Announcement original work dissertation



List of Announcement of Fiscal Year 2005

›@Result of research of Fiscal Year 2005

Computations of Molecular Interactions and Reactivity group
iMembers: AIDA, Misako; IWATA, Suehiro; MATSUBARA, Toshiaki; SAKAE, Yoshitake; HARADA, Takanorij
iPostdoctoralF Shaheda A. Wahabj


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

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

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

Shaheda A.Wahab, Takanori Harada, Toshiaki Matsubara and Misako Aida, gQuantum 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,h Journal of Physical Chemistry A, 110 (3), 1052-1059 (2006)

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

Structural design, Predict and Synthesis group
iMembers: INOUE, Katsuya; EBATA, Takayuki; ISHIBASHI, Taka-aki; KOJIMA, Satoshij
iPostdoctoralFTAKASU, Yuichi; AKAI, Nobuyuki; NAGAHARA, Tetsuhikoj


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

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

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

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

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

E. A. Abou EL-Nasr, A. Fujii, T. Yahagi, T. Ebata, and N. Mikami, gLaser 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, gInfrared 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,h. J. Phys. Chem. A 109, 915-221 (2005).

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

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

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

S. Boyarchenkov, A. S. Ovchinnikov, I. G. Bostrem, N. V. Baranov, Y. Hosokoshi, K. Inoue. gReal-space renormalization group study of the anisotropic antiferromagnetic Heisenberg model of spin S=1 on a honeycomb lattice,h 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, gNuclear magnetic relaxation of proton in organic radial antiferromagnet BIPNNBNO around critical field region,h Progress of Theoretical Physics Supplement, 159, 118-122 (2005).

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

H. Imai, K. Inoue, K. Kikuchi, gCrystal 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, gMagnetic resonance in a [{Cr(CN)6}{Mn(S)-pnH-(H2O)}]¥H2O single-crystal molecular ferrimagnet,h Physics of the Solid State, 47, 2106-2113 (2005).

S. Hayami, K. Danjobara, S. Miyazaki, K. Inoue, Y. Ogawa, Y. Maeda, gPhoto-Induced Spin Transition Iron(II) Compounds with Liquid-Crystal Properties,h 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, gReverse Spin Transition Phenomenon Triggered by Structural Phase Transition,h Angew. Chem. Int. Ed., 44, 4899-4903 (2005).

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

Y. Maeda, K. Danjobara, S. Hayami, K. Inoue, Y. Ogawa, N. Matsumoto, gMetallomesogens 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, gSpin-crossover cobalt(II) compound with banana-shaped structure,h Inorganic Chemistry, 44, 7295-7297 (2005).

S. Hayami, T. Kawahara, Y. Maeda, K. Inoue, O. Sato, gInfluence of the intermolecular interaction on photo-induced spin-transition of [Fe(R-pap)2]X,h 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, gThe 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,h 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, gExploration 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),h J. Organometallic Chem., 690, 48-56 (2005).

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

H. Kumagai, M. Akita-Tanaka, S. Kawata and K. Inoue, gHydrothermal Synthesis and Structural Characterization of a Manganese (II) Wire Made Up of Octahedral and Square Mn(II) Ions,h 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, gMolecular rotor of Cs-2([18]crown-6)(3) in the solid state coupled with the magnetism of [Ni(dmit)2],h J. Am. Chem. Soc., 127, 4397-4402 (2005).

Y. Tanimoto, M. Fujiwara, M. Sueda, K. Inoue, M. Akita, gMagnetic levitation of plastic chips: Applications for magnetic susceptibility measurement and magnetic separation,h 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, gRational synthesis and X-ray structural study of manganese-pyridine-alcohol derivatives,h Journal of Coordination Chemistry, 58, 1523-1530 (2005).


Protein Informatics group
iMembers: IDE, Hiroshi; IZUMI, Shunsuke; KATAYANAGI, Katsuoj
iPostdoctoralFYAMAMOTO, Tatsuyaj


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

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

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

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

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

Biological system Informatics group
iMembers : TANAKA, Nobukazu; OZAWA, Koichiro; KOTAKE, Yaichirou; KATSUMOTO, Yukiteruj
iPostdoctoral : Adchara Padermshokej
(Visiting Professor : SAITO, Hazime)


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

Yusuke Nakatsu, Yaihchiro Kotake and Shigeru Ohta, gTributyltin-induced cell death is meadiated by calpain in PC12 cells,h Neurotoxicology in press.

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

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

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

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

Yukiteru Katsumoto, Takeyuki Tanaka and Yukihiro Ozaki, gMolecular 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,h Journal of Physical Chemistry B, 109(44), 20690-20696 (2005).

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

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

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

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

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

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

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

Kanae Hyoda, Toru Hosoi, Naohiro Horie, Yasunobu Okuma, Koichiro Ozawa, Yasuyuki Nomura, gPI3K-Akt inactivation induced CHOP expression in endoplasmic reticulum-stressed cells,h Biochemical and Biophysical Research Communications, 340, 286-290 (2006).

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

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

Calculator and Information group
iMembers: KAMINUMA, Tsuguchika; ISHINO, Yoko; MORIMOTO, Yasuhikoj

Yoko Ishino, Yan Jin, gAn Information Value Based Approach to Design Procedure Capture,h Advanced Engineering Informatics, 20 (1), 89-107 (2006).

Magnus Nordborg, Tina T. Hu, Yoko Ishino, Jinal Jhaveri, Christopher Toomajian, et al: gThe Pattern of Polymorphism in Arabidopsis thaliana, h Public Library of Science (PLoS) Biology, 3 (7), 1289-1299 (2005).

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