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51

A Novel Rotation Mechanism of F1-ATPase Based on the Water-Entropy Effect

Yoshidome, Takashi, Ito, Yuko, Matubayasi, Nobuyuki, Ikeguchi, Mitunori, Kinoshita, Masahiro

Journal:

Biophysical Journal

Year:

2012

Language:

english

File:

PDF, 43 KB

english, 2012

52

Association and Dissociation of Nonpolar Solutes in Super- and Subcritical Water

Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry B

Year:

2000

Language:

english

File:

PDF, 70 KB

english, 2000

53

Molecular Dynamics Simulations of Yeast F 1 -ATPase before and after 16° Rotation of the γ Subunit

Ito, Yuko, Yoshidome, Takashi, Matubayasi, Nobuyuki, Kinoshita, Masahiro, Ikeguchi, Mitsunori

Journal:

Journal of Physical Chemistry B

Year:

2013

Language:

english

File:

PDF, 741 KB

english, 2013

54

Ermod: Fast and versatile computation software for solvation free energy with approximate theory of solutions

Sakuraba, Shun, Matubayasi, Nobuyuki

Journal:

Journal of Computational Chemistry

Year:

2014

Language:

english

File:

PDF, 755 KB

english, 2014

55

Preferential Solvation: Dividing Surface vs Excess Numbers

Shimizu, Seishi, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 481 KB

english, 2014

56

Partial Pair Correlation Functions of Low-Density Supercritical Water Determined by Neutron Diffraction with the H/D Isotopic Substitution Method

Otomo, Toshiya, Iwase, Hiroki, Kameda, Yasuo, Matubayasi, Nobuyuki, Itoh, Keiji, Ikeda, Susumu, Nakahara, Masaru

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 123 KB

english, 2008

57

NMR Spectroscopic Evidence for an Intermediate of Formic Acid in the Water−Gas−Shift Reaction

Yoshida, Ken, Wakai, Chihiro, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 61 KB

english, 2004

58

Controlling the Equilibrium of Formic Acid with Hydrogen and Carbon Dioxide Using Ionic Liquid

Yasaka, Yoshiro, Wakai, Chihiro, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2010

Language:

english

File:

PDF, 799 KB

english, 2010

59

Energetic Origin of Proton Affinity to the Air/Water Interface

Takahashi, Hideaki, Maruyama, Kunihiro, Karino, Yasuhito, Morita, Akihiro, Nakano, Masayoshi, Jungwirth, Pavel, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 2.47 MB

english, 2011

60

Dynamic and 2D NMR Studies on Hydrogen-Bonding Aggregates of Cholesterol in Low-Polarity Organic Solvents

Giordani, Cristiano, Wakai, Chihiro, Okamura, Emiko, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry B

Year:

2006

Language:

english

File:

PDF, 140 KB

english, 2006

61

NMR Study on the Reorientational Relaxation in Supercritical Alcohols

Yamaguchi, Tsuyoshi, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 89 KB

english, 2004

62

Hydrotropy: Monomer–Micelle Equilibrium and Minimum Hydrotrope Concentration

Shimizu, Seishi, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 568 KB

english, 2014

63

Hydrothermal Carbon−Carbon Bond Formation and Disproportionations of C1 Aldehydes: Formaldehyde and Formic Acid

Morooka, Saiko, Wakai, Chihiro, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 172 KB

english, 2005

64

Enthalpy and Entropy Decomposition of Free-Energy Changes for Side-Chain Conformations of Aspartic Acid and Asparagine in Acidic, Neutral, and Basic Aqueous Solutions

Kimura, Tomohiro, Matubayasi, Nobuyuki, Sato, Hirofumi, Hirata, Fumio, Nakahara, Masaru

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 190 KB

english, 2002

65

Pressure Effect on Hydrophobic Hydration: Rotational Dynamics of Benzene

Wakai, Chihiro, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

1999

Language:

english

File:

PDF, 93 KB

english, 1999

66

Kinetic Study on Disproportionations of C1 Aldehydes in Supercritical Water: Methanol from Formaldehyde and Formic Acid

Morooka, Saiko, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 174 KB

english, 2007

67

Mechanisms and Kinetics of Noncatalytic Ether Reaction in Supercritical Water. 1. Proton-Transferred Fragmentation of Diethyl Ether to Acetaldehyde in Competition with Hydrolysis

Nagai, Yasuharu, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 260 KB

english, 2005

68

Matching-Mismatching of Water Geometry and Hydrophobic Hydration

Matubayasi, Nobuyuki

Journal:

Journal of the American Chemical Society

Year:

1994

Language:

english

File:

PDF, 820 KB

english, 1994

69

Chloride Ion Hydration and Diffusion in Supercritical Water Using a Polarizable Water Model

Kubo, Masahito, Levy, Ronald M., Rossky, Peter J., Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry B

Year:

2002

Language:

english

File:

PDF, 88 KB

english, 2002

70

Mechanisms and Kinetics of Acetaldehyde Reaction in Supercritical Water: Noncatalytic Disproportionation, Condensation, and Decarbonylation

Nagai, Yasuharu, Morooka, Saiko, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2004

Language:

english

File:

PDF, 183 KB

english, 2004

71

Slowdown of H/D Exchange Reaction Rate and Water Dynamics in Ionic Liquids: Deactivation of Solitary Water Solvated by Small Anions in 1-Butyl-3-Methyl-Imidazolium Chloride

Yasaka, Yoshiro, Wakai, Chihiro, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2007

Language:

english

File:

PDF, 55 KB

english, 2007

72

Hydration Structure of CO 2 -Absorbed 2-Aminoethanol Studied by Neutron Diffraction with the 14 N/ 15 N Isotopic Substitution Method

Kameda, Yasuo, Deguchi, Hiroshi, Furukawa, Hirotoshi, Kubota, Yoshiyuki, Yagi, Yasuyuki, Imai, Yoshihiro, Yamazaki, Noriko, Watari, Noriko, Hirata, Takuya, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 1.74 MB

english, 2014

73

Noncatalytic Hydrothermal Elimination of the Terminal d -Glucose Unit from Malto- and Cello-Oligosaccharides through Transformation to d -Fructose

Kimura, Hiroshi, Nakahara, Masaru, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry A

Year:

2012

Language:

english

File:

PDF, 2.40 MB

english, 2012

74

Comparative Study on the Properties of Hydration Water of Na- and K-Halide Ions by Raman OH/OD-stretching Spectroscopy and Dielectric Relaxation Data

Okazaki, Yuichiro, Taniuchi, Tetsuo, Mogami, George, Matubayasi, Nobuyuki, Suzuki, Makoto

Journal:

Journal of Physical Chemistry A

Year:

2014

Language:

english

File:

PDF, 1.86 MB

english, 2014

75

Mechanisms and Kinetics of Noncatalytic Ether Reaction in Supercritical Water. 2. Proton-Transferred Fragmentation of Dimethyl Ether to Formaldehyde in Competition with Hydrolysis

Nagai, Yasuharu, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2005

Language:

english

File:

PDF, 125 KB

english, 2005

76

Interaction of naphthalene derivatives with lipids in membranes studied by the 1H-nuclear Overhauser effect and molecular dynamics simulation

Shintani, Megumi, Matsuo, Yushi, Sakuraba, Shun, Matubayasi, Nobuyuki

Journal:

Physical Chemistry Chemical Physics

Year:

2012

Language:

english

File:

PDF, 3.77 MB

english, 2012

77

Interaction-component analysis of the urea effect on amino acid analogs

Karino, Yasuhito, Matubayasi, Nobuyuki

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 4.01 MB

english, 2013

78

Gelation: The Role of Sugars and Polyols on Gelatin and Agarose

Shimizu, Seishi, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry B

Year:

2014

Language:

english

File:

PDF, 270 KB

english, 2014

79

Tumbling and spinning diffusions of acetonitrile in water and organic solvents

Wakai, Chihiro, Saito, Hirokazu, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 368 KB

english, 2000

80

Structural study of supercritical water. II. Computer simulations

Matubayasi, Nobuyuki, Wakai, Chihiro, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 463 KB

english, 1999

81

A quantum chemical approach to the free energy calculations in condensed systems: The QM/MM method combined with the theory of energy representation

Takahashi, Hideaki, Matubayasi, Nobuyuki, Nakahara, Masaru, Nitta, Tomoshige

Journal:

The Journal of Chemical Physics

Year:

2004

Language:

english

File:

PDF, 358 KB

english, 2004

82

On the local and nonlocal components of solvation thermodynamics and their relation to solvation shell models

Matubayasi, Nobuyuki, Gallicchio, Emilio, Levy, Ronald M.

Journal:

The Journal of Chemical Physics

Year:

1998

Language:

english

File:

PDF, 381 KB

english, 1998

83

Super- and subcritical hydration of nonpolar solutes. I. Thermodynamics of hydration

Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 516 KB

english, 2000

84

NMR Study of Water Structure in Super- and Subcritical Conditions

Matubayasi, Nobuyuki, Wakai, Chihiro, Nakahara, Masaru

Journal:

Physical Review Letters

Year:

1997

Language:

english

File:

PDF, 118 KB

english, 1997

85

Limited Slowdown of Endocrine-Disruptor Diffusion in Confined Fluid Lipid Membranes

Okamura, Emiko, Wakai, Chihiro, Matubayasi, Nobuyuki, Sugiura, Yukio, Nakahara, Masaru

Journal:

Physical Review Letters

Year:

2004

Language:

english

File:

PDF, 918 KB

english, 2004

86

NMR Study of Water Structure in Super- and Subcritical Conditions [Phys. Rev. Lett. 78, 2573 (1997)]

Matubayasi, Nobuyuki, Wakai, Chihiro, Nakahara, Masaru

Journal:

Physical Review Letters

Year:

1997

File:

PDF, 44 KB

1997

87

Structural characteristics of yeast F1-ATPase before and after 16-degree rotation of the γ subunit: Theoretical analysis focused on the water-entropy effect

Yoshidome, Takashi, Ito, Yuko, Matubayasi, Nobuyuki, Ikeguchi, Mitunori, Kinoshita, Masahiro

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 654 KB

english, 2012

88

Reversible molecular dynamics for rigid bodies and hybrid Monte Carlo

Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

1999

Language:

english

File:

PDF, 468 KB

english, 1999

89

Erratum: “Free-energy analysis of water affinity in polymer studied by atomistic molecular simulation combined with the theory of solutions in the energy representation” [J. Chem. Phys. 137, 234903 (2012)]

Kawakami, Tomonori, Shigemoto, Isamu, Matubayasi, Nobuyuki

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 519 KB

english, 2014

90

A novel quantum mechanical/molecular mechanical approach to the free energy calculation for isomerization of glycine in aqueous solution

Takahashi, Hideaki, Kawashima, Yuko, Nitta, Tomoshige, Matubayasi, Nobuyuki

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 439 KB

english, 2005

91

Theory of solutions in the energy representation. II. Functional for the chemical potential

Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 386 KB

english, 2002

92

Structural study of supercritical water. III. Rotational dynamics

Matubayasi, Nobuyuki, Nakao, Naoko, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2001

Language:

english

File:

PDF, 342 KB

english, 2001

93

Structural study of supercritical water. I. Nuclear magnetic resonance spectroscopy

Matubayasi, Nobuyuki, Wakai, Chihiro, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

1997

Language:

english

File:

PDF, 355 KB

english, 1997

94

Theory of solutions in the energy representation. III. Treatment of the molecular flexibility

Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2003

Language:

english

File:

PDF, 448 KB

english, 2003

95

Mean-field theory of solutions: Chemical potential and solution structure in the superposition approximation

Matubayasi, Nobuyuki

Journal:

The Journal of Chemical Physics

Year:

1996

Language:

english

File:

PDF, 524 KB

english, 1996

96

Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation

Takemura, Kazuhiro, Guo, Hao, Sakuraba, Shun, Matubayasi, Nobuyuki, Kitao, Akio

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1.80 MB

english, 2012

97

Theory of solutions in the energetic representation. I. Formulation

Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2000

Language:

english

File:

PDF, 361 KB

english, 2000

98

Spatial-decomposition analysis of electrical conductivity in concentrated electrolyte solution

Tu, Kai-Min, Ishizuka, Ryosuke, Matubayasi, Nobuyuki

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 730 KB

english, 2014

99

Hydrothermal reactions of formaldehyde and formic acid: Free-energy analysis of equilibrium

Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 429 KB

english, 2005

100

Pair-correlation entropy of hydrophobic hydration: Decomposition into translational and orientational contributions and analysis of solute-size effects

Kinoshita, Masahiro, Matubayasi, Nobuyuki, Harano, Yuichi, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 482 KB

english, 2006

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