Center for Quantum Life Sciences (QuLiS)



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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.

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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).

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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 MSh 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).

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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).

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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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