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1

Water activity in liquid food systems: a molecular scale interpretation

Maneffa, Andy J., Stenner, Richard, Matharu, Avtar S., Clark, James H., Matubayasi, Nobuyuki, Shimizu, Seishi

Journal:

Year:

2017

Language:

english

File:

PDF, 1.26 MB

english, 2017

2

Gelation of carrageenan: Effects of sugars and polyols

Stenner, Richard, Matubayasi, Nobuyuki, Shimizu, Seishi

Journal:

Food Hydrocolloids

Year:

2016

Language:

english

File:

PDF, 578 KB

english, 2016

3

Self-diffusion coefficients for water and organic solvents at high temperatures along the coexistence curve

Yoshida, Ken, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 890 KB

english, 2008

4

Insights into the Origins of Configurational Stability of Axially Chiral Biaryl Amines with an Intramolecular N−H−N Hydrogen Bond

Hayashi, Kazuhiro, Matubayasi, Nobuyuki, Jiang, Changsheng, Yoshimura, Tomoyuki, Majumdar, Swapan, Sasamori, Takahiro, Tokitoh, Norihiro, Kawabata, Takeo

Journal:

Journal of Organic Chemistry

Year:

2010

Language:

english

File:

PDF, 1.23 MB

english, 2010

5

The effect of pressure on halothane binding to hydrated DMPC bilayers

Chau, P.-L., Tu, K.M., Liang, K.K., Todorov, I.T., Roser, S.J., Barker, Robert, Matubayasi, Nobuyuki

Journal:

Molecular Physics

Year:

2012

Language:

english

File:

PDF, 430 KB

english, 2012

6

Effect of Rotation on Vibrational Spectrum of Supercritical Water: Analysis of Dependencies on Density and Hydrogen Isotopes

YOSHIDA, Ken, MATUBAYASI, Nobuyuki, NAKAHARA, Masaru, UOSAKI, Yasuhiro

Year:

2016

File:

PDF, 1003 KB

2016

7

The mechanism of salt effects on starch gelatinization from a statistical thermodynamic perspective

Nicol, Thomas W.J., Isobe, Noriyuki, Clark, James H., Matubayasi, Nobuyuki, Shimizu, Seishi

Journal:

Food Hydrocolloids

Year:

2018

Language:

english

File:

PDF, 2.15 MB

english, 2018

8

Statistical thermodynamics of regular solutions and solubility parameters

Shimizu, Seishi, Matubayasi, Nobuyuki

Journal:

Journal of Molecular Liquids

Year:

2018

Language:

english

File:

PDF, 885 KB

english, 2018

9

An approach to the solvation free energy in terms of the distribution functions of the solute–solvent interaction energy

Nobuyuki Matubayasi, Masaru Nakahara

Journal:

Journal of Molecular Liquids

Year:

2005

Language:

english

File:

PDF, 184 KB

english, 2005

10

Nuclear magnetic resonance and molecular dynamics simulation study on the reorientational relaxation of solutes in supercritical methanol

Tsuyoshi Yamaguchi, Nobuyuki Matubayasi, Masaru Nakahara

Journal:

Journal of Molecular Liquids

Year:

2005

Language:

english

File:

PDF, 124 KB

english, 2005

11

Self-diffusion coefficients for water and organic solvents in extremely low-density supercritical states

Ken Yoshida, Nobuyuki Matubayasi, Masaru Nakahara

Journal:

Journal of Molecular Liquids

Year:

2009

Language:

english

File:

PDF, 408 KB

english, 2009

12

Preferential hydration of proteins: A Kirkwood-Buff approach

Seishi Shimizu, Nobuyuki Matubayasi

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 132 KB

english, 2006

13

Computation of the reduction free energy of coenzyme in aqueous solution by the QM/MM-ER method

Hideaki Takahashi, Hajime Ohno, Ryohei Kishi, Masayoshi Nakano, Nobuyuki Matubayasi

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 369 KB

english, 2008

14

Free-energy change of inserting halothane into different depths of a hydrated DMPC bilayer

P.-L. Chau, K.-M. Tu, K.K. Liang, S.L. Chan, Nobuyuki Matubayasi

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 539 KB

english, 2008

15

End-point calculation of solvation free energy of amino-acid analogs by molecular theories of solution

Yasuhito Karino, Maxim V. Fedorov, Nobuyuki Matubayasi

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 229 KB

english, 2010

16

Chemical equilibrium of formaldehyde and methanediol in hot water: Free-energy analysis of the solvent effect

Nobuyuki Matubayasi, Saiko Morooka, Masaru Nakahara, Hideaki Takahashi

Journal:

Journal of Molecular Liquids

Year:

2007

Language:

english

File:

PDF, 284 KB

english, 2007

17

Structure and dynamics of water: from ambient to supercritical

Masaru Nakahara, Nobuyuki Matubayasi, Chihiro Wakai, Yasuo Tsujino

Journal:

Journal of Molecular Liquids

Year:

2001

Language:

english

File:

PDF, 682 KB

english, 2001

18

Hydration property of globular proteins: An analysis of solvation free energy by energy representation method

Hiroaki Saito, Nobuyuki Matubayasi, Kiyoshi Nishikawa, Hidemi Nagao

Journal:

Chemical Physics Letters

Year:

2010

Language:

english

File:

PDF, 438 KB

english, 2010

19

Which carbon oxide is more soluble? Ab initio study on carbon monoxide and dioxide in aqueous solution

Hirofumi Sato, Nobuyuki Matubayasi, Masaru Nakahara, Fumio Hirata

Journal:

Chemical Physics Letters

Year:

2000

Language:

english

File:

PDF, 118 KB

english, 2000

20

Free-Energy and Structural Analysis of Ion Solvation and Contact Ion-Pair Formation of Li + with BF 4– and PF 6– in Water and Carbonate Solvents

Takeuchi, Munetaka, Matubayasi, Nobuyuki, Kameda, Yasuo, Minofar, Babak, Ishiguro, Shin-ichi, Umebayashi, Yasuhiro

Journal:

Journal of Physical Chemistry B

Year:

2012

Language:

english

File:

PDF, 2.85 MB

english, 2012

21

Rotational dynamics of water and benzene controlled by anion field in ionic liquids: 1-butyl-3-methylimidazolium chloride and hexafluorophosphate

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

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 369 KB

english, 2007

22

Communication: Free-energy analysis of hydration effect on protein with explicit solvent: Equilibrium fluctuation of cytochrome c

Karino, Yasuhito, Matubayasi, Nobuyuki

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 410 KB

english, 2011

23

Frequency-Domain Investigation of the Ionic Mobility of Triflate Salts in Tetrahydrofuran

Yamaguchi, Tsuyoshi, Yamada, Yukihiro, Matsuoka, Tatsuro, Koda, Shinobu, Yasaka, Yoshiro, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.21 MB

english, 2011

24

Protein hydration and unfolding – insights from experimental partial specific volumes and unfolded protein models

Lynne Reed Murphy, Nobuyuki Matubayasi, Vilia A Payne, Ronald M Levy

Journal:

Folding and Design

Year:

1998

Language:

english

File:

PDF, 152 KB

english, 1998

25

Solvation shell dynamics studied by molecular dynamics simulation in relation to the translational and rotational dynamics of supercritical water and benzene

Yoshida, Ken, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 475 KB

english, 2007

26

Kinetic and Equilibrium Study on Formic Acid Decomposition in Relation to the Water-Gas-Shift Reaction

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

Journal:

Journal of Physical Chemistry A

Year:

2006

Language:

english

File:

PDF, 160 KB

english, 2006

27

Hydrothermal C−C Bond Formation and Disproportionation of Acetaldehyde with Formic Acid

Morooka, Saiko, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Journal of Physical Chemistry A

Year:

2008

Language:

english

File:

PDF, 180 KB

english, 2008

28

Side-Chain Conformational Thermodynamics of Aspartic Acid Residue in the Peptides and Achatin-I in Aqueous Solution

Kimura, Tomohiro, Matubayasi, Nobuyuki, Nakahara, Masaru

Journal:

Biophysical Journal

Year:

2004

Language:

english

File:

PDF, 334 KB

english, 2004

29

Hydration structure around CO2 captured in aqueous amine solutions observed by high energy X-ray scattering

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

Journal:

International Journal of Greenhouse Gas Control

Year:

2011

Language:

english

File:

PDF, 1.20 MB

english, 2011

30

NMR Study on the Binding of Neuropeptide Achatin-I to Phospholipid Bilayer: The Equilibrium, Location, and Peptide Conformation

Kimura, Tomohiro, Okamura, Emiko, Matubayasi, Nobuyuki, Asami, Koji, Nakahara, Masaru

Journal:

Biophysical Journal

Year:

2004

Language:

english

File:

PDF, 350 KB

english, 2004

31

Solvent Effect on Pathways and Mechanisms for d -Fructose Conversion to 5-Hydroxymethyl-2-furaldehyde: In Situ 13 C NMR Study

Kimura, Hiroshi, Nakahara, Masaru, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 1.57 MB

english, 2013

32

Free-energy analysis of the electron-density fluctuation in the quantum-mechanical/molecular-mechanical simulation combined with the theory of energy representation

Matubayasi, Nobuyuki, Takahashi, Hideaki

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 870 KB

english, 2012

33

The Hofmeister series and protein-salt interactions

Shimizu, Seishi, McLaren, William M., Matubayasi, Nobuyuki

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 402 KB

english, 2006

34

NMR-NOE and MD Simulation Study on Phospholipid Membranes: Dependence on Membrane Diameter and Multiple Time Scale Dynamics

Shintani, Megumi, Yoshida, Ken, Sakuraba, Shun, Nakahara, Masaru, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry B

Year:

2011

Language:

english

File:

PDF, 1.47 MB

english, 2011

35

Anion-Dependence of Fast Relaxation Component in Na-, K-Halide Solutions at Low Concentrations Measured by High-Resolution Microwave Dielectric Spectroscopy

Mogami, George, Miyazaki, Takashi, Wazawa, Tetsuichi, Matubayasi, Nobuyuki, Suzuki, Makoto

Journal:

Journal of Physical Chemistry A

Year:

2013

Language:

english

File:

PDF, 2.54 MB

english, 2013

36

Density effect on infrared spectrum for supercritical water in the low- and medium-density region studied by molecular dynamics simulation

Yoshida, Ken, Matubayasi, Nobuyuki, Uosaki, Yasuhiro, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 1001 KB

english, 2012

37

Cholesterol Location and Orientation in Aqueous Suspension of Large Unilamellar Vesicles of Phospholipid Revealed by Intermolecular Nuclear Overhauser Effect

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

Journal:

Journal of Physical Chemistry B

Year:

2008

Language:

english

File:

PDF, 222 KB

english, 2008

38

Distribution-function approach to free energy computation

Sakuraba, Shun, Matubayasi, Nobuyuki

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 588 KB

english, 2011

39

Free-energy analysis of solubilization in micelle

Matubayasi, Nobuyuki, Liang, Kuo Kan, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2006

Language:

english

File:

PDF, 507 KB

english, 2006

40

Thermodynamics of the Hydration Shell. 2. Excess Volume and Compressibility of a Hydrophobic Solute

Matubayasi, Nobuyuki, Levy, Ronald M.

Journal:

Journal of Physical Chemistry

Year:

1996

Language:

english

File:

PDF, 421 KB

english, 1996

41

A theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method

Ishikawa, Takeshi, Burri, Raghunadha Reddy, Kamatari, Yuji O., Sakuraba, Shun, Matubayasi, Nobuyuki, Kitao, Akio, Kuwata, Kazuo

Journal:

Physical Chemistry Chemical Physics

Year:

2013

Language:

english

File:

PDF, 2.49 MB

english, 2013

42

Water as an in Situ NMR Indicator for Impurity Acids in Ionic Liquids

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

Journal:

Analytical Chemistry

Year:

2009

Language:

english

File:

PDF, 171 KB

english, 2009

43

Monte Carlo Study of the Effect of Pressure on Hydrophobic Association

Payne, Vilia Ann, Matubayasi, Nobuyuki, Murphy, Lynne Reed, Levy, Ronald M.

Journal:

Journal of Physical Chemistry B

Year:

1997

Language:

english

File:

PDF, 256 KB

english, 1997

44

A new high-temperature multinuclear-magnetic-resonance probe and the self-diffusion of light and heavy water in sub- and supercritical conditions

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

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 637 KB

english, 2005

45

Free-energy analysis of lysozyme–triNAG binding modes with all-atom molecular dynamics simulation combined with the solution theory in the energy representation

Takemura, Kazuhiro, Burri, Raghunadha Reddy, Ishikawa, Takeshi, Ishikura, Takakazu, Sakuraba, Shun, Matubayasi, Nobuyuki, Kuwata, Kazuo, Kitao, Akio

Journal:

Chemical Physics Letters

Year:

2013

Language:

english

File:

PDF, 540 KB

english, 2013

46

Free-energy analysis of the molecular binding into lipid membrane with the method of energy representation

Matubayasi, Nobuyuki, Shinoda, Wataru, Nakahara, Masaru

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 679 KB

english, 2008

47

In Situ Kinetic Study on Hydrothermal Transformation of d -Glucose into 5-Hydroxymethylfurfural through d -Fructose with 13 C NMR

Kimura, Hiroshi, Nakahara, Masaru, Matubayasi, Nobuyuki

Journal:

Journal of Physical Chemistry A

Year:

2011

Language:

english

File:

PDF, 1.45 MB

english, 2011

48

Molecular dynamics study of fast dielectric relaxation of water around a molecular-sized ion

Kubota, Yoji, Yoshimori, Akira, Matubayasi, Nobuyuki, Suzuki, Makoto, Akiyama, Ryo

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 467 KB

english, 2012

49

Scaled Polynomial Expression for Self-Diffusion Coefficients for Water, Benzene, and Cyclohexane over a Wide Range of Temperatures and Densities

Yoshida, Ken, Matubayasi, Nobuyuki, Uosaki, Yasuhiro, Nakahara, Masaru

Journal:

Journal of Chemical & Engineering Data

Year:

2010

Language:

english

File:

PDF, 470 KB

english, 2010

50

Molecular Dynamics Simulations of Yeast F1-ATPase Before and after 16-Degree Rotation of the Gamma Subunit

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

Journal:

Biophysical Journal

Year:

2013

Language:

english

File:

PDF, 38 KB

english, 2013

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