KINDAI UNIVERSITY


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FUJISAWA Masao

Profile

FacultyDepartment of Biotechnological Science / Graduate School of Biology-Oriented Science and Technology
PositionProfessor
Degree
Commentator Guidehttps://www.kindai.ac.jp/meikan/894-fujisawa-masao.html
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Last Updated :2020/09/01

Education and Career

Education

  •  - 1985 , Ritsumeikan University, College of Science and Engineering
  •  - 1985 , Ritsumeikan University, Faculty of Science and Engineering
  •  - 1990 , Kinki University, Graduate School, Division of Chemistry

Research Activities

Research Areas

  • Nanotechnology/Materials, Functional solid-state chemistry
  • Life sciences, Biophysics
  • Nanotechnology/Materials, Basic physical chemistry

Research Interests

  • Biophysics, Physical Chemistry

Published Papers

  • Difference in formation mechanism of inclusion complex between configuration isomers of gallate-type catechin and β-cyclodextrin, Hirohito Ikeda, Tomonori Ohata, Miho Yukawa, Masao Fujisawa, Hatsumi Aki, Journal of Thermal Analysis and Calorimetry, Journal of Thermal Analysis and Calorimetry, 135(5), 2789 - 2795, Mar. 2019 , Refereed
  • Prediction of Thermodynamic Functions of Solvation by Dispersion-Corrected Density Functional Theory Calculations, Masao Fujisawa, Hirohito Ikeda, Tomonori Ohata, Miho Yukawa, Hatsumi Aki, Takayoshi Kimura, Journal of Chemical and Pharmaceutical Research, Journal of Chemical and Pharmaceutical Research, 8(9), 124 - 129, Sep. 2016 , Refereed
  • Improving water solubility of nateglinide by complexation of beta-cyclodextrin, Hirohito Ikeda, Yuri Fukushige, Tomonori Matsubara, Masaaki Inenaga, Mitsunobu Kawahara, Miho Yukawa, Masao Fujisawa, Eiji Yukawa, Hatsumi Aki, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 123(3), 1847 - 1850, Mar. 2016 , Refereed
    Summary:Inclusion complex of anionic nateglinide (NTG) with beta-cyclodextrin (beta CD) has been prepared to improve the water solubility of NTG. The mechanism of the complexation was elucidated using isothermal titration calorimetry and molecular modeling study. The solubility of NTG increased linearly with increasing the concentration of beta CD and decreased gradually over 6 mM beta CD in the solution. The maximum solubility of NTG in the presence of beta CD was nine times more than that of NTG only. The stoichiometry (n), association constant (K), and thermodynamic parameters (Delta G, Delta H, Delta S) for the complexation were estimated: n = 1.0, K = 5.8 x 10(3) M-1, Delta G = -21.5 kJ mol(-1), Delta H = -15.7 kJ mol(-1), and Delta S = 19.5 J mol(-1) K-1 at pH 7.0 and 298.15 K. The conformations and solvation energies for two types of the inclusion complex, type A penetrating the isopropyl cyclohexyl group of NTG into the beta CD cavity and type B penetrating the phenyl group of NTG, were calculated. It was indicated that anionic NTG could strongly form the inclusion complex of type A complex with beta CD at 1:1 molar ratio to increase the solubility in aqueous solution.
  • Thermodynamic Quantities of Aqueous Solutions and Mixtures of Solvent, FUJISAWA Masao, 42(3), 97 - 103, 2015 , Refereed
  • Drug-tea polyphenol interaction: Incompatibility between oral solution of antipsychotic propericiazine and green tea drink, Hirohito Ikeda, Yukiko Sano, Tomonori Matsubara, Mitsunobu Kawahara, Miho Yukawa, Masao Fujisawa, Eiji Yukawa, Hatsumi Aki, Journal of Thermal Analysis and Calorimetry, Journal of Thermal Analysis and Calorimetry, 113(3), 1135 - 1138, Sep. 2013 , Refereed
    Summary:Propericiazine (PCZ) is an antipsychotic agent used for the treatment and the prevention of relapse of schizophrenia. We found that when an oral solution containing PCZ was mixed with a green tea drink, the residual content of PCZ was reduced by forming an insoluble complex between PCZ and tea polyphenol. In this study, the mechanism underlying the incompatibility of PCZ with green tea polyphenol (GTP) in the solution was clarified by isothermal titration microcalorimetry (ITC). Both solutions of 27.4 mM PCZ and 2.2 mM (-)-epigallocatechin gallate (EGCg), which is a main ingredient of GTP, were mixed and then PCZ in the filtrate was reduced to approximately 60 %. According to measurement at 298 K by ITC, PCZ formed an insoluble complex with EGCg at an associate constant (K) of 4.75 × 102 M-1 exothermically, ΔH = -40.0 kJ mol-1. When (-)-epicatechin gallate (ECg) was used as the GTP, PCZ interacted with ECg with K and ΔH values of 3.74 × 102 M-1 and -22.1 kJ mol -1, respectively. On the other hand, little heat of the reaction between PCZ and (-)-epigallocatechin or (-)-epicatechin was observed. The results indicated that the main reason for this incompatibility was the formation of an insoluble complex by PCZ and a gallate-type GTP such as EGCg and ECg in the aqueous solution. © 2013 Akadémiai Kiadó, Budapest, Hungary.
  • Interaction energy analysis for drug-cyclodextrin inclusion complexes in aqueous solutions, Masao Fujisawa, Takanobu Yasukuni, Hirohito Ikeda, Miho Yukaw, Hatsumi Aki, Takayoshi Kimura, Journal of Applied Solution Chemistry and Modeling, Journal of Applied Solution Chemistry and Modeling, 1(2), 132 - 138, Dec. 2012 , Refereed
  • Thermodynamic properties of inclusion complexes of alpha-cyclodextrin plus aliphatic nitriles (H(CH2)(n) CN: n=1-8) in aqueous solution, Takayoshi Kimura, Takashi Yukiyama, Masao Fujisawa, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 108(2), 695 - 704, May 2012 , Refereed
    Summary:In order to investigate the contribution of the hydrophilic parts of guest molecules of aliphatic complexes to the inclusion reaction, the thermodynamic properties of inclusion complexes of cyclodextrin (alpha-CD) with aliphatic nitriles [H(CH2) (n) CN: n = 1-8] into the alpha-CD cavity in dilute aqueous solutions were measured by a micro-calorimeter at 298.15 K. The thermodynamic properties of inclusion for the octane nitrile system were different from those of others. The inclusion process of aliphatic nitriles to alpha-CD has two kinds of major driving force of enthalpy and entropy driven inclusion. The interaction energies of inclusion complexes of alpha-CD and aliphatic nitriles were determined by DFT calculation (B3LYP/6-31++G (d,p)) in water and compared with the experimental results. DFT calculations were performed on the inclusion complexes of alpha-CD with seven nitriles of each conformer. Both the gas phase interaction and solvent effect were taken into consideration. Also non-polar interactions between aliphatic nitriles + alpha-CD in aqueous solution were calculated and herein the inclusion energy is discussed.
  • On the Relationship of the Enthalpies of Inclusion by Cyclodextrins and the Interaction Energies, Masao Fujisawa, Hirotaka Tsutsumi, Hirohito Ikeda, Miho Yukawa, Hatsumi Aki, Takayoshi Kimura, Netsu Sokutei, Netsu Sokutei, W39, 9 - 13, Jan. 2012 , Refereed
  • Enthalpy and entropy changes on molecular inclusion of pentane derivatives into alpha-cyclodextrin cavities in aqueous solutions, Takayoshi Kimura, Satoshi Fujie, Takashi Yukiyama, Masao Fujisawa, Tadashi Kamiyama, Hatsumi Aki, JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY, 70(3-4), 269 - 278, Aug. 2011 , Refereed
    Summary:In order to investigate the contribution of the hydrophilic parts of guest molecules of aliphatic compounds to the inclusion reaction, the thermodynamic properties of inclusion compounds of cyclodextrin (alpha-CD) with eight pentane derivatives into the cavity of alpha-CD in dilute aqueous solutions were measured by micro-calorimeter at 298.15 K. The thermodynamic properties of the inclusion reactions of pentane derivatives into alpha-CD were compared to the hydrophobicity and polarizability of guest molecules and discussed. The interaction energies of inclusion compounds of alpha-CD and pentane derivatives were determined by DFT calculation (B3LYP/6-31G (d,p)) in water and compared with the experimental results.
  • Prediction of solubility of practically insoluble drugs in water/ethanol solvents using non-empirical methods, Masao Fujisawa, Hirotaka Tsutsumi, Takayoshi Kimura, Journal of Chemical and Pharmaceutical Research, Journal of Chemical and Pharmaceutical Research, 3(3), 750 - 758, May 2011 , Refereed
  • Excess enthalpies of binary mixtures of ortho-, meta-, para-structural isomers containing aliphatic group, Hongli Liu, Satoko Kido, Tadashi Kamiyama, Masao Fujisawa, Takayoshi Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 102(3), 1123 - 1133, Dec. 2010
    Summary:To obtain further systematic information for the isomer systems, the excess molar enthalpies for binary (o + m), (o + p), (m + p)-isomers of methoxymethylbenzene, ethylmethylbenzene, diethylbenzene, chloromethylbenzene, tolunitrile and fluorobenzonitrile, tolylacetonitrile were measured at 298.15 K. In this article, the results are discussed and compared with those of previous works. The excess enthalpies of binary systems in different solid and liquid states were measured when the pure component of o-/m-tolunitrile, fluorobenzonitrile was titrated into the prior (o + p) or (m + p) mixtures. A series calculation for the interaction energies (IE) between the isomers was carried out for the pair molecules by ab initio MO of Gaussian 09. Correlations between the excess enthalpies at a molar fraction of x = 0.5 and the intermolecular energy are discussed.
  • Excess enthalpies for binary mixtures of o-xylene +o-disubstituted isomers, FUJISAWA Masao, Netsu Sokutei, Netsu Sokutei, 37(3), 96 - 103, Sep. 2010 , Refereed
  • Calorimetric study on inclusion of some alcohols into alpha-cyclodextrin cavities - Molecular mechanical calculation of hydration Gibbs energies, T. Kimura, M. Fujisawa, Y. Nakano, T. Kamiyama, T. Otsu, M. Maeda, S. Takagi, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 90(2), 581 - 585, Nov. 2007 , Refereed
    Summary:The enthalpies of transfer 2-propanol, 1,2-butanediol (BD) and 1-hexanol from aqueous to aqueous a-cyclodextrin (CD) solutions have been determined by microcalorimetry at various mole fractions at 298.15 K. To clarify stabilities of inclusion complexes in aqueous solutions, hydration Gibbs energies calculation of inclusion complex of CD-alcohol were performed by using the molecular mechanics with the MMFF94s force field in the generalized bom/surface area (GB/SA) model. The largest stabilization in Gibbs energy is obtained by the hydration (Delta H-hyd) of alpha-CD-1,2-butanediol complex among alpha-CD- butanediol isomers complexes.
  • Enthalpic changes on mixing two couples of S- and R-enantiomers of benzyl-(1-phenyl-ethyl)-amine, 1-phenylethylamine, 1-phenyl-ethanol, butyric acid oxiranylmethyl ester, 4-methyl-[1,3]dioxolan-2-one, 2-chloro-methyloxirane and 3-hydroxyisobutyric acid methyl ester at T=298.15 K, T. Kimura, Mohammad A. Khan, Masakazu Ishii, Kana Ueda, Takanori Matsushita, Tadashi Kamiyama, Masao Fujisawa, JOURNAL OF CHEMICAL THERMODYNAMICS, JOURNAL OF CHEMICAL THERMODYNAMICS, 38(8), 1042 - 1048, Aug. 2006 , Refereed
    Summary:Enthalpies of mixing of (R)- and (S)-enantomers of liquid chiral compounds such as benzyl-(1-phenyl-ethyl)-amine (1), 1-phenylethylamine (2), 1-phenyl-ethanol (3), butyric acid oxiranylmethyl ester (4), 4-methyl-[1,3]dioxolan-2-one (5), 2-Chloromethyloxirane (6) and 3-hydroxyisobutyric acid methyl ester (7) have been measured over the whole range of mole fractions at 298.15 K, albeit very small values. Mixing of heterochiral liquids of R-1 + S-1, R-5 + S-5, and R-7 + S-7 realized enthalpic stabilization over the whole range of mole fractions, whereas that of R-2 + S-2, R-3 + S-3, R-4 + S-4, and R-6 + S-6 realized enthalpic destabilization over entire compositions. The extreme values of enthalpies of mixing and the intermolecular interaction obtained by the molecular mechanics calculations showed a linear correlation, except few the compounds measured. (c) 2005 Elsevier Ltd. All rights reserved.
  • Excess molar heat capacities of ((R)-(+)-alpha-pinene+(S)-(-)-alpha-pinene) at temperatures between 293.15-308.15 K, M Fujisawa, T Matsushita, T Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 81(1), 137 - 139, Jul. 2005
    Summary:To our knowledge, there is no published information on heat capacities of mixing two couples of S- and R-enantiomers. In order to reveal the origin of chiral discrimination, excess molar heat capacities of ((R)-(+)- alpha-pinene + (S)-(-)- alpha-pinene) were determined by using a differential scanning calorimeter at temperatures between 293.15-308.15 K. Excess molar heat capacities are decreased with increased of temperature. pi-pi interactions change with the composition dependence, on account of changes of the symmetry. From the above-mentioned reasons, it was considered that complex curves were obtained.
  • Excess enthalpies of {CH3(CH2)(n)OH, n=3-12} plus methyl methylthiomethyl sulfoxide or dimethyl sulfoxide at 298.15 K, T Kimura, T Matsushita, M Momoki, H Mizuno, N Kanbayashi, T Kamiyama, M Fujisawa, S Takagi, Y Toshiyasu, THERMOCHIMICA ACTA, THERMOCHIMICA ACTA, 424(1-2), 83 - 90, Dec. 2004 , Refereed
    Summary:Excess enthalpies of nine mixtures between methyl methylthiomethyl sulfoxide (MMTSO) or dimethyl sulfoxide (DMSO) and each of aliphatic alcohols {CH3(CH2)(n)OH, n = 3-11} have been determined at 298.15 K. All the systems show the positive enthalpies over the whole range of mole fraction. Excess enthalpies of MMTSO + alcohols are larger than that of DMSO + alcohols and increased with increasing the number of methylene groups of alcohols. The excess partial molar enthalpies at infinite dilution of butane-1-ol showed the boundary between the two linear relationships obtained between those of MMTSO or DMSO and dipole-dipole interaction of aliphatic alcohols {CH3 (CH2)(n) OH, n = 0-11}-sulfoxides. (C) 2004 Elsevier B.V. All rights reserved.
  • Enthalpy changes on mixing two couples of S- and R-enantiomers of heptane-2-ol, octane-2-ol, nonane-2-ol, 3-chloro-propane-1,2-diol, 2-methyl-1,4-butanediol at 298.15 K, Thermochimica Acta, Thermochimica Acta, 405, 129 - 139, May 2004
    Summary:Enthalpies of mixing of (R)- and (S)-enantiomers of liquid chiral compounds such as heptane-2-ol, octane-2-ol, nonane-2-ol, 3-chloropropane-1,2-diol and 2-methyl-1,4-butanediol have been measured over a range of mole fractions at 298.15 K, albeit very small values. Mixingof heterochiral liquids of heptane-2-ol, octane-2-ol, nonane-2-ol, 3-chloro-propane-1,2-diol, realized enthalpic destabilization over the wholerange of mole fractions, whereas that of 2-methyl-1,4-butanediol realized enthalpic stabilization over entire compositions. The maximum values of enthalpies of mixing and the intermolecular interaction of cohesive energy density and entropy of vaporization showed a linearcorrelation except for the compounds having two chiral centers and others.
  • Thermodynamic functions of molecular inclusion of some isomers of butanediol in gas phase into alpha- and beta-cyclodextrin cavities in aqueous solutions at 298.15 k, M Fujisawa, T Kimura, S Takagi, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 64(1), 149 - 155, 2001 , Refereed
    Summary:The enthalpies, entropies and Gibbs energies of inclusion of dl-1,3-, 1,4- and meso-2,3-butanediols into alpha- and beta -cyclodextrin cavities from ideal gas phase have been determined on the basis of newly obtained experimental data of the butanediols. The butanediol molecules are stabilised strongly in the cavities due to interactions with inner walls of the cavities. Entropies of the gaseous isomers are greatly decreased in the cavities. The largest decrease is obtained for the case of 2,3-BD. Discussions concerning the 1,4-butanediol given in the preceding paper have been changed due to the adoption of new data on the butanediols.
  • Enthalpy and entropy changes on molecular inclusion of 1,4-butanediol into α- and β-cyclodextrin cavities in aqueous solutions, Masao Fujisawa, Takayoshi Kimura, Sadao Takagi, Thermochimica Acta, Thermochimica Acta, 352-353, 121 - 126, Jul. 03 2000 , Refereed
    Summary:To determine the enthalpies and entropies of inclusion, enthalpies of dilution of dilute aqueous 1,4-butanediol (BD) solutions and those of transfer of 1,4-BD from aqueous to aqueous α- or β-cyclodextrin (CD) solutions have been determined by microcalorimetry at various mole fractions at 298.15 K. Enthalpies of inclusion of 1,4-BD molecules into α- and β-CD cavities are determined, whose values are exothermic and small. However, stabilisation of gaseous 1,4-BD molecules in the CD cavities is large. 1,4-BD molecules must change their conformations to make the closest contacts with the atoms on the wall of α-CD cavities or those on the wall of β-CD cavities and the remaining water molecules in β-CD cavities. (C) 2000 Elsevier Science B.V.
  • Enthalpy and Entropy Changes on Molecular Inclusion of 1-Butanol into α-and β-Cyclodextrin Cavities in Aqueous Solutions, Netsu Sokutei, Netsu Sokutei, 18(71), Nov. 1991 , Refereed
  • ENTHALPY AND ENTROPY CHANGES ON MOLECULAR INCLUSION OF 1,3-BUTANEDIOL INTO ALPHA-CYCLODEXTRIN AND BETA-CYCLODEXTRIN CAVITIES IN AQUEOUS-SOLUTIONS, S TAKAGI, M FUJISAWA, T KIMURA, THERMOCHIMICA ACTA, THERMOCHIMICA ACTA, 183, 289 - 297, Jul. 1991 , Refereed
    Summary:The enthalpies of transfer of 1,3-butanediol (BD) from aqueous solutions to aqueous alpha- or beta-cyclodextrin (CD) solutions have been determined by microcalorimetry at various mole fractions at 298.15 K. The enthalpy changes on inclusion of 1,3-BD in aqueous solutions determined for alpha-CD and beta-CD are exothermic and small. However, those from the ideal gas phase are large. Comparison with other alcohols shows that 1,3-BD molecules in the CD cavities must be changing their conformation according to the size of the cavities. The enthalpies of dilution of dilute aqueous CD solutions having a mole fraction smaller than 0.0015 are also determined.
  • Tight Inclusion-Complex Formation with Negative Entropy Change by 1-Hexanol Molecules into α-Cyclodextrin Cavities in Aqueous Solution, Chemistry Express, Chemistry Express, 6(93), 1991 , Refereed
  • Enthalpies of binary mixtures containing limonene plus aliphatic alcohols at 298.15 K, Takayoshi Kimura, Yuri Kosuge, Masao Fujisawa, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 129(3), 1741 - 1750, Sep. 2017 , Refereed
    Summary:Enthalpies of mixing for binary mixtures containing R-limonene and various concentrations of each of alcohols (methanol, propanol, butanol, pentanol, and hexanol) were measured at 298.15 K and compared with reported values for limonene/ethanol binary mixtures. All the systems exhibited positive values over the entire range of mole fractions. The sequence of enthalpies of mixing did not show a simple dependence on the size of the aliphatic groups of the alcohols. The experimental results were compared with the values obtained from the UNIFAC, COSMO-RS, and regular solution theories. The interaction energies of limonene + alcohols were determined by ab initio calculation (MP2/6-311(++)G(d,p)) in alcohols and compared with the experimental results. In addition, pair interaction energies were decomposed for molecular interactions within the Hartree-Fock approximation by the Morokuma method.
  • Drug-tea polyphenol interaction (II) complexation of piperazine derivatives with green tea polyphenol, Tomonori Ohata, Hirohito Ikeda, Masaaki Inenaga, Takeshi Mizobe, Miho Yukawa, Masao Fujisawa, Hatsumi Aki, THERMOCHIMICA ACTA, THERMOCHIMICA ACTA, 653, 1 - 7, Jul. 2017 , Refereed
    Summary:Complex formation between piperazine derivatives (PD) and green tea polyphenols (GTP) in an aqueous solutions and the mechanism were studied by isothermal titration microcalorimetry and molecular modeling study. Lomerizine dihydrochloride (LMZ), cetirizine dihydrochloride (CTZ) and hydroxyzine dihydrochloride (HXZ) were used as PD, and (-)-epigallocatechin gallate (EGCg) and ( -)-epigallocatechin (EGC) were used as GTP. The mixed solutions of PD (except HXZ) and EGCg were cloudy because an insoluble complex was formed, and PD remaining in the solutions were approximately 30-60%. LMZ and CTZ formed complexes with EGCg at a 2:1 molar ratio, and the thermodynamic parmeters were Delta G = - 23.9 kJ mol(-1), Delta H = -22.6 kJ mol(-1) and T Delta S = 1.3 kJ mol-1 for the LMZ-EGCg system and Delta G = -23.0 kJ mol(-1), Delta H = -21.5 kJ mol(-1) and T Delta S = 1.5 kJ mol-1 for the CTZ-EGCg system. The mixed solution of HXZ and EGCg was not cloudy, and approximately 100% of HXZ remained in the solution. On the other hand, the residual rate of PD in the solution did not decrease after mixing with EGC. No heat of the reaction was observed in HXZ-EGCg and PD-EGC systems. It was clarified that hydrogen bond formation between the nitrogen atom of the piperazine ring in a molecule of PD and the hydroxyl group of galloyl ring of an EGCg molecule played an important role in stabilization of the complexes.
  • Excess enthalpies of binary mixtures of butylamines + propanols at 298.15 K, Takayoshi Kimura, Tasunori Suzuki, Keisuke Takata, Akina Soga, Yutsa Nomoto, Tadashi Kamiyama, Yousuke Nakai, Hideo Matsui, Masao Fujisawa, Journal of Thermal Analysis and Calorimetry, Journal of Thermal Analysis and Calorimetry, 113(3), 1467 - 1474, Sep. 2013 , Refereed
    Summary:The molar excess enthalpies of eight systems of butylamines + propanols were determined at 298.15 K using a twin-microcalorimeter. All excess enthalpies were exothermic and large. An equilibrium constant K 1 expressed in terms of mole fractions and standard thermodynamic properties of formation (Δf H, Δf G, Δf S) of 1:1 complex were evaluated by ideal mixtures of monomeric molecules and their associated complexes. Concentration dependence of the FT-Raman spectrum showed systematic changes of bands. Spectroscopic considerations based on this and ab initio calculations on molecules were performed at the Mp2/6-311G(d,p) level of theory. Interaction energies between butylamine and propanol were calculated by the supermolecular and NBO methods. The results were discussed with previous results to clarify the steric and positional effect of the amino and hydroxyl group. © 2013 Akadémiai Kiadó, Budapest, Hungary.
  • Incompatibility between Propericiazine Oral Solution and Tea-Based Drink, Hirohito Ikeda, Erika Tsuji, Tomonori Matsubara, Miho Yukawa, Masao Fujisawa, Eiji Yukawa, Hatsumi Aki, CHEMICAL & PHARMACEUTICAL BULLETIN, CHEMICAL & PHARMACEUTICAL BULLETIN, 60(9), 1207 - 1211, Sep. 2012 , Refereed
    Summary:Here, we studied the incompatibility between an oral solution of propericiazine (PCZ), an antipsychotic drug, and various commercially available bottled tea-based drinks. When 0.5mL of the PCZ oral solution (10mg/mL) was mixed with 16.5mL of a tea-based drink (such as green tea, oolong tea, and black tea), the residual PCZ content declined to approximately 50% in some mixed solutions. After mixing with other tea-based drinks, the residual PCZ content declined to approximately 30%, while in others, it changed very little. The residual PCZ content declined immediately after mixing with tea-based drinks, but the rate remained almost unchanged for the next 24h. Furthermore, the pH of the mixture increased to 4.5-5.1 after the oral solution of PCZ (original pH 3.8) was diluted with various tea-based drinks. Afterwards, the pH did not change for 24h. The mixture became cloudy immediately after diluting PCZ oral solution with tea-based drinks, and the insoluble substance gradually precipitated. In order to elucidate factors responsible for the decline in the content of PCZ, a (-)-epigallocatechin gallate solution, which is a main ingredient of green tea polyphenol, was mixed with the PCZ oral solution. After mixing, the residual PCZ content declined to approximately 60-75%. On the other hand, the content of PCZ did not decline when a (-)-epigallocatechin solution was mixed with the PCZ oral solution. The results from this study demonstrated that PCZ content was reduced after dilution in tea-based drinks because of the interaction between PCZ and polyphenol with a galloyl group in tea-based drinks.
  • Enthalpy and entropy changes on molecular inclusion of pentane derivatives into α-cyclodextrin cavities in aqueous solutions, Takayoshi Kimura, Satoshi Fujie, Takashi Yukiyama, Masao Fujisawa, Tadashi Kamiyama, Hatsumi Aki, Journal of Inclusion Phenomena and Macrocyclic Chemistry, Journal of Inclusion Phenomena and Macrocyclic Chemistry, 70(3-4), 269 - 278, Aug. 2011 , Refereed
    Summary:In order to investigate the contribution of the hydrophilic parts of guest molecules of aliphatic compounds to the inclusion reaction, the thermodynamic properties of inclusion compounds of cyclodextrin (α-CD) with eight pentane derivatives into the cavity of α-CD in dilute aqueous solutions were measured by micro-calorimeter at 298.15 K. The thermodynamic properties of the inclusion reactions of pentane derivatives into α-CD were compared to the hydrophobicity and polarizability of guest molecules and discussed. The interaction energies of inclusion compounds of α-CD and pentane derivatives were determined by DFT calculation (B3LYP/6-31G (d,p)) in water and compared with the experimental results. © 2010 Springer Science+Business Media B.V.
  • Thermodynamic properties of chiral fenchones in some solutions at T=298.15 K, Hongli Liu, Satoko Kido, Tadashi Kamiyama, Masao Fujisawa, Takayoshi Kimura, JOURNAL OF CHEMICAL THERMODYNAMICS, JOURNAL OF CHEMICAL THERMODYNAMICS, 43(4), 627 - 634, Apr. 2011 , Refereed
    Summary:Excess enthalpies for binary mixtures (S-fenchone + ethanol/benzene/cyclohexane/carbon tetrachloride) were measured over the whole concentration at T = 298.15 K. The experimental results were compared with the values obtained from the UNIFAC, COSMO-RS and regular solution theory. Excess enthalpies of binary mixtures of R-fenchone and S-fenchone in ethanol, benzene, and cyclohexane solution at different specified mole fractions of fenchone have been measured under the same conditions. With the decreasing of the specified mole fraction of fenchone in different solutions, the excess enthalpies of mixing of chiral orientated solutions increased and became close to zero. Results were compared with those of chiral limonene in ethanol solution. Pair interaction energies were also investigated. (C) 2010 Elsevier Ltd. All rights reserved.
  • Enthalpic Discrimination of R- and S-Limonenes in Nonpolar Solvents at 298.15 K, Takayoshi Kimura, Satoko Kido, Tadashi Kamiyama, Masao Fujisawa, CHIRALITY, CHIRALITY, 23(1E), E98 - E104, 2011 , Refereed
    Summary:Enthalpies of mixing of R- and S-limonene in non-polar solvents in the entire range of mole fractions were measured at 298.15 K. The enthalpies of mixing were negative for all concentrations in dilute concentration, but increased by increasing the concentration of limonenes in solutions. Ultimately positive excess enthalpies were shown in high concentration. Enthalpies of mixing were compared with theoretical estimation by COSMO-RS. Chirality 23: E98-E104, 2011. (C) 2011 Wiley Periodicals, Inc.
  • Excess enthalpies of binary mixtures of ortho-, meta-, para-structural isomers containing aliphatic group, Hongli Liu, Satoko Kido, Tadashi Kamiyama, Masao Fujisawa, Takayoshi Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 102(3), 1123 - 1133, Dec. 2010 , Refereed
    Summary:To obtain further systematic information for the isomer systems, the excess molar enthalpies for binary (o + m), (o + p), (m + p)-isomers of methoxymethylbenzene, ethylmethylbenzene, diethylbenzene, chloromethylbenzene, tolunitrile and fluorobenzonitrile, tolylacetonitrile were measured at 298.15 K. In this article, the results are discussed and compared with those of previous works. The excess enthalpies of binary systems in different solid and liquid states were measured when the pure component of o-/m-tolunitrile, fluorobenzonitrile was titrated into the prior (o + p) or (m + p) mixtures. A series calculation for the interaction energies (IE) between the isomers was carried out for the pair molecules by ab initio MO of Gaussian 09. Correlations between the excess enthalpies at a molar fraction of x = 0.5 and the intermolecular energy are discussed.
  • Ab initio and DFT calculations of three-body interactions in chiral mixtures, M. Fujisawa, T. Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 99(1), 71 - 73, Jan. 2010 , Refereed
    Summary:In order to elucidate the enthalpic stabilization of a 2-methyl-1,4-butanediol system (2M14BD) and a 3-chloro-1,2-propanediol (3C12PDO) system by mixing of each (R)- and (S)-enantiomers, three-body interaction energies are obtained by PW91/6-311G** and MP2/6-311G** level calculations. The differences between homochiral interactions and heterochiral interactions in a 3C12PDO system are found. On the other hand, in 2M14BD systems, very slight differences can be observed between the three-body interaction energies of the three ternary systems. Further, the relationship between excess enthalpies and chiral interactions is discussed.
  • Excess enthalpies of binary mixtures of ortho-, meta-, and para-structural isomers, Hongli Liu, Tomoko Yamashita, Tadashi Kamiyama, Masao Fujisawa, Takayoshi Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 99(1), 95 - 103, Jan. 2010 , Refereed
    Summary:The excess molar enthalpies of 8 binary mixtures for the o-, m-, and p-isomers of fluoroiodobenzene, fluoromethoxybenzene, bromofluorobenzene, chlorofluoro-benzene, difluorobenzene, fluoromethylbenzene, fluoronitrobenzene, and aminofluoro-benzene were measured at 298.15 K. The changes of the measured enthalpies were very small. The experimental results revealed that the isomers containing two electron-acceptor groups showed the most positive excess enthalpy change, while isomers containing both one electron donor and one electron acceptor group, such as aminofluorobenzene, showed more stable and always the most negative results.
  • Calorimetric and theoretical studies on the system of {(R)-(+)-limonene plus (S)-(-)-limonene}, M. Fujisawa, S. Kido, T. Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 92(2), 395 - 398, May 2008 , Refereed
    Summary:In order to reveal the origin of chiral discrimination, excess molar heat capacities (C-P(E)) of ((R)-(+)-limonene+(S)-(-)-limonene) were determined by using a differential scanning calorimeter at temperatures between T=293.15 and 303.15 K. All C-P(E) curves show S-shape. It was inferred that randomness appears in the (S)-(-)-limonene-rich region, and that non-randomness appears in the (R)-(+)-limonene-rich region. To clarify the differences in homochiral interactions and heterochiral interactions, molecular orbital calculations were carried out.
  • Enthalpies of mixing of o- and m-isomers at 298.15 K, T. Kimura, Y. Takahashi, T. Kamiyama, M. Fujisawa, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 88(2), 587 - 595, May 2007
    Summary:Excess enthalpies (H-E) of 17 binary mixtures of o- and m-isomers of dichlorobenzene, difluorobenzene, methoxymethylbenzene, dimethylbenzene, dimethoxybenzene, aminofluorobenzene, fluoronitrobenzene, diethylbenzene, chlorofluorobenzene, fluoroiodobenzene, bromofluorobenzene, chloromethylbenzene, fluoromethylbenzene, bromomethylbenzene, iodomethylbenzene, fluoromethoxybenzene, dibromobenzene at 298.15 K were measured. All excess enthalpies measured were very small, and those of o-+m-isomers of aminofluorobenzene, dibromobenzene and iodomethylbenzene were negative but 14 other binary mixtures of isomers were positive over the whole range of mole fractions. H-E of o-+m-isomers of dimethoxybenzene showed the largest enthalpic instability and those of aminofluorobenzene showed the largest enthalpic stability. There was a correlation between dipole-dipole interaction, dipole-induced dipole interaction or entropies of vaporization and excess partial molar enthalpies at infinite dilution.
  • Excess enthalpies of binary mixtures of some propylamines plus some propanols at 298.15 K, T. Kimura, T. Kitai, T. Kamiyama, A. Fujisawa, THERMOCHIMICA ACTA, THERMOCHIMICA ACTA, 450(1-2), 91 - 95, Nov. 2006 , Refereed
    Summary:The molar excess enthalpies of 1,2- and 1,3-propanediamine + 1 - or 2-propanol and 1,2- and 1,3-propanediol + 1- or 2-propaneamine have been determined at 298.15 K using a twin-microcalorimeter for a series of runs over the whole range of mole fractions. All excess enthalpies were large exothermic, in particular, the systems of amines + propanediols were more than -5 kJ mol(-1) at the minimum. Primary or secondary alcohols and an-tines showed systematically different enthalpic behaviors. Equilibrium constant K1 expressed in terms of mole fractions and standard enthalpy of the formation of a 1: 1 complex have been evaluated by ideal mixtures of momomeric molecules and their associated complexes. (c) 2006 Elsevier B.V. All rights reserved.
  • Excess enthalpies of water+1,4-dioxane at 278.15, 298.15, 318.15 and 338.15 K, T. Suzuki, M. Fujisawa, S. Takagi, T. Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 85(3), 545 - 550, Sep. 2006 , Refereed
    Summary:The excess molar enthalpies of (1-x)water+x1,4-dioxane have been measured at four different temperatures. All the mixtures showed negative enthalpies in the range of low mole fraction but positive ones in the range of high mole fraction of 1,4-dioxane. Excess enthalpies were increased with increasing temperature except those of at 278.15 K. Partial molar enthalpies have maximum around x=0.13 and minimum around x=0.75. Three different behaviors for the concentration dependence of partial molar enthalpies were observed for all temperature. Theoretical calculations of molecular interactions of three characteristic concentrations were carried out using the molecular orbital method.
  • Studies on molecular interactions of beta-cyclodextrin and antiulcer agent, M. Fujisawa, T. Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 85(3), 589 - 591, Sep. 2006 , Refereed
    Summary:The search for the lowest energy conformation of complex {beta-cyclodextrin (beta-CD)+chlorambucil} were carried out by molecular mechanics method. Theoretical calculations of molecular interactions of complex were carried out using the molecular orbital method. The correlation between energy changes and molecular structures are discussed. The large interaction energies calculated by the molecular orbital method bears out the inclusion phenomenon.
  • Thermodynamic properties of D- and L-tartaric acid in aqueous and ethanol solution at 298.15 K, Takayoshi Kimura, Mohammed Abdullah Khan, Tadashi Kamiyama, Masao Fujisawa, JOURNAL OF CHEMICAL AND ENGINEERING DATA, JOURNAL OF CHEMICAL AND ENGINEERING DATA, 51(3), 909 - 913, May 2006 , Refereed
    Summary:Enthalpies of mixing and excess volumes of D- and L-tartaric acid in aqueous and ethanol solution were measured at 298.15 K. Excess enthalpies of mixing were observed for three different concentrations of aqueous and ethanol solutions of tartaric acid. Enthalpies of mixing were exothermic for all the concentrations in both solvents. Enthalpic stabilization on mixing was increased with decreasing concentration of tartaric acid for both solvents. Excess volumes of D- and L-tartaric acid in aqueous solution showed volume contraction on mixing, but those of D- and L-tartaric acid in ethanol solution showed volume expansion on mixing. Volume contractions of aqueous solution were increased with decreasing concentration of tartaric acid.
  • Excess molar heat capacities of (L-glutamine aqueous solution plus D-glutamine aqueous solution) at temperatures between 293.15 and 303.15 K, M Fujisawa, T Matsushita, MA Khan, T Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 82(2), 319 - 321, Nov. 2005
    Summary:Excess molar heat capacities of (L-glutamine aqueous solution+D-glutamine aqueous solution) were determined by using a differential scanning calorimeter at temperatures between 293.15 and 303.15 K. Excess molar heat capacities are all negative. Excess molar heat capacities decrease with increasing temperature.
  • High pressure NMR study of dihydrofolate reductase from a deep-sea bacterium Moritella profunda, K Hata, R Kono, M Fujisawa, R Kitahara, YO Kamatari, K Akaska, Y Xu, CELLULAR AND MOLECULAR BIOLOGY, CELLULAR AND MOLECULAR BIOLOGY, 50(4), 311 - 316, Jun. 2004
    Summary:We have investigated the effect of pressure and temperature on the structural and thermodynamic stability of a protein dihydrofolate reductase from a deep-sea bacterium Moritella profunda in its folate-bound form in the pressure range between 3 and 375 MPa and the temperature range between -5 and 30degreesC. The on-line cell variable pressure H-1 NMR spectroscopy has been used to analyze the chemical shift and signal intensity in one-dimensional 1H NMR spectra. Thermodynamic analysis based on signal intensities from protons in the core part indicates that the thermodynamic stability of Moritella profunda DHFR is relatively low over the temperature range between -5 and 30degreesC (triangleG(0)= 15.8 +/- 4.1 kJ/mol at 15degreesC), but is well adapted to the living environment of the bacterium (2degreesC and 28 MPa), with the maximum stability around 5degreesC (at 0.1 MPa) and a relatively small volume change upon unfolding (triangleV= -66 +/- 19 ml/mol). Despite the relatively low overall stability, the conformation in the core part of the folded protein remains intact up to similar to200 MPa, showing marked stability of the core of this protein.
  • Enthalpy and entropy changes on molecular inclusion of 1-heptanol into alpha- and beta-cyclodextrin cavities in aqueous solutions, M Fujisawa, T Kimura, THERMOCHIMICA ACTA, THERMOCHIMICA ACTA, 416(1-2), 51 - 54, Jun. 2004
    Summary:The enthalpies of transfer of 1-heptanol from aqueous to aqueous alpha- or beta-cyclodextrin (CD) solutions have been determined by microcalorimetry at various mole fractions at 298.15 K. 1-Heptanol greatly stabilized in enthalpy in an alpha-CD cavity, accompanying a large entropy decrease. On the other hand, the enthalpy changes on inclusion into a beta-CD cavity is too large and exothermic. This is the first case in a series of the system of beta-CD + n-alkane-1-ols. (C) 2003 Elsevier B.V. All rights reserved.
  • Enthalpic changes on mixing two couples of S- and R-enantiomers of heptane-2-ol, octane-2-ol, nonane-2-ol, 3-chloro-propane-1,2-diol, 2-methyl-1,4-butanediol at 298.15 K, T Kimura, T Matsushita, K Ueda, F Aktar, T Matsuda, T Kamiyama, M Fujisawa, THERMOCHIMICA ACTA, THERMOCHIMICA ACTA, 414(2), 209 - 214, May 2004 , Refereed
    Summary:Enthalpies of mixing of (R)- and (S)-enantiomers of liquid chiral compounds such as heptane-2-ol, octane-2-ol, nonane-2-ol, 3-chloropropane-1,2-diol and 2-methyl-1,4-butanediol have been measured over a range of mole fractions at 298.15 K, albeit very small values. Mixing of heterochiral liquids of heptane-2-ol, octane-2-ol, nonane-2-ol, 3-chloro-propane-1,2-diol, realized enthalpic destabilization over the whole range of mole fractions, whereas that of 2-methyl-1,4-butanediol realized enthalpic stabilization over entire compositions. The maximum values of enthalpies of mixing and the intermolecular interaction of cohesive energy density and entropy of vaporization showed a linear correlation except for the compounds having two chiral centers and others. (C) 2004 Elsevier B.V. All rights reserved.
  • Thermodynamic functions of 1,2-alkanediols in dilute aqueous solutions, M Fujisawa, T Matsushita, Y Matsui, K Akasaka, T Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 77(1), 225 - 231, 2004 , Refereed
    Summary:The heat capacities of binary aqueous solutions of 1,2-ethanediol, 1,2-propanediol and 1,2-butanediol were measured at temperatures ranging from 283.15 to 338.15 K by differential scanning calorimetry. The partial molar heat capacities at the infinite dilution were then calculated for the respective alkanediols. For 1,2-ethanediol or 1,2-propanediol, the partial molar heat capacities at the infinite dilution of increased with increasing temperature. In contrast, the partial molar heat capacities of 1,2-butanediol at the infinite dilution decreased with increasing temperature. Heat capacity changes by dissolution of the alkanediols were also determined. Heat capacity changes caused by the dissolution of 1,2-ethanediol or 1,2-propanediol were increase with increasing temperature. On the other hand, heat capacity changes caused by the dissolution of 1,2-butanediol are decrease with increasing temperature. Thus our results indicated that the structural changes of water caused by the dissolution of 1,2-butanediol differed from that of the two other alkanediols.
  • Enthalpies of dilution of mono-, di- and poly-alcohols in dilute aqueous solutions at 298.15 K, M Fujisawa, M Maeda, S Takagi, T Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 69(3), 841 - 848, 2002 , Refereed
    Summary:The enthalpies of dilution of aqueous solutions of methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 1-pentanol, 1-hexanol, cyclohexanol, 1,3-butanediol, 1,4-butanediol, 2,3-butanediol and poly-alcohol(cyclohexaamylose) have been determined at high dilution as a function of the mole fraction of alcohol at 298.15 K, by a rocking twin-microcalorimeter of the heat-conduction type. A smoothing equation of the enthalpies of dilution against the mole fractions of alcohols are given. The graphical comparison of experimental results with their smoothed values or literature ones, taking into account the dependence of the mole fractions, are also presented. It has been found for the aqueous solutions of shorter n-alcohols than hexanol that at very high dilution, exothermic values of molar enthalpies of dilution from a definite mole fraction of alcohols to infinite dilution with the change of mole fraction is proportional to carbon number of n-alcohols. The molar enthalpies of infinite dilution of aqueous butanediol isomers and 1-hexanol were very large. Molar enthalpies of infinite dilution of aqueous poly-alcohol (cyclohexaamylose) were endothermic.
  • The enthalpic stabilization on molecular inclusion of butanediol isomers into cyclodextrin cavities, M Fujisawa, T Kimura, S Takagi, FLUID PHASE EQUILIBRIA, FLUID PHASE EQUILIBRIA, 136(1-2), 197 - 205, Nov. 1997 , Refereed
    Summary:The enthalpy of dilution of dilute aqueous solution of meso-2,3-butanediol, x < 2 x 10(-3), and enthalpy of inclusion of meso-2,3-butanediol into alpha- and beta-cyclodextrin cavities in dilute aqueous solutions have been determined by using a rocking twin-microcalorimeter of a heat-conduction type st 298.15 K under atmospheric pressure. The enthalpies of inclusion of meso-2,3-butanediol into alpha- and beta-cyclodextrins are exothermic and smallest among three isomers, 1,3-, 1,4- and meso-2,3-butanediols. The correlation between behaviors and molecular shapes are discussed. (C) 1997 Elsevier Science B.V.

Books etc

  • CYCLODEXTRINS(Thermodynamic Functions of Molecular Recognition), POLYMERIC MATERIALS ENCYCLOPEDIA(CRC Press),   1996

Conference Activities & Talks

  • Evaluation of the Adsorption Adaptability of Activated Carbon Using Dispersion Force, FUJISAWA Masao, world academy of science engineering and technology,   2016 11
  • Elucidation of Physical Incompatibility between Antipsychotic Aripiprazole and Polyphenol Contained Tea-based Beverage, FUJISAWA Masao, International Confederation for Thermal Analysis and Calorimetry Congress 2016,   2016 08
  • Prediction of Thermodynamic Functions of Solvation by Dispersion-corrected Density Functional Theory Calculations, FUJISAWA Masao, International Confederation for Thermal Analysis and Calorimetry Congress 2016,   2016 08
  • (194) Elucidation of Physical Incompatibility between Antipsychotic Aripiprazole and Pol, FUJISAWA Masao, International Confederation for Thermal Analysis and Calorimetry Congress 2016,   2016 08
  • Incompatibility of tea-based drink for oral solution of antipsychotics, FUJISAWA Masao, The 11th European Symposium on Thermal Analysis and Calorimetry,   2014 08
  • Improving water solubility of nateglinide by complexation of cyclodextrin, FUJISAWA Masao, The 11th European Symposium on Thermal Analysis and Calorimetry,   2014 08
  • Evaluation of the adsorption adaptability of activated carbon using the thermodynamic quantity of solvation, FUJISAWA Masao, Gordon Research Conference: Green Chemistry,   2014 07
  • Studies on molecular interactions of cyclodextrin and antiulcer agent, 藤澤 雅夫, 木村 隆良, 4th International and 6th Japan-China Joint Symposium on Calorimetry and Thermal Analysis,   2005 10 , 4th International and 6th Japan-China Joint Symposium on Calorimetry and Thermal Analysis
    Summary:シクロデキストリンに包接せれることにより、溶解度の改善、バイオアベイラビリティーの向上などが期待される抗潰瘍剤クロラムブシルと、シクロデキストリンの相互作用を計算科学的手法で明らかにした(英文)。
  • Energetic Analysis for Hydration of Oligosaccharides, 藤澤 雅夫, 木村 隆良, The Third International Symposium on the New Frontiers of Thermal Studies of Materials,   2004 11 , The Third International Symposium on the New Frontiers of Thermal Studies of Materials
    Summary:オリゴ糖の水和に関する熱力学量を半経験的分子軌道法によって算出し、水和自由エネルギーと動的水和数との相関について議論した。
  • TEMPERATURE DEPENDENCE OF THE EXCESS HEAT CAPACITIES OF {x (+)-a-PINENE + (1-x) (-)-a-PINENE }, 藤澤 雅夫, 松下隆宣, 木村 隆良, 18th IUPAC Conference on Chemical Thermodynamics,   2004 08 , 18th IUPAC Conference on Chemical Thermodynamics
  • Solvation of Oligosaccharides, 藤澤 雅夫, 木村 隆良, 日本化学会第84春季年会,   2004 03 , 日本化学会第84春季年会
    Summary:α-シクロデキストリンがエントロピー主導による水和が起こり、β-CDの水和における原動力がエントロピー項とエンタルピーがほぼ等価あること、その他のオリゴ糖の水和の原動力がエンタルピーであることを明らかにした。
  • Energy approach to the solvation of cyclodextrins, 藤澤 雅夫, 木村 隆良, 第21 回シクロデキストリンシンポジウム(札幌),   2003 09 , 第21 回シクロデキストリンシンポジウム(札幌)
    Summary:半経験的ハミルトニアンを使って、α .、β .、γ . シクロデキストリン、単糖類の水和自由エネルギーを算出した。水和自由エネルギーは溶媒接触表面積よりもむしろ水和数と良い相関が得られた。
  • QSAR approach for the molecular inclusion of cyclodextrins, 藤澤 雅夫, 松下隆宣, 木村 隆良, 日本薬学会年会第123年会(長崎),   2003 03 , 日本薬学会年会第123年会(長崎)
    Summary:ゲスト分子の分散力等を算出し、シクロデキストリンの分子包接に関与する相互作用との相関を議論した。
  • Behavior of Cyclodextrin?Glycol Inclusion Complexs in Aqueous Solutions, 藤澤 雅夫, 木村 隆良, 第20回シクロデキストリンシンポジウム(千葉),   2002 09 , 第20回シクロデキストリンシンポジウム(千葉)
    Summary:水溶液中でのシクロデキストリン プロピレングリコール包接複合体の分子動力学計算を行った。シクロデキストリン空洞内でプロピレングリコールは初期構造から変化し、200ps付近ではトランスから±60°回転した構造を示す確率が大きいことが明らかになった。
  • Enthalpy and Entropy Changes on Molecular Inclusion of 1-Heptanol into α- and β-cyclodextrin Cavities in Aqueous Solutions, 藤澤 雅夫, 木村 隆良, 3rd International and 5th China-Japan joint Symposium on Calorimetry and Thermal Analysis(中国),   2002 08 , 3rd International and 5th China-Japan joint Symposium on Calorimetry and Thermal Analysis(中国)
    Summary:1?ヘプタノールがα?およびβ?シクロデキストリンに包接される際の熱力変化量をミクロ熱測定により決定した。アルキル基が短い直鎖一価アルコールのβ?シクロデキストリンへの包接ではエンタルピー変化量が正の値であったのに対して、1?ヘプタノールでは発熱を示した。分子表面と空洞内壁との接触が密になったためと考えられる。(英文)
  • Thermodynamic functions of alkanediols in dilute aqueous solutions, 藤澤 雅夫, 赤坂 一之, 松井裕矢, 木村 隆良, 松下隆宣, 日本化学会第 81 春季年会 (東京),   2002 03 , 日本化学会第 81 春季年会 (東京)
    Summary:希薄水溶液中における、 1, 2 エタンジオール、 1, 2 プロパンジオール等、 アルカンジオールの熱容量を測定した。 炭素数が 3 以上のアルカンジオールに関しては温度の上昇と共に、 熱容量が減少したが、 1, 2 エタンジオールの熱容量は温度の上昇と共に、 熱容量が増加した。 1, 2 エタンジオールの周囲に存在する水の様子が、 他のアルカンジオールのまわりに存在する水と明らかに異なっていることが明白になった。
  • Enthalpies of dilution of mono , di and poly alcohols in dilute aqueous solutions, 藤澤 雅夫, 前田宗, 高木定夫, 木村 隆良, The Second International Symposium on the New Frontiers of Thermal Studies of Materials (横浜),   2001 11 , The Second International Symposium on the New Frontiers of Thermal Studies of Materials (横浜)
    Summary:アルコール希薄水溶液の希釈エンタルピーを、 溶液の統計熱力学理論で整理することによって、 二体間、 三体間相互作用係数を算出した。 (英文)
  • Computational chemical studies on inclusion phenomena of ethylene glycol into cyclodextrin, 藤澤 雅夫, 木村 隆良, 第 19 回シクロデキストリンシンポジウム (京都),   2001 09 , 第 19 回シクロデキストリンシンポジウム (京都)
    Summary:シクロデキストリン+エチレングリコール+水系の分子動力学計算を実施することによって、 水中でエチレングリコールがシクロデキストリン空洞内壁と水素結合を形成する確率が低いことを明らかにした。
  • Correlation between thermodynamic functions of molecular inclusion into cyclo-dextrin of guest molecules and their molecular surface areas, 藤澤 雅夫, 木村 隆良, 高木定夫, 日本化学会第 79 春季年会 (神戸),   2001 03 , 日本化学会第 79 春季年会 (神戸)
    Summary:ゲスト分子の分子表面積を評価し、 シクロデキストリンによる分子包接の熱力学関数値と分子識別との相関について検討した。

Misc

  • Enthalpy and Entropy on Molecular Inclvsion of I- Heptanol in to alpha and Beta-Cyclodextrin Cavitie in Agveous Solvtions at 298, 15K, Thermochimica Acta, Volume 416, 51-54,   2004
  • Correlation between the thermodynamic functions of molecular inclusion of monohydric alcohols into cyclodextrin and their molecular surface areas, The Journal of Chemical Software, Vol. 8, No.1,   2002 , 10.2477/jchemsoft.8.1
  • Enthalpies of dilution of mono-, di- and poly-alcohols in dilute aqueous solutions at 298.15 K, M Fujisawa, M Maeda, S Takagi, T Kimura, JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 69, 3, 841, 848,   2002 , 10.1023/A:1020603922009
    Summary:The enthalpies of dilution of aqueous solutions of methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, 1-pentanol, 1-hexanol, cyclohexanol, 1,3-butanediol, 1,4-butanediol, 2,3-butanediol and poly-alcohol(cyclohexaamylose) have been determined at high dilution as a function of the mole fraction of alcohol at 298.15 K, by a rocking twin-microcalorimeter of the heat-conduction type. A smoothing equation of the enthalpies of dilution against the mole fractions of alcohols are given. The graphical comparison of experimental results with their smoothed values or literature ones, taking into account the dependence of the mole fractions, are also presented. It has been found for the aqueous solutions of shorter n-alcohols than hexanol that at very high dilution, exothermic values of molar enthalpies of dilution from a definite mole fraction of alcohols to infinite dilution with the change of mole fraction is proportional to carbon number of n-alcohols. The molar enthalpies of infinite dilution of aqueous butanediol isomers and 1-hexanol were very large. Molar enthalpies of infinite dilution of aqueous poly-alcohol (cyclohexaamylose) were endothermic.
  • Enthalpy and Entropy Changes on Molecular Inclusion of Hexanol into β-Cyclodextrin Cavities in Aqueous Solutions, 26th International Conference on Solution Chemistry,   1999
  • Enthalpy and Entropy Changes on Molecular Inclusion of 1,4-Butanediol into α-and β-Cyclodextrin Cavities in Aqueous Solutions, Second International and Fourth Japan-China Joint Symposium on Calorimetry and Thermal Analysis,   1999
  • Thermodynamic Functions of Molecular Inclusion of some Isomers of Butanediol in Gas Phase into α-and β-Cyclodextrin Cavities in Aqoeous Solutions at 298.15K, 16th Cyclodextrin Symposium, 31,   1998
  • Molecular Simulation on Inclusion Phenomena of Cyclodextrin in Aqueous Solution, 1., Journal of The Faculty of Science and Technology Kinki University, 32,   1996
  • Microcalorimetry of Molecular Inclusion of Alocohols into α-and β-Cyclodextrins in Dilute Aqveous Solutions, Bulletin of Pharmacevtical Research and Technology Institute Kinki University, 4,   1995

Research Grants & Projects

  • Thermodynamic study on heat transition of biopolymer
  • Study on Thermal Properties of Polymer
  • Study on Thermodynamic Aspects of Molecular Recognition