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Vol. 80, No. 10 (October, 2007)
[PDF version]
| Web Release Date:
October 12, 2007
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1843-1855
Electrochemical Energy Generation and Storage. Fuel Cells and Lithium-Ion Batteries
H. D. Abruña,* F. Matsumoto, J. L. Cohen, J. Jin, C. Roychowdhury, M. Prochaska, R. B. van Dover, F. J. DiSalvo, Y. Kiya, J. C. Henderson, and G. R. Hutchison
[Full Text PDF(J-STAGE)] Free Access Article
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We illustrate our current work for electrochemical energy generation and storage devices. The development of Pt-based ordered intermetallic compounds as anode electrocatalysts for fuel cells and organosulfur-based compounds as high-energy cathodes for lithium-ion batteries is discussed.
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| Web Release Date:
October 12, 2007
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| 1856-1869
Clicked Interlocked Molecules
I. Aprahamian, O. Š. Miljanić, W. R. Dichtel, K. Isoda, T. Yasuda, T. Kato, and J. F. Stoddart*
[Full Text PDF(J-STAGE)] Free Access Article
The CuI-catalyzed Huisgen 1,3-dipolar cycloaddition can be used in the efficient and divergent synthesis of mechanically interlocked molecules, such as [n]rotaxanes and [2]catenanes. The simplicity of the required precursors and the straight-forwardness of the reaction establish this type of “click chemistry” as an indispensable strategy for the synthesis of mechanically interlocked molecular compounds.
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| The Chemical Society of Japan Award for Young Chemists for 2005 |
Web Release Date:
October 12, 2007
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1870-1883
Bioorganic Studies Utilizing Rationally Designed Synthetic Molecules: Absolute Configuration of Ciguatoxin and Development of Immunoassay Systems
H. Oguri
[Full Text PDF(J-STAGE)] Free Access Article
A synthetic approach using rationally designed molecules based on partial structures of ciguatoxins offered a solution to longstanding problems related to ciguatera seafood poisoning.
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| Web Release Date:
October 12, 2007
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1884-1900
Kinetically Stabilized 1,1′-Bis[(E)-diphosphenyl]ferrocenes: Syntheses, Structures, Properties, and Reactivity
N. Nagahora, T. Sasamori, Y. Watanabe, Y. Furukawa, and N. Tokitoh*
[Full Text PDF(J-STAGE)] [Supporting Information] Free Access Article
Kinetically stabilized 1,1′-bis[(E)-diphosphenyl]ferrocenes were synthesized by taking advantage of extremely bulky substituents, 2,4,6-tris[bis(trimethylsilyl)methyl]phenyl (Tbt) and 2,6-bis[bis(trimethylsilyl)methyl]-4-[tris(trimethylsilyl)methyl]phenyl (Bbt) groups, and characterized by the spectroscopic and X-ray crystallographic analyses.
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| Web Release Date:
October 12, 2007
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1901-1913
Theoretical Study on the Kinetic and Mechanism of H+HO2 Reaction
S. H. Mousavipour* and V. Saheb
[Full Text PDF(J-STAGE)]
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The kinetics and mechanism of reaction of a hydroperoxyl radical (HO2) with a hydrogen atom on both singlet and triplet surfaces was studied theoretically. One of the products in this system was H2O+O. It was shown that formation of H2O+O proceeds via the formation of energized water oxide (H2OO*). Ignoring the role of this species caused disagreement between the experimental and theoretical results for the rate constant of formation of H2O+O in this system. The rate constants for different channels of this system were theoretically calculated.
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October 12, 2007
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1914-1919
Conformations of O3–F 1:1 Complexes. An Ab Initio Study
H. Roohi* and B. Mackiabadi
[Full Text PDF(J-STAGE)]
The conformational geometries of the FO3 complexes were investigated computationally in the doublet state. The geometry optimization and frequency calculation were performed at the CCSD/aug-cc-pVDZ, CCSD/6-311+G(d), and QCISD/aug-cc-pVDZ levels of theory. One non-planar and two planar conformational geometries of FO3 complex were found in the doublet state. Quantum theory of Atom In Molecule (QTAIM) was also employed to characterize the electronic properties of the conformational geometries of FO3 complex.
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| Web Release Date:
October 12, 2007
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| 1920-1925
Evaluation of Docking Accuracy and Investigations of Roles of Parameters and Each Term in Scoring Functions for Protein–Ligand Docking Using ArgusLab Software
A. Oda,* M. Okayasu, Y. Kamiyama, T. Yoshida, O. Takahashi, and H. Matsuzaki
[Full Text PDF(J-STAGE)]
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We evaluated the docking accuracy of ArgusLab using experimentally determined protein–ligand complex structures. The results indicate that GADock is superior in terms of accuracy. In the pose construction step, looser settings for AScore yielded better results using ArgusDock.
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| Web Release Date:
October 12, 2007
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| 1926-1931
Phase Separation of Aqueous Poly(vinyl methyl ether) Solutions Induced by the Photon Pressure of a Focused Near-Infrared Laser Beam
Y. Tsuboi,* M. Nishino, Y. Matsuo, K. Ijiro, and N. Kitamura*
[Full Text PDF(J-STAGE)]
Photon-pressure-induced phase-separation (micro-particle formation) in aqueous poly(vinyl methyl ether) solutions. Confocal Raman microspectroscopy showed that phase transition from coiled to globular state of the polymer proceeded during the phase separation.
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| Web Release Date:
October 12, 2007
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| 1932-1938
Influence of Temperature, Pressure, and pH on the Group-Inclusion Equilibrium in Water Soluble Calixarenes
Y. Sueishi,* M. Negi, and Y. Kotake
[Full Text PDF(J-STAGE)]
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We investigated the thermodynamic and pH-dependent properties of the group-inclusion complex formation, i.e., the effects of temperature, pressure, and the medium pH on the group inclusion by water-soluble p-sulfonatocalixarenes were determined.
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| Web Release Date:
October 12, 2007
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| 1939-1941
Difference in the Potential Energy Surfaces from the Fragment MO Method and Conventional Ab Initio SCF-MO Method. A Case of a Surface for Ring Rotation of (−)-Epicatechin Gallate Using the STO-3G Basis Set
K. Tamura, T. Watanabe, T. Ishimoto, and U. Nagashima*
[Full Text PDF(J-STAGE)]
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Difference in the potential energy surfaces obtained from the fragment MO (FMO) method and conventional ab initio Hartree–Fock SCF-MO (HFMO) method was investigated using the best fragmentation pattern of (−)-epicatechin gallate. In the lower energy region (<23.06 kcal mol−1 = 1.16× 104 K), the average of the difference between the HFMO and FMO methods was 1.1 kcal mol−1. The FMO method is applicable to quantum MD calculation of large molecular system at standard temperatures.
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| Web Release Date:
October 12, 2007
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| 1942-1948
Analyte Pulse Perturbation Technique for the Determination of 6-O-Acetylmorphine in Seized Street Drug Samples
N. Pejić,* S. Blagojević, J. Vukelić, L. Kolar-Anić, and S. Anić
[Full Text PDF(J-STAGE)]
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An analyte pulse perturbation technique was applied to the Bray–Liebhafsky (BL) oscillatory reaction system in a stable non-equilibrium stationary state close to the bifurcation point to determine micro-quantitatively 6-O-acetylmorphine.
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| Web Release Date:
October 12, 2007
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| 1949-1954
Dinuclear and Tetranuclear Copper(II) Complexes with a Ligand Bearing Phthalocyanine and Schiff-Base Coordination Sites
M. Handa,* K. Murakoshi, A. Nishikawa, K. Yahata, K. Shiomi, I. Hiromitsu, T. Sugimori, K. Sogabe, K. Isa, M. Nakata, and K. Kasuga*
[Full Text PDF(J-STAGE)]
Dinuclear and tetranuclear copper(II) complexes with a ligand bearing phthalocyanine and Schiff-base coordination sites were prepared. The tetranuclear compex exhibited no significant interaction among the two copper(II) phthalocyanine units and the hydroxo- and phenoxo-bridged dinuclear unit coordinated by Schiff-base.
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| Web Release Date:
October 12, 2007
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| 1955-1964
Structure and Properties of Carbonyl-Coordinated Ruthenium(II) and Osmium(II) Porphyrin Dimers Bridged by Aza Ligands
C. Bando, A. Furukawa, K. Tsuge, K. Takaishi, Y. Sasaki, and T. Imamura*
[Full Text PDF(J-STAGE)] [Supporting Information]
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Carbonyl-coordinated ruthenium(II) and osmium(II) porphyrin dimers bridged by aza ligands, [{M(por)(CO)}2(BL)] (M = RuII, OsII; por = ttp, oep; BL = pz, bpy, dabco), were prepared and characterized by using physicochemical measurements and X-ray crystallography. The dimers bridged by pz or dabco were stepwise electrochemically oxidized during the first oxidation processes, except the [{Ru(oep)(CO)}2(BL)] systems.
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| Web Release Date:
October 12, 2007
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| 1965-1974
Tetrameric, Tri-Titanium(IV)-Substituted Polyoxometalates with an α-Dawson Substructure as Soluble Metal Oxide Analogues. Synthesis and Molecular Structure of Three Giant “Tetrapods” Encapsulating Different Anions (Br−, I−, and NO3−)
Y. Sakai, S. Yoshida, T. Hasegawa, H. Murakami, and K. Nomiya*
[Full Text PDF(J-STAGE)] [Supporting Information]
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The preparation and structural characterization of three giant “tetrapod”-shaped polyoxometalates (POMs) with approximately Td symmetry, [{α-P2W15Ti3O59(OH)3}4{μ3-Ti(H2O)3}4X]21−, consisting of four tri-titanium(IV)-substituted α-Dawson subunits, four octahedral Ti(H2O)3 bridging groups and one encapsulated anion X (X=Br− (1a), I− (2a), and NO3− (3a)), are described. The encapsulation of the different anions shows the cationic character of the central framework constituted by the protonated Ti–O–Ti bonds, i.e. the Ti–OH–Ti bonds.
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| Web Release Date:
October 12, 2007
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| 1975-1980
Cholesterol-Linked β-Cyclodextrin—A Thermotropic Liquid-Crystalline Derivative
V. A. E. Shaikh,* S. V. Lonikar, D. A. Dhobale, and G. M. Pawar
[Full Text PDF(J-STAGE)] [Supporting Information]
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In the first ever attempt so far of its kind, β-cyclodextrin was converted into its liquid-crystalline (LC) derivative through covalent linkage of the mesogen-cholesterol. This LC derivative may prove to be a potential candidate in biomedical applications to lower blood cholesterol through mixed mesophase formation and complexation.
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| Web Release Date:
October 12, 2007
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| 1981-1986
Synthesis and Structural Characterization of a Tetranuclear Platinum(II) Metallamacrocycle Containing 1,3-Diisocyanoarene Ligands
H. Ito,* T. Maeda, and M. Sawamura*
[Full Text PDF(J-STAGE)]
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A new tetranuclear platinum(II) metallamacrocycle including four 1,3-diisocyanoarene ligands was synthesized and characterized. X-ray crystallographic analysis showed that the complex adopted a square ring structure with trans arrangement of coordinated isocyanides around the Pt atoms.
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| Web Release Date:
October 12, 2007
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| 1987-1994
Effects of Polyethylene Glycol on DNA Duplex Stability at Different NaCl Concentrations
H. Karimata, S. Nakano, and N. Sugimoto*
[Full Text PDF(J-STAGE)] [Supporting Information]
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We investigated the thermal stability of DNA duplexes in solutions containing PEG 8000 (polyethylene glycol of M.W. 8000) at different NaCl concentrations. PEG 8000 buffers changes in the stability of DNA duplexes caused by changes in NaCl concentration.
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| Web Release Date:
October 12, 2007
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| 1995-2000
Synthesis and Photoisomerization of Enediyne-Type Dendrimers with Benzyl Ether Dendrons
N. Yoshimura, A. Momotake, Y. Shinohara, Y. Nishimura, and T. Arai*
[Full Text PDF(J-STAGE)]
Enediyne-type dendrimers were prepared as pure cis- and trans-isomers. The intramolecular energy-transfer efficiency and emission properties as well as photoisomerization around the C=C double bond were studied.
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| Web Release Date:
October 12, 2007
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| 2001-2007
Enhancing a Neat Microwave-Assisted Transformation. Diels–Alder Reaction of 2H-Pyran-2-ones toward Fused Bicyclo[2.2.2]octenes
K. Kranjc and M. Kočevar*
[Full Text PDF(J-STAGE)]
Addition of a minor amount of a liquid additive (butan-1-ol) substantially enhanced the neat Diels–Alder reaction between 2H-pyran-2-ones and N-substituted maleimides, which take place in a closed vessel under microwave-irradiation conditions.
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| Web Release Date:
October 12, 2007
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| 2008-2010
Facile Cleavage of Ethers in Ionic Liquid
L. Cheng, C. Aw, S. S. Ong, and Y. Lu*
[Full Text PDF(J-STAGE)] [Supporting Information]
Various alkyl ethers were efficiently cleaved by treating them with pyridinium halides in ionic liquid, and the desired products were obtained in excellent yields.
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| Web Release Date:
October 12, 2007
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| 2011-2013
Carbanion vs. Carbon Radical in Tandem 1,4-Addition to Two Connected Units of Acrylate or Methacrylate
S. Nagano, S. S. M. A. Hakim, and T. Sugimura*
[Full Text PDF(J-STAGE)] [Supporting Information]
The Michael addition of carbanion to the substrate containing two units of acrylate or methacrylate connected with 2,4-pentanediol did not lead to the intended intramolecular addition, but the addition of a carbon radical induced the internal addition to give cyclic compounds.
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| Web Release Date:
October 12, 2007
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| 2014-2018
In Situ Solid/Liquid Separation Effect for High-Yield Recovery of Boron and Fluorine from Aqueous Media Containing Borate or Fluoroborate Ions
T. Itakura,* R. Sasai, and H. Itoh
[Full Text PDF(J-STAGE)]
A hydrothermal mineralization treatment for the recovery of borate and fluoroborate ions from aqueous media was investigated. The treatment enabled effective recovery of boron and fluorine and detoxified the polluted water by separating sample solution from the precipitate.
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| Web Release Date:
October 12, 2007
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| 2019-2023
Photocatalytic Preparation of Ag/TiO2 Films and Their Localized Surface Plasmon Resonance Sensing Properties
I. Tanahashi
[Full Text PDF(J-STAGE)]
SPR sensing properties of the photocatalytically prepared Ag/TiO2 film were studied. When the film was immersed in different solvents, a linear relation was observed between the localized SPR peak wavelength of the film and the refractive index of the surrounding solvents.
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| Web Release Date:
October 12, 2007
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| 2024-2038
Shape Selective Oxidative Etching and Growth of Single-Twin Plate-Like and Multiple-Twin Decahedral and Icosahedral Gold Nanocrystals in the Presence of Au Seeds under Microwave Heating
M. Tsuji,* N. Miyamae, M. Nishio, S. Hikino, and N. Ishigami
[Full Text PDF(J-STAGE)] [Supporting Information]
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Single-twin plate-like and multiple-twin decahedral and icosahedral gold nanocrystals were preferentially prepared through shape selective oxidative etching of Au seeds by AuCl4− + Cl− anions and crystal growth in the presence of Au seeds and PVP under microwave heating.
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October 12, 2007
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| 2039-2046
Direct Decomposition of NO into N2 and O2 on SrFe0.7Mg0.3O3 Perovskite Oxide
H. Iwakuni, Y. Shinmyou, H. Matsumoto, and T. Ishihara*
[Full Text PDF(J-STAGE)]
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NO direct decomposition on doped SrFeO3 perovskite oxide was investigated. It was found that substituting of Fe in SrFeO3 with a cation in a lower valence and also loading small amount of Pt were highly effective for increasing the NO decomposition activity.
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