2005年度業績リスト

○　原著論文


機能設計予測グループ
（メンバー：相田 美砂子・岩田 末廣・松原 世明・榮 慶丈・原田 隆範）
（博士研究員：Shaheda A. Wahab）

Masato Tanaka and Misako Aida, “Ab initio MO and quasi-classical direct ab initio MD studies on the nitrogen inversion of trimethylamine,” Chemical Physics Letters, 417, 317-320 (2006).

Suehiro Iwata and Fenwu Chen, “Theoretical study of photoabsorption cross section of water cluster anions: The size and isomer dependences,” Journal of Electron Spectroscopy and Related Phenomina, 142, 277-281 (2005).

Suehiro Iwata, “Locally projected molecular orbital theory for molecular interaction with a high-spin open shell molecule,” Journal of Theoretical and Computational Chemistry, in press (2006).

Shaheda A.Wahab, Takanori Harada, Toshiaki Matsubara and Misako Aida, “Quantum Chemical Study of the Interaction of the Short-Chain Poly(oxyethylene)s CH3(OCH2CH2)mOCH3 (C1EmC1; m=1 and 2) with a Water Molecule in the Gas Phase and the Solutions,” Journal of Physical Chemistry A, 110 (3), 1052-1059 (2006)

Toshiaki Matsubara, Masashi Ishikura and Misako Aida, “A Quantum Chemical Study of the Catalysis for Cytidine Deaminase: Contribution of the extra water molecule,” Journal of Chemical Information and Modeling, in press.

構造設計予測合成グループ
（メンバー：井上 克也・江幡 孝之・石橋 孝章・小島 聡志）
（博士研究員：高須 雄一・赤井 伸行・永原 哲彦）

Satoshi Kojima, Kouji Fujitomo, Yoshiaki Itoh, Kyoko Hiroike, Masaaki Murakami and Katsuo Ohkata, “The Effect of Substituents on the Pyridine Ring in the Diastereoselective Cyclopropanation Reaction of Pyridinium Ylides Bearing an 8-Phenylmenthyl Ester Group,” Heterocycles, 68(2), 679-694 (2006).

Satoshi Kojima, Kazumasa Kajiyama, Masaaki Nakamoto, Shiro Matsukawa and Kin-ya Akiba, “The ligand-exchange process of P-Hapical phosphoranes and the thermal formation and pseudorotation of anti-apicophilic spirophosphoranes,” European Journal of Organic Chemistry, 2006(1), 218-234.

Satoru Fujiyoshi, Taka-aki Ishibashi, Hiroshi Onishi, “Low-Frequency Vibrations of Molecular Submonolayers Detected by Time-Domain Raman Spectroscopy,” Journal of Molecular Structure, 735-736C, 169-177 (2005).

Tomonori Nomoto, Taka-aki Ishibashi, Hiromi Okamoto, Hiro-o Hamaguchi, “Structure of the S1 state of diphenylacetylene as studied by time-resolved CARS and infrared spectroscopy,” Journal of Molecular Structure, 735-736C, 197-202 (2005).

Satoru Fujiyoshi, Taka-aki Ishibashi, Hiroshi Onishi, “Fourth-Order Raman Spectroscopy of Wide-Bandgap Materials,” Journal of Physical Chemistry B, 109, 8557-8561 (2005).

E. A. Abou EL-Nasr, A. Fujii, T. Yahagi, T. Ebata, and N. Mikami, “Laser spectroscopic investigation of salicylic acids hydrogen bonded with water in supersonic jets : Microsolvation effects for excited state proton dislocation., J. Phys. Chem. A 109, 2498-2504 (2005).

V. Venkatesan, A. Fujii, T. Ebata, and N. Mikami, “Infrared and ab initio studies on 1,2,4,5-tetrafluorobenzene clusters with methanol and 2,2,2-trifluoroethanol: Presence and absence of an aromatic C-H -- O hydrogen bond,”. J. Phys. Chem. A 109, 915-221 (2005).

E. A. Abou EL-Nasr, A. Fujii, T. Ebata, and N. Mikami, “Infrared and ultraviolet laser spectroscopy of jet-cooled substituted salicylic acids; substitution effects on the excited state intramolecular proton transfer in salicylic acid,” Mol. Phys. 103, 1561-1572 (2005).

Y. Yamada, J. Okanao. N. Mikamia, and T. Ebata, “Picosecond IR-UV pump-probe spectroscopic study on the intramolecular vibrational energy redistribution of NH2 and CH stretching vibrations of jet-cooled aniline.” J. Chem. Phys. 123, 124316-124324 (2005).

Y. Yoshida, N. Tateiwa, M. Mito, T. Kawae, K. Takeda, Y. Hosokoshi, K. Inoue, “Specific heat study of an S=1/2 alternating heisenberg chain system: F5PNN in a magnetic field,” Phys. Rev. Lett., 94, 37203 (2005).

S. Boyarchenkov, A. S. Ovchinnikov, I. G. Bostrem, N. V. Baranov, Y. Hosokoshi, K. Inoue. “Real-space renormalization group study of the anisotropic antiferromagnetic Heisenberg model of spin S=1 on a honeycomb lattice,” Journal of Physics-Condensed Matter, 1712, 1769-1780 (2005).

Y. Fujii, H. Hashimoto, A. Mori, A. Tanaka, M. Chiba, Y. Hosokoshi, K. Inoue, Y. Yamamoto, H. Hori, “Nuclear magnetic relaxation of proton in organic radial antiferromagnet BIPNNBNO around critical field region,” Progress of Theoretical Physics Supplement, 159, 118-122 (2005).

J. Kishine, K. Inoue, Y. Yoshida, “Synthesis, Structure and Magnetic Properties of Chiral Molecule-based Magnets,” Progress of Theoretical Physics Supplement, 159, 82-95 (2005).

H. Imai, K. Inoue, K. Kikuchi, “Crystal structures and magnetic properties of chiral and achiral cyanide-bridged bimetallic layered compounds, Polyhedron, 241, 2808-2812. (2005).

I. V. Blokhin, A. S. Markosyan, R. B. Morgunov, K. Inoue, Y. Tanimoto, Y. Yoshida, “Magnetic resonance in a [{Cr(CN)6}{Mn(S)-pnH-(H2O)}]･H2O single-crystal molecular ferrimagnet,” Physics of the Solid State, 47, 2106-2113 (2005).

S. Hayami, K. Danjobara, S. Miyazaki, K. Inoue, Y. Ogawa, Y. Maeda, “Photo-Induced Spin Transition Iron(II) Compounds with Liquid-Crystal Properties,” Polyhedron, 241, 2821-2827 (2005).

S. Hayami, Y. Shigeyoshi, M. Akita, K. Inoue, K. Kato, K. Osaka, M. Takata, R. Kawajiri, T. Mitani, Y. Maeda, “Reverse Spin Transition Phenomenon Triggered by Structural Phase Transition,” Angew. Chem. Int. Ed., 44, 4899-4903 (2005).

S. Hayami, K. Danjobara, Y. Shigeyoshi, K. Inoue, Y. Ogawa, Y. Maeda, “Crystal Structure and Mesogenic Property of an Iron(II) Complex with a Terpyridine Derivative Ligand,” Inorg. Chem. Comm., 8, 506-509 (2005).

Y. Maeda, K. Danjobara, S. Hayami, K. Inoue, Y. Ogawa, N. Matsumoto, “Metallomesogens with Spin-Transition Phenomena, AIP Conference Proceedings, 765, 263-268 (2005).

S. Hayami, R. Moriyama, Y. Shigeyoshi, R. Kawajiri, T. Mitani, M. Akita, K. Inoue, Y. Maeda, “Spin-crossover cobalt(II) compound with banana-shaped structure,” Inorganic Chemistry, 44, 7295-7297 (2005).

S. Hayami, T. Kawahara, Y. Maeda, K. Inoue, O. Sato, “Influence of the intermolecular interaction on photo-induced spin-transition of [Fe(R-pap)2]X,” Journal of Radioanalytical and Nuclear Chemistry, 2663, 521-525. (2005).

S. Onaka, M. Yaguchi, R. Yamagichi, T. Ozeki, M. Ito, T. Sunahara, Y. Sugiura, M. Shiotsuka, K. Nunokawa, M. Horibe, K. Okazaki, A. Iida, H. Chiba, K. Inoue, H. Imai, K. Sako, “The effect of carbon chain length of the diphosphine ligand on the aurophilic interaction. Synthsis and X-ray Structural study for a series of Au (I) copounds with Ph2P-R-PPh2 and S-(CH2)n-py Ligands,” J. Organometallic Chem., 690, 57-68 (2005).

K. Nunokawa, S. Onaka, Y. Mizuno, K. Okazaki, T. Sunahara, M. Ito, M. Yaguchi, H. Imai, K. Inoue, T. Ozeki, Hi. Chiba, T. Yoshida, “Exploration on Au(S-4-py)PR3 complexes as a viable building block for constructing hetero-nuchear supramolecules: synthesis and X-ray study on M(acac')2[Au(S-4-py)PR3]2(ClO4)x (M = Cr, Cu; acac' = acetylacetonate, hexafluoro-acetylacetonate; x = 0 or 1),” J. Organometallic Chem., 690, 48-56 (2005).

K. Nunokawa, K. Okazaki, S. Onaka, M. Ito, T. Sunahara, T. Ozeki, H. Imai, K. Inoue, “Synthesis and X-ray structure study on new An(I) polymer architectures based on multi-sulfur tentacles,” J. Organimet. Chem., 690, 1332-1339 (2005).

H. Kumagai, M. Akita-Tanaka, S. Kawata and K. Inoue, “Hydrothermal Synthesis and Structural Characterization of a Manganese (II) Wire Made Up of Octahedral and Square Mn(II) Ions,” Chem. Lett., 34, 526-527 (2005).

T. Akutagawa, K. Shitagami, S. Nishihara, S. Takeda, T. Hasegawa, T. Nakamura, Y. Hosokoshi, K. Inoue, S. Ikeuchi, Y. Miyazaki, K. Saito, “Molecular rotor of Cs-2([18]crown-6)(3) in the solid state coupled with the magnetism of [Ni(dmit)2],” J. Am. Chem. Soc., 127, 4397-4402 (2005).

Y. Tanimoto, M. Fujiwara, M. Sueda, K. Inoue, M. Akita, “Magnetic levitation of plastic chips: Applications for magnetic susceptibility measurement and magnetic separation,” Japanese Journal of Applied Physics Part 1-Regular Papers Brief Communications & Review Papers, 449, 6801-6803 (2005).

S. Onaka, L. Hong, M. Ito, T. Sunahara, H. Imai, K. Inoue, “Rational synthesis and X-ray structural study of manganese-pyridine-alcohol derivatives,” Journal of Coordination Chemistry, 58, 1523-1530 (2005).

蛋白質情報グループ
（メンバー：井出 博・泉 俊輔・片柳 克夫）
（博士研究員：山本 竜也）

Masahiro Iwakura, Kosuke Maki, Hisashi Takahashi, Tatsuyuki Takenawa, Akiko Yokota, Katsuo Katayanagi, Tadashi Kamiyama and Kunihiko Gekko, “Evolution design of a hyper-active cysteine-and methionine-free mutant of Escherichia coli dehydrofolate reductase,” Journal of Biological Chemistry, in press (2006).

M. Morita, Y. Harada, K. Iseki, S. Izumi and A. Hiraya, “Mass Spectroscopic Approach to Amino Acids Formation Processes by UV Irradiation to Simple Organic Molecules in Aqueous Solution,” Analytical Science, 21, 1085(2005).

S. Toraya, T. Nagao, K. Norisada, S. Tuzi, H. Saito, S. Izumi and A. Naoto, “Morphological Behavior of Lipid Bilayers Induced by Melittin Near the Phase Transition Temperature,” Biophys. J., 105, 1529(2005).

J. Maniwa, S. Izumi, N. Isobe and T.Terada, “Studies on Substantially Increased Proteins in Follicular Fluid of Bovine Ovarian Follicular Cysts using 2-D PAGE and MALDI-TOF MS” Reproductive Biology and Endocrinology, 3, 23(2005).

E. Matsuo, C. Toda, M. Watanabe, N. Ojima, S. Izumi, K. Tanaka and O. Nishimura, “Selective Detection of NBS-Labeled Peptides Using Specific Matrix and MALDI-TOF Mass Spectrometer,” Proteomics, 6, 2042(2006).

生体系情報グループ
（メンバー：田中 伸和・小澤 孝一郎・古武 弥一郎・勝本 之晶）
（博士研究員：Adchara Padermshoke）
（客員教授：齊藤 肇）

Yusuke Nakatsu, Yaichiro Kotake, Kazuya Komasaka, Hiroko Hakozaki, Ryota Taguchi, Toshiaki Kume, Akinori Akaike and Shigeru Ohta, “Glutamate excitotoxicity is involved in cell death caused by tributyltin in cultured rat cortical neurons,” Toxicological Sciences, 89, 235-242 (2006).

Yusuke Nakatsu, Yaihchiro Kotake and Shigeru Ohta, “Tributyltin-induced cell death is meadiated by calpain in PC12 cells,” Neurotoxicology in press.

Shuichi Toraya, Takashi Nagao, Kazushi Norisada, Satoru Tuzi, Hazime Saito, Shunsuke Izumi and Akira Naito, “Morphological Behavior of Lipid Bilayers Induced by Melittin Near the Phase Transition Temperature,” Biophysical Journal, 89, 3214-3222 (2005).

Takiko Uezono, Shuichi Toraya, Maki Obata, Katsuyuki Nishimura, Satoru Tuzi, Hazime Saito and Akira Naito, “Structure and Orientation of Ddynorphin Bound to Lipid Bilayers by 13C Solid-state NMR,” Journal of Molecular Structure, 749, 13-19 (2005).

Niken Satuti Nur Handayani, Hiroshi Moriuchi, Masayuki Yamakawa, Ichiro Yamashita, Kazuo Yoshida and Nobukazu Tanaka, “Characterization of the rolB promoter on mikimopine-type pRi1724 T-DNA,” Plant Science, 168, 1353-1364 (2005).

Hikaru Seki, Tomoko Nishizawa, Nobukazu Tanaka, Yasuo Niwa, Shigeo Yoshida and Toshiya Muranaka, “Hairy root-activation tagging: a high-throughput system for activation tagging in transformed hairy roots,” Plant Molecular Biology, 59, 793-807 (2005).

Yukiteru Katsumoto, Takeyuki Tanaka and Yukihiro Ozaki, “Molecular Interpretation for the Solvation of Poly(acrylamide)s I. Solvent-Dependent Changes in the C=O Stretching Band Region of Poly(N,N-dialkylacrylamide)s,” Journal of Physical Chemistry B, 109(44), 20690-20696 (2005).

Md. Ruhul Matin, Yukiteru Katsumoto, Hiroatsu Matsuura and Keiichi Ohno, “Hydration of Short-Chain Poly(oxyethylene)s in Carbon Tetrachloride: An Infrared Spectroscopic Study,” Journal of Physical Chemistry B, 109(42), 19704-19710 (2005).

Nobuyuki Akai, Yukiteru Katsumoto, Keiichi Ohno and Misako Aida, “Vibrational anharmonicity of acetic acid studied by matrix-isolation NIR spectroscopy and DFT calculation,” Chemical Physics Letters, 413(4-6), 367-372 (2005).

Keiichi Ohno, Mari Okimura, Nobuyuki Akai and Yukiteru Katsumoto, “The effect of cooperative hydrogen bonding on the OH stretching-band shift for water clusters studied by matrix-isolation infrared spectroscopy and density functional theory,” Physical Chemistry Chemical Physics, 7(16), 3005-3014 (2005).

Keiichi Ohno, Hiroshi Takao and Yukiteru Katsumoto, “Geometrical behavior of hydrogen bonding patterns in the a-dodecyl-w-hydroxy- tris(oxyethylene)-water system monitored by near infrared spectroscopy,” Spectrochim. Acta, Part A, 63(3), 690-693 (2006).

Md. Ruhul Matin, Shaheda A. Wahab, Yukiteru Katsumoto, Hiroatsu Matsuura and Keiichi Ohno, “Thermal Stability of the Hydration Structure of Short-chain Poly(oxyethylene) in Carbon Tetrachloride: An Infrared Spectroscopic Observation of the Breakdown of Hydrogen Bonds,” Chemical Letters, 34, 502-503 (2005).

Katsuhito Nagano, Etsuko Suzaki, Yumi Nagano, Katsuko Kataoka and Koichiro Ozawa, “A Low Temperature Environment Delays the Changes in Muscle Fiber Type Composition Induced by Unloading,” Acta Histochemica Et Cytochemica, 38, 305-312 (2005).

Toru Hosoi, Sawako Suzuki, Yasunobu Okuma, Akiko Kwakami, Naoki Ogawa, Koichiro Ozawa, Yasuyuki Nomura, “LPS induces stefin A3 expression in mouse primary cultured glial cells,” Molecular Brain Research, 140, 138-141 (2005).

Kanae Hyoda, Toru Hosoi, Naohiro Horie, Yasunobu Okuma, Koichiro Ozawa, Yasuyuki Nomura, “PI3K-Akt inactivation induced CHOP expression in endoplasmic reticulum-stressed cells,” Biochemical and Biophysical Research Communications, 340, 286-290 (2006).

Toru Hosoi, Chie Hashimoto, Michiko Yoshii, Yasunobu Okuma, Yasuyuki Nomura, Koichiro Ozawa, “Mechanisms of endoplasmic reticulum stress-induced leptin resistant,” Journal of Pharmacological Sciences, 100, 244P (2006).

Koichiro Ozawa, Toru Hosoi, Fumie Onishi, Michiko Yoshii, “Inhibitory effect of purine derivatives on histamine release in RBL-2H3 cells,” Journal of Pharmacological Sciences, 100, 285P (2006).