer to the structures optimized with and without nuclear quantum effects, respectively. |
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Web Release Date: September 9, 2009
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| 1140-1148
Color Tuning Mechanism of Human Red, Green, and Blue Cone Pigments: SAC-CI Theoretical Study
K. Fujimoto, J. Hasegawa, and H. Nakatsuji*
[Full Text PDF(J-STAGE)]
[Supporting Information]
 | Origin of color tuning in human cone pigments has been clarified by using the SAC-CI and QM/MM methods. The absorption energies are controlled by protein-electrostatic potentials from amino acids at specific positions, suggesting some genetic origins for color tuning. |
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Web Release Date: September 9, 2009
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| 1149-1151
Reaction Paths toward Isocyanate Adducts
M. Hatanaka
[Full Text PDF(J-STAGE)]
 | Addition reactions of isocyanates were theoretically investigated by using model compounds for urethanes, thiourethanes, and ureas. The transition states were characterized as hydrogen-transfer processes, and thermodynamic analyses were consistent with experimental results. |
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Web Release Date: September 9, 2009
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| 1152-1159
Substituent Effects on Formation of Cation Dimers by Weak Hydrogen Bonds in Crystals of Carbonyl Pyridinium Salts of Ni(dmit)2
K. Tomono,* A. Koyano, T. Morita, and K. Miyamura
[Full Text PDF(J-STAGE)]
Ability to form dimers by weak C–H···O hydrogen bonds was found to depend on the electronic properties of the substituents in the crystal of metal complex salt.
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Web Release Date: September 9, 2009
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| 1160-1169
Quantitative Analysis of Structural Defect in Silicalite by Rietveld Refinements Using X-ray Powder Diffraction and 29Si MAS NMR
M. Inui, T. Ikeda,* T. Suzuki, K. Sugita, and F. Mizukami
[Full Text PDF(J-STAGE)]
The distribution of Si atom defects in a silicalite optimized for the vapor-phase Beckmann rearrangement process was investigated by using PXRD and 29Si MAS NMR techniques. The defect atoms (yellow balls) were observed as Q3 resonances in the 29Si MAS NMR spectrum.
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Web Release Date: September 9, 2009
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| 1170-1174
Cesium Salt-Catalyzed Addition of Diphenyl Dichalcogenides to Alkynes: Selective Synthesis of Bis- and Mono(phenylchalcogeno)alkenes
Y. Nishiyama,* H. Ohnishi, and Y. Koguma
[Full Text PDF(J-STAGE)]
A cesium salt has a unique catalytic ability for the reaction of alkynes with diphenyl dichalcogenides to give the corresponding vic-bis(phenylchalcogeno)alkenes in moderate to good yields. When H2O was added to the reaction medium, the monophenylchalcogenation of the alkynes occurred giving phenylchalcogenoalkenes in moderate yields.
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Web Release Date: September 9, 2009
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| 1175-1181
One-Pot Two-Step Solvent-Free Rapid and Clean Synthesis of 2-(Substituted Amino)pyrimidines by Microwave Irradiation
S. Goswami,* A. Hazra, and S. Jana
[Full Text PDF(J-STAGE)]
[Supporting Information]
A series of various 2-(substituted amino)pyrimidines has been synthesized in a one-pot two-step microwave procedure, initially by the reaction of (S)-methylisothiourea sulphate with different amines followed by condensation with various β-diketones under solid-phase and catalyst-free conditions.
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Web Release Date: September 9, 2009
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| 1182-1186
Synthesis of Derivatives of Phenanthrene and Helicene by Improved Procedures of Photocyclization of Stilbenes
H. R. Talele, M. J. Gohil, and A. V. Bedekar*
[Full Text PDF(J-STAGE)]
Photocyclization of stilbenes is carried out with I2–THF in place of propylene oxide or with cyclohexene as an oxidant.
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Web Release Date: September 9, 2009
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| 1187-1193
Synthesis and Structural Characterization of a Series of Mono-O-(diphenylphosphinobenzyl)calix[6]arenes with and without tert-Butyl Moieties at the Upper Rim
T. Fujihara, S. Kubouchi, Y. Obora, M. Tokunaga, K. Takenaka, and Y. Tsuji*
[Full Text PDF(J-STAGE)]
A series of mono-O-(diphenylphosphinobenzyl)calix[6]arene ligands with the tert-butyl groups at the upper rim (1) and without the tert-butyl moieties (2) were synthesized, characterized, and used in rhodium-catalyzed hydroformylation.
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Web Release Date: September 9, 2009
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| 1194-1196
Copper-Catalyzed Allylation of Alkyl Halides with Allylic Grignard Reagents
M. Sai, H. Yorimitsu,* and K. Oshima*
[Full Text PDF(J-STAGE)]
Treatment of alkyl halides, including secondary and tertiary alkyl bromides, with allylic Grignard reagents in the presence of a catalytic amount of copper(II) triflate in diisopropyl ether at 25 °C yielded the corresponding allylated products in high yields.
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Web Release Date: September 9, 2009
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| 1197-1202
Lean NOx Reduction by Hydrogen over Pt-Supported Rare Earth Oxide Catalysts and Their In Situ DRIFTs Study
M. Itoh, K. Motoki, M. Saito, J. Iwamoto, and K. Machida*
[Full Text PDF(J-STAGE)]
[Supporting Information]
Only Pt/CeO2 possessed good activity for H2-SCR of NOx in a series of rare earth oxide used as a support. NOx reduction could proceed through hydrogen attack to the adsorbed nitrate species as suggested from DRIFTs study.
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Web Release Date: September 9, 2009
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| 1203-1208
Gallosilicate-Based Catalysts for NOx-SCR with CH4
K. Nagashima, S. Nakamura, K. Okada, A. Nakahira, and H. Aritani*
[Full Text PDF(J-STAGE)] Open Access Article
Ga-incorporated H-MFI (GaMFI) metallosilicate catalysts show robust activity for selective catalytic reduction of NOx (NOx-SCR) with CH4. Local structure around Ga in GaMFI is very stable, but distorted Si–O4 local structure is formed after the NOx-SCR with CH4.
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Web Release Date: September 9, 2009
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| 1209-1213
A Comparative Study on the Formation and Spectral Properties of the Polypseudorotaxanes of β-Cyclodextrin and Poly(propylene glycol) under Different Conditions
X. Q. Guo, L. X. Song,* Z. Dang, and F. Y. Du
[Full Text PDF(J-STAGE)]
The different preparation methods result in different host–guest stoichiometries, molecular stacking forms, and thermal stabilities of polypseudorotaxanes.
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