@article {1440,
	title = {The effects of chloride salts of some cations on the molecular organization of H2O. Towards understanding the Hofmeister series. II},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {79},
	number = {9},
	year = {2006},
	note = {ISI Document Delivery No.: 097WCTimes Cited: 7Cited Reference Count: 42Koga, Yoshikata Katayanagi, Hideki Davies, James V. Kato, Hitoshi Nishikawa, Keiko Westh, Peter},
	month = {Sep},
	pages = {1347-1354},
	type = {Article},
	abstract = {We use the thermodynamic behaviour of I-propanol (1P) as a probe in ternary 1P-salt-H2O systems to elucidate the effect of a salt on the molecular organization of H2O. For salts, we have chosen CaCl2, NH4Cl, and (CH3)(4)NCl (TMAC). Having fixed the counter anion at Cl-, we compare here mainly the effects of chosen cations on H2O. Together with an earlier study on NaCl, we found that Ca2+, Na+, and NH4+ are hydrated by a number of H2O molecules and leave the bulk H2O away from the hydration shell unperturbed. The hydration numbers were found to be 6.4 +/- 1.6, and 1.2 +/- 0.4, for Ca2+ and NH4+, respectively with the hydration number 5.2 for Na+, the result of a simulation study, chosen as a reference. Thus, a salting out (also referred to as structure making, stabilizing, or kosmotropic) tendency would decrease in the order; Ca2+ > Na+ > NH4+. TMA(+), on the other hand, showed a more hydrophilic characteristics than the probing 1P. Thus, TMA(+) is rather chaotropic (salting in, structure breaking or destabilizing) within this methodology.},
	keywords = {AQUEOUS-SOLUTIONS, EXCESS CHEMICAL-POTENTIALS, HEAT-CAPACITIES, INTERMOLECULAR INTERACTIONS, MIXING SCHEMES, PARTIAL MOLAR ENTHALPIES, TETRAALKYLAMMONIUM HALIDES, TETRAMETHYL UREA, THERMODYNAMIC APPROACH, WATER MIXTURES},
	isbn = {0009-2673},
	url = {<Go to ISI>://000241479100004},
	author = {Koga,Yoshikata and Katayanagi, H. and Davies, J. V. and Kato, H. and Nishikawa, K. and Westh, P.}
}
@article {1202,
	title = {Effect of an "ionic liquid" cation, 1-butyl-3-methylimidazolium, on the molecular organization of H2O},
	journal = {Journal of Physical Chemistry B},
	volume = {109},
	number = {18},
	year = {2005},
	note = {ISI Document Delivery No.: 924MMTimes Cited: 46Cited Reference Count: 46},
	month = {May},
	pages = {9014-9019},
	type = {Article},
	abstract = {The excess partial molar enthalpy of 1-propanol (1P), H-1P(E), was measured at 28 \&DEG; C in the ternary mixture of 1P-1-butyl-3-methylimidazolium chloride ([bmim]Cl)-H2O in the H2O-rich composition range. From these data we evaluated what we call the 1P-1P enthalpic interaction function, H-1P-1P(E). Its changes induced by addition of (bmim]Cl of the pattern of H-1P-1P(E) were used as a probe to elucidate the effect of [bmim]Cl on the molecular organization of H2O. It was found that the effect of Cl- was not conspicuous within this methodology, and the observed dependence is predominantly due to the hydration of [bmim](+). The changes in the \&chi;(1P)-dependence of H-1P-1P(E) were compared with those brought about by temperature increase, or by the addition of fructose or glycerol. It was found that the effect of [bmim](+) is similar to that of fructose or increased temperature. We speculate that in the H2O-rich composition region a number of H2O molecules are attracted to the delocalized positive charge of the imidazolium ring and the bulk of H2O is influenced in such a manner that the global hydrogen bond probability is reduced.},
	keywords = {25-DEGREES-C, ALKANE-MONO-OLS, AQUEOUS-SOLUTIONS, fluctuations, HEXAFLUOROPHOSPHATE, MIXING SCHEMES, PARTIAL MOLAR ENTHALPIES, SOLVENTS, TERT-BUTANOL MIXTURES, WATER SOLUTIONS},
	isbn = {1520-6106},
	url = {<Go to ISI>://000228982900071},
	author = {Miki, K. and Westh, P. and Nishikawa, K. and Koga,Yoshikata}
}
@article {1227,
	title = {Hydration number of glycine in aqueous solution: An experimental estimate},
	journal = {Journal of Chemical Physics},
	volume = {123},
	number = {23},
	year = {2005},
	note = {ISI Document Delivery No.: 996ADTimes Cited: 6Cited Reference Count: 31},
	month = {Dec},
	pages = {6},
	type = {Article},
	abstract = {An experimental estimate of hydration number, N-H, of glycine in aqueous solution is given by using the calorimetric methodology developed by us earlier, which is briefly reviewed. We found N-H to be 7 +/- 0.6 for glycine presumably in the zwitter ion form, 10 +/- 1 for sodium glycinate, and 5 +/- 0.4 for glycine hydrochloride. Both glycine and sodium glycinate seem to work purely as a hydration center without altering the nature of the bulk H2O away from the hydration shell. Glycine hydrochloride, in addition to the role of hydration center, seems also to act as a typical hydrophilic species such as polyols, urea, or polyethylene glycols. Hence, the effect of the latter on H2O is of a long range, like other hydrophilic species. (c) 2005 American Institute of Physics.},
	keywords = {25-DEGREES-C, fluctuations, H2O, INTRAMOLECULAR PROTON-TRANSFER, MIXING SCHEMES, MOLECULAR-ORGANIZATION, NONELECTROLYTES, PARTIAL MOLAR ENTHALPIES, TAUTOMERIZATION, WATER},
	isbn = {0021-9606},
	url = {<Go to ISI>://000234145900026},
	author = {Parsons, M. T. and Koga,Yoshikata}
}
@article {1201,
	title = {Hydrophobicity vs hydrophilicity: Effects of poly(ethylene glycol) and tert-butyl alcohol on H2O as probed by 1-propanol},
	journal = {Journal of Physical Chemistry B},
	volume = {109},
	number = {41},
	year = {2005},
	note = {ISI Document Delivery No.: 974SQTimes Cited: 8Cited Reference Count: 33},
	month = {Oct},
	pages = {19536-19541},
	type = {Article},
	abstract = {The enthalpic interaction between 1-propanol (IP) molecules, H-1P- 1P(E), was evaluated in 1P-poly(ethleneglycol) (PEG)-H2O and 1P-tert-butyl alcohol (TBA)-H2O ternary mixtures. The model-free and experimentally accessible quantity, H-1P-1p(E), indicates the effect of an additional 1P on the actual enthalpic situation of 1P in the mixture. It was shown earlier that the composition dependence of H-1P-1P(E) reflects the process how 1P modifies H2O. This H-1P-1P(E) pattern changes in the presence of a third component, PEG or TBA. The effects of PEG or TBA on the molecular organization of H2O were elucidated from these induced changes. Together with previous similar studies for the effects of methanol (ME), 2-propanol (2P), ethylene glycol (EG), and glycerol (Gly), we suggest a method and hence a possible scaling for sorting out hydrophobicity vs hydrophilicity of these alcohols by the changes induced to the loci of the maxima in H-1P-1P(E). We show that hydrophilicity scales with the number of oxygen, regardless of whether O is the ether -O- or the hydroxyl -OH. Hydrophobicity also scales with the number of carbon atoms for alcohols without a methyl group. For those with methyl groups, the hydrophobicity seems proportional to the total number of carbon with a different proportionality factor from those without methyl group.},
	keywords = {25-DEGREES-C, ALKANE-MONO-OLS, AQUEOUS-SOLUTIONS, EXCESS CHEMICAL-POTENTIALS, GLYCEROL, HOFMEISTER SERIES, MIXING SCHEMES, MOLECULAR-ORGANIZATION, PARTIAL MOLAR ENTHALPIES, THERMODYNAMIC APPROACH},
	isbn = {1520-6106},
	url = {<Go to ISI>://000232612100072},
	author = {Miki, K. and Westh, P. and Koga,Yoshikata}
}
@article {913,
	title = {Effects of Na2SO4 and NaClO4 on the molecular organization of H2O},
	journal = {Journal of Physical Chemistry A},
	volume = {108},
	number = {10},
	year = {2004},
	note = {ISI Document Delivery No.: 801KFTimes Cited: 11Cited Reference Count: 16},
	month = {Mar},
	pages = {1635-1637},
	type = {Letter},
	abstract = {We study thermodynamic behaviors of 1-propanol (abbreviated as 1P) in ternary 1P-salt-H2O in order to elucidate the effects of salt on the molecular organization of H2O. We determine the excess partial molar enthalpy of 1P, H-1P(E), as a function of the mole fraction of 1P, x(1P), and the salt. We examine the x(1P) dependence of H-1P(E), and changes induced by the presence of salt are used to elucidate the effect of the salt on the molecular organization of H2O. We previously found that an NaCl ion pair binds 7 to 8 molecules of H2O, but has no effect on H2O outside of the hydration shell. Na2SO4 and NaClO4, on the other hand, modify the molecular organization of H2O each in different ways. In particular, ClO4- seems to participate in the hydrogen bond network of H2O and to retard the degree of fluctuation inherent in liquid H2O.},
	keywords = {25-DEGREES-C, AQUEOUS-SOLUTIONS, MIXING SCHEMES, PARTIAL MOLAR ENTHALPIES, THERMODYNAMIC APPROACH, WATER},
	isbn = {1089-5639},
	url = {<Go to ISI>://000220094100001},
	author = {Koga,Yoshikata and Westh, P. and Nishikawa, K.}
}
@article {912,
	title = {Toward understanding the Hofmeister series. 1. Effects of sodium salts of some anions on the molecular organization of H2O},
	journal = {Journal of Physical Chemistry A},
	volume = {108},
	number = {40},
	year = {2004},
	note = {ISI Document Delivery No.: 858TGTimes Cited: 18Cited Reference Count: 28},
	month = {Oct},
	pages = {8533-8541},
	type = {Article},
	abstract = {We studied a detailed thermodynamic behavior of 1-propanol (abbreviated as 1P) in mixed solvents of aqueous Na2SO4, NaOOCCH3, and NaClO4, and NaSCN. We measured the excess partial molar enthalpy of 1P, H-1P(E), in these mixed solvents at various initial salt concentrations. We then evaluated what we call the enthalpic interaction, H-1P-1P(E) = (partial derivativeH(1P)(E)/partial derivativen(1P)), where n(1P) is the amount of 1P. The composition dependence of H-1P-1P(E) changes in a characteristic manner on addition of a specific salt. This induced change in the behavior of H-1P-1P(E) is used to elucidate the effect of the salt on the molecular organization of H2O. Na+ ion seems to hydrate a number less than seven or eight molecules of H2O, leaving the bulk H2O outside the hydration shell unperturbed. SO42- also hydrates a number less than 26 H2O molecules with a concomitant increase in the degree of fluctuation of the bulk H2O. Na2SO4 as a whole hydrates the total of 26 H2O. CH3COO- ion modifies H2O in a similar manner as an alcohol. Cl- ion hydrates a number less than seven or eight H2O molecules leaving the bulk H2O in the same state as in pure H2O. NaCl as a whole hydrates the total of seven or eight molecules of H2O. ClO4- and SCN- participate in hydrogen bonding with the hydrogen bond network of H2O keeping its connectivity intact. However, they reduce the degree of fluctuation inherent in liquid H2O. Thus, each ion has its own unique manner of modifying H2O, except that ClO4- and SCN- modify H2O in almost the same way. Therefore, it seems fair to state that the phenomenological net result manifested as the Hofmeister series is due to multifacetted factors working in the holistic manner, and a single or a small number of parameters is not sufficient to explain its effect.},
	keywords = {1-PROPANOL, 25-DEGREES-C, ALKANE-MONO-OLS, AQUEOUS-SOLUTIONS, fluctuations, MIXING SCHEMES, PARTIAL MOLAR ENTHALPIES, THERMODYNAMIC APPROACH, WATER},
	isbn = {1089-5639},
	url = {<Go to ISI>://000224214100050},
	author = {Koga,Yoshikata and Westh, P. and Davies, J. V. and Miki, K. and Nishikawa, K. and Katayanagi, H.}
}
@article {634,
	title = {Chemical potential and concentration fluctuation in some aqueous alkane-mono-ols at 25 degrees C},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {81},
	number = {2},
	year = {2003},
	note = {ISI Document Delivery No.: 652JVTimes Cited: 14Cited Reference Count: 40},
	month = {Feb},
	pages = {141-149},
	type = {Article},
	abstract = {Vapour pressures of binary aqueous solutions of methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and 1-hexanol were measured at 25.00(o)C in small compositional increments over the entire compositional range. Without resorting to any fitting function, the partial pressures were calculated numerically by methods based on the Gibbs-Duhem relation. When the system had an azeotrope, near which the numerical methods caused large errors, a graphical readjustment was applied such that the concentration fluctuation, S-XX(0) = RT(1 - x(AL))/(partial derivativemu (E)(AL)/partial derivativex(AL)), connected smoothly across the azeotrope. Values of S-XX(0) from scattering experiments were also used as a guide for the readjustment procedure. Hence, we report here chemical potential data free from any model or any fitting function.},
	keywords = {1-PROPANOL, 2-PROPANOL, aqueous mono-ols, BUTANOL MIXTURES, CONCENTRATION FLUCTUATIONS, ENTROPIES, KIRKWOOD-BUFF PARAMETERS, mixing, PARTIAL MOLAR ENTHALPIES, partial pressures by the Boissonnas method, SCHEMES, TERT-BUTYL ALCOHOL, WATER-RICH REGION, X-RAY-SCATTERING},
	isbn = {0008-4042},
	url = {<Go to ISI>://000181376800003},
	author = {Hu, J. H. and Haynes, C. A. and Wu, A. H. Y. and Cheung, C. M. W. and Chen, M. M. and Yee, E. G. M. and Ichioka, T. and Nishikawa, K. and Westh, P. and Koga,Yoshikata}
}
@article {655,
	title = {Effect of ethylene glycol on the molecular organization of H2O in comparison with methanol and glycerol: A calorimetric study},
	journal = {Journal of Solution Chemistry},
	volume = {32},
	number = {9},
	year = {2003},
	note = {ISI Document Delivery No.: 742ZVTimes Cited: 8Cited Reference Count: 25},
	month = {Sep},
	pages = {803-818},
	type = {Article},
	abstract = {Excess partial molar enthalpies of ethylene glycol, H-EG(E), in binary ethylene glycol-H2O, and those of 1-propanol, H-IP(E), in ternary 1-propanol-ethylene glycol (or methanol)-H2O were determined at 25degreesC. From these data, the solute-solute interaction functions, H-EG-EG(E)=N(partial derivativeH(EG)(E)/partial derivativen(EG)) and H-1P-1P(E)=N(partial derivativeH(1P)(E)/partial derivativen(1P)), were calculated by graphical differentiation without resorting to curve fitting. Using these, together with the partial molar volume data, the effect of ethylene glycol on the molecular organization of H2O was investigated in comparison with methanol and glycerol. We found that there are three concentration regions, in each of which the mixing scheme is qualitatively different from the other regions. Mixing scheme III operative in the solute-rich region is such that the solute molecules are in a similar situation as in the pure state, most likely in clusters of its own kind. Mixing scheme II, in the intermediate region, consists of two kinds of clusters each rich in solute and in H2O, respectively. Thus, the bond percolation nature of the hydrogen bond network of liquid H2O is lost. Mixing scheme I is a progressive modification of liquid H2O by the solute, but the basic characteristics of liquid H2O are still retained. In particular, the bond percolation of the hydrogen bond network is still intact. Similar to glycerol, ethylene glycol participates in the hydrogen bond network of H2O via-OH groups, and reduces the global average of the hydrogen bond probability and the fluctuations inherent in liquid H2O. In contrast to glycerol, there is also a sign of a weak hydrophobic effect caused by ethylene glycol. However, how these hydrophobic and hydrophilic effects of ethylene glycol work together in modifying the molecular organization of H2O in mixing scheme I is yet to be elucidated.},
	keywords = {25-DEGREES-C, ALKANE-MONO-OLS, AQUEOUS-SOLUTIONS, CHEMICAL-POTENTIALS, effect on the, enthalpic interaction, enthalpy, ethylene glycol-H2O, excess partial molar, methanol-, MIXING SCHEMES, molecular organization of H2O, or glycerol-H2O, PARTIAL MOLAR ENTHALPIES, TERT-BUTANOL MIXTURES, THERMODYNAMIC APPROACH, VOLUMES, WATER},
	isbn = {0095-9782},
	url = {<Go to ISI>://000186548700004},
	author = {Koga,Yoshikata}
}
@article {476,
	title = {Interactions in 1-propanol-(1,2-and 1,3-)propanediol-H2O: The effect of hydrophobic vs hydrophilic moiety on the molecular organization of H2O},
	journal = {Journal of Physical Chemistry B},
	volume = {106},
	number = {28},
	year = {2002},
	note = {ISI Document Delivery No.: 573UETimes Cited: 9Cited Reference Count: 24},
	month = {Jul},
	pages = {7090-7095},
	type = {Article},
	abstract = {The excess partial molar enthalpy and the excess chemical potential of 1-propanol in ternary systems 1-propanol-(1,2- and 1,3-)propanediols-H2O were determined. The enthalpic interaction function between 1-propanol molecules was evaluated. The mole fraction dependence of the 1-propanol-1-propanol interaction function was used as a probe to elucidate the effect of 1,2- and 1,3-propanediols on the molecular organization of H2O. Together with the earlier similar works on 2-propanol and glycerol, we conclude that the hydrophobic moiety diminishes the hydrogen bond connectivity of H2O by reducing the hydrogen bond probability of bulk H2O, while the effect of the hydropbilic moiety is primarily to reduce the degree of fluctuation inherent in liquid H2O.},
	keywords = {25-DEGREES-C, AQUEOUS MIXTURES, CHEMICAL-POTENTIALS, MIXING SCHEMES, NON-ELECTROLYTES, NONELECTROLYTES, PARTIAL MOLAR ENTHALPIES, TERT-BUTANOL, VOLUMES, WATER-RICH REGION},
	isbn = {1520-6106},
	url = {<Go to ISI>://000176849000018},
	author = {Parsons, M. T. and Koga,Yoshikata}
}
@article {421,
	title = {Mixing schemes in ternary aqueous solutions - Thermodynamic approach},
	journal = {Journal of Thermal Analysis and Calorimetry},
	volume = {69},
	number = {3},
	year = {2002},
	note = {ISI Document Delivery No.: 604BRTimes Cited: 8Cited Reference Count: 282nd International Symposium on the New Frontiers of Thermal Studies of MaterialsNOV 25-27, 2001SUZUKAKEDAI, JAPAN},
	pages = {705-716},
	type = {Proceedings Paper},
	abstract = {The enthalpic interaction functions introduced by us earlier were evaluated in some ternary aqueous solutions. They are determined purely experimentally without resorting to any model system. From them, the pair interaction coefficients based on the virial expansion were evaluated, which will serve for a future theoretical development based on the McMillan-Mayer theory of solution. Secondly, our new methodology of using the mole fraction dependence of the enthalpic interaction function as a probe to elucidate the effect of a third component on the molecular organization is introduced. The conclusions for selected third components in ternary aqueous 1-propanol are reviewed.},
	keywords = {25-DEGREES-C, effect of selected solutes on the molecular organization of H2O, enthalpic interaction functions, ENTROPIES, EXCESS CHEMICAL-POTENTIALS, H2O, MOLECULAR-ORGANIZATION, pair interaction coefficients, PARTIAL MOLAR ENTHALPIES, ternary aqueous solutions, TERT-BUTANOL, TETRAMETHYL UREA, the, VOLUMES, WATER},
	isbn = {1418-2874},
	url = {<Go to ISI>://000178596200002},
	author = {Koga,Yoshikata}
}
@article {5109,
	title = {Mixing schemes for aqueous dimethyl sulfoxide: Support by X-ray diffraction data},
	journal = {Journal of Solution Chemistry},
	volume = {30},
	number = {10},
	year = {2001},
	note = {ISI Document Delivery No.: 505UTTimes Cited: 19Cited Reference Count: 18},
	month = {Oct},
	pages = {885-893},
	type = {Article},
	abstract = {Aqueous dimethyl sulfoxide (DMSO) was studied by X-ray diffraction at room temperature. The results indicated that there are three distinct composition regions. In the DMSO-rich region, DMSO molecules retain the same molecular arrangement as in the pure, state, while H2O does not show any structural feature. These findings are in the complete agreement with the suggestion by our earlier thermodynamic study on aqueous DMSO.((1)) In the H2O-rich region, there is an indication that DMSO molecules exist as small clusters bound mainly by S=O dipole attraction. Hence, hydrophobic CH3 groups point outward from such a cluster and DMSO acts in effect as a hydrophobic solute. This is also consistent with the findings of our earlier thermodynamic study. In the intermediate region, a gradual change in the radial distribution function with composition was observed.},
	keywords = {aqueous DMSO, DIMETHYLSULFOXIDE, intensity, LIQUID, MIXING SCHEMES, NEUTRON-DIFFRACTION, PARTIAL MOLAR ENTHALPIES, WATER MIXTURES, x-ray diffraction},
	isbn = {0095-9782},
	url = {<Go to ISI>://000172934500003},
	author = {Koga,Yoshikata and Kasahara, Y. and Yoshino, K. and Nishikawa, K.}
}
@article {5159,
	title = {A thermodynamic study of 1-propanol-glycerol-H2O at 25 degrees C: Effect of glycerol on molecular organization of H2O},
	journal = {Journal of Solution Chemistry},
	volume = {30},
	number = {11},
	year = {2001},
	note = {ISI Document Delivery No.: 514HPTimes Cited: 29Cited Reference Count: 36},
	month = {Nov},
	pages = {1007-1028},
	type = {Article},
	abstract = {The excess chemical potential, partial molar enthalpy, and volume of 1-propanol were determined in ternary mixtures of 1-propanol-glycerol-H2O at 25degreesC. The mole fraction dependence of all these thermodynamic functions was used to elucidate the effect of glycerol on the molecular organization of H2O. The glycerol molecules do not exert a hydrophobic effect on H2O. Rather, the hydroxyl groups of glycerol, perhaps by forming clusters via its alkyl backbone with hydroxyl groups pointing outward, interact with H2O so as to reduce the characteristics of liquid H2O. The global hydrogen bond probability and, hence, the percolation nature of the hydrogen bond network is reduced. In addition, the degree of fluctuation inherent in liquid H2O is reduced by glycerol perhaps by participating in the hydrogen bond network via OH groups. At infinite dilution, the pair interaction coefficients in enthalpy were evaluated and these data suggest a possibility that the interaction is mediated through H2O.},
	keywords = {1-propanol-glycerol-H2O, AQUEOUS-SOLUTIONS, CHEMICAL-POTENTIALS, effect of glycerol on H2O, enthalpy of 1-propanol, ENTROPIES, excess chemical potential, fluctuations, interactions, INTERMOLECULAR, INTERMOLECULAR INTERACTIONS, MIXING SCHEMES, partial molar, PARTIAL MOLAR ENTHALPIES, partial molar volume of 1-propanol, TERT-BUTANOL, VOLUMES, WATER},
	isbn = {0095-9782},
	url = {<Go to ISI>://000173433400005},
	author = {Parsons, M. T. and Westh, P. and Davies, J. V. and Trandum, C. and To, E. C. H. and Chiang, W. M. and Yee, E. G. M. and Koga,Yoshikata}
}
@article {4958,
	title = {Interactions in D-fructose-1-propanol-H2O: the effect of D-fructose on the molecular organization of liquid H2O},
	journal = {Fluid Phase Equilibria},
	volume = {171},
	number = {1-2},
	year = {2000},
	note = {ISI Document Delivery No.: 349EQTimes Cited: 5Cited Reference Count: 27},
	month = {May},
	pages = {151-164},
	type = {Article},
	abstract = {Densities of binary aqueous solutions of D-fructose (abbreviated as FR hereinafter) were determined in a much wider mole fraction range than available in literature. In contrast to hydrophobic solutes, the partial molar volume of FR, V-FR, does not show an initial decrease on increasing the mole fraction of FR, x(FR). In order to learn more about the effect of FR on the molecular organization of liquid H2O, the excess chemical potentials and partial molar enthalpy of 1-propanol (1P) were determined in ternary 1P-FR-H2O system. Namely, the detailed thermodynamic behaviour of 1P in the ternary system was used as a probe to elucidate the effect of FR on liquid H2O. In comparison with earlier results of the temperature dependence of tert-butanol (TBA)-TBA interaction functions, addition of FR seems to have a similar effect of temperature increase on the molecular organization of H2O. We suggest that addition of FR tends to decrease the global average of hydrogen bond probability of H2O. (C) 2000 Elsevier Science B.V. All rights reserved.},
	keywords = {25-DEGREES-C, AQUEOUS-SOLUTIONS, BUTYL ALCOHOL-SOLUTIONS, chemical potential, CHEMICAL-POTENTIALS, D-fructose-1-propanol-H2O, effect of beta-D-fructose on H2O, INTERMOLECULAR INTERACTIONS, MIXING SCHEME, PARTIAL MOLAR ENTHALPIES, partial molar enthalpy, TRANSITION, VOLUME, VOLUMES, WATER-RICH REGION},
	isbn = {0378-3812},
	url = {<Go to ISI>://000089031000011},
	author = {To, E. C. H. and Westh, P. and Trandum, C. and Hvidt, A. and Koga,Yoshikata}
}
@article {4618,
	title = {Magnetic susceptibility of aqueous tert-butanol},
	journal = {Physical Chemistry Chemical Physics},
	volume = {1},
	number = {1},
	year = {1999},
	note = {ISI Document Delivery No.: 179VLTimes Cited: 5Cited Reference Count: 27},
	month = {Jan},
	pages = {133-135},
	type = {Article},
	abstract = {Magnetic susceptibilities of aqueous tert-butanol were measured by the external double reference NMR method of Momoki and Fukazawa.(1,2) Reflecting a non-ideal volumetric behaviour of this mixture the volume susceptibility data shows a large non-ideal composition dependence. On the other hand, the molar magnetic susceptibility exhibits a small but finite deviation from ideality. Thus, an intra-molecular property, diamagnetic susceptibility, is not completely free from the effect of a non-ideal molecular arrangement in the mixture.},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, ALCOHOL-SOLUTIONS, BUTYL ALCOHOL, COMPRESSIBILITIES, EXTERNAL REFERENCING METHOD, MIXTURES, NONELECTROLYTES, PARTIAL MOLAR ENTHALPIES, REGION, WATER-RICH},
	isbn = {1463-9076},
	url = {<Go to ISI>://000079350200019},
	author = {Mizuno, K. and Ochi, T. and Shimada, S. and Nishimura, Y. and Maeda, S. and Koga,Yoshikata}
}
@article {4027,
	title = {{\textquoteright}Intermolecular interactions{\textquoteright} in aqueous solutions of three components including lysozyme},
	journal = {Fluid Phase Equilibria},
	volume = {136},
	number = {1-2},
	year = {1997},
	note = {ISI Document Delivery No.: YR149Times Cited: 5Cited Reference Count: 4614th IUPAC Conference on Chemical Thermodynamics (ICCT 97)AUG 25-30, 1996OSAKA, JAPANInt Union Pure \& Appl Chem, Sci Council Japan, Chem Soc Japan, Japan Soc Calorimetry \& Thermal Anal, Atom Energy Soc Japan},
	month = {Nov},
	pages = {207-221},
	type = {Proceedings Paper},
	abstract = {Excess partial molar enthalpies were measured in ternary aqueous solutions, tert-butyl alcohol (TBA)DMSO-H2O, and lysozyme (L)-alcohols (A)-H2O. The solute-solute interactions were evaluated as the derivatives of these data with respect to the mole fraction of a solute. In the water-rich region, where the so-called mixing scheme I is operating in binary aqueous solutions of TEA, DMSO or alcohols, two solutes in TBA-DMSO-H2O seem to modify the hydrogen bond network of H2O in an additive manner. Here, mixing scheme I refers to the way in which a solute (hydrophobic) modifies the molecular organization of H2O. Specifically, a solute enhances the hydrogen bond strength of H2O in its immediate vicinity. On the other hand, the probability of hydrogen bond in the bulk away from a solute is reduced, and it is still high enough, however, to keep the hydrogen bond network connected throughout the entire macroscopic: system. As the composition of solute increases, the hydrogen bond probability in the bulk decreases to the point at which the macroscopic bond connectivity is no longer possible. At this point, a new mixing scheme, II, sets in. For L-A-H2O mixtures at infinite dilution of L, the L-A interaction changes drastically from repulsive: to attractive at the boundary between I and II for binary aqueous alcohols. Moreover, a denatured lysozyme interacts with alcohols more strongly than the native form, and is more repulsive in mixing scheme I and more attractive in IT. This behaviour is shown to be consistent with the alcohol-dependent enthalpy of denaturation of lysozyme found by Velicelebi and Sturtevant [Velicelebi and Sturtevant, Biochem. 18 (1979) 1188-86]. (C) 1997 Elsevier Science B.V.},
	keywords = {2-BUTOXYETHANOL, BUTYL ALCOHOL, denaturation of lysozyme, enthalpy of, excess partial molar enthalpies, FREE-ENERGIES, HEAT-CAPACITIES, lysozyme-alcohols-H2O, MIXING SCHEME, PARTIAL MOLAR ENTHALPIES, SOLUTE-SOLUTE INTERACTION, TERT-BUTANOL MIXTURES, tert-butyl alcohol-DMSO-H2O, THERMAL EXPANSIVITIES, VAPOR-PRESSURES, WATER-RICH REGION},
	isbn = {0378-3812},
	url = {<Go to ISI>://000071465000020},
	author = {Koga,Yoshikata and Westh, P. and Trandum, C. and Haynes, C. A.}
}
@article {3848,
	title = {Intermolecular interactions in 2-butoxyethanol-DMSO-H2O},
	journal = {Journal of Physical Chemistry},
	volume = {100},
	number = {1},
	year = {1996},
	note = {ISI Document Delivery No.: TN839Times Cited: 15Cited Reference Count: 23},
	month = {Jan},
	pages = {433-438},
	type = {Article},
	abstract = {Excess partial molar enthalpy, H-B(E), and chemical potential, mu(B)(E), of 2-butoxyethanol (B) were determined in ternary mixtures of B, dimethyl sulfoxide (D), and H2O. The data were obtained in small enough mole fraction increments to evaluate the so-called interaction functions, partial derivative H-B(E)/partial derivative x(B), partial derivative H-B(E)/partial derivative x(D), partial derivative mu(B)(E)/partial derivative x(B), and partial derivative mu(B)E/partial derivative x(D). These interaction functions previously proved useful in elucidating the {\textquoteright}{\textquoteright}mixing schemes{\textquoteright}{\textquoteright} in binary aqueous solutions of B and D. For the binary mixtures, it was found that both B and D influenced H2O in the following manner: in the water-rich composition range (region I) within a certain threshold (x(B) < 0.0175 and x(D) < 0.28 at 25 degrees C), both solutes enhance the hydrogen-bonded network of water in their vicinity, and the mixtures retain the percolated nature of the network. At higher B or D concentrations (region II) a qualitatively different mixing scheme becomes operative. The results from this work suggest that, in the ternary mixtures, solute B and D influences the percolated hydrogen bond network of water competitively or cooperatively. The observed effects are in accordance with those characteristic of mixing scheme I in the binary mixtures, as long as the concentration of both solutes is within the threshold values. When either one of the solutes is concentrated beyond its threshold, mixing scheme II seems to set in. It was found that D diminished the positive (unfavorable) enthalpy of B-B interactions and that this effect was almost completely compensated by changes in interaction entropy. Hence, D had little net effect on the Gibbs energy of mutual B interactions, or in other words, D did not weaken the hydrophobic attraction between B molecules. Evaluation of {\textquoteright}{\textquoteright}heterogeneous{\textquoteright}{\textquoteright} B-D interactions in region I suggested that they were weaker than B-B interactions and governed by reorganization of water-water hydrogen bonding rather than interactions between specific groups in B and D. Some implications of these findings on cosolvent effects in aqueous solutions of biopolymers are discussed.},
	keywords = {AQUEOUS 2-BUTOXYETHANOL, denaturation, DIMETHYL-SULFOXIDE, LYSOZYME, MIXING SCHEME, MIXTURES, NEUTRON-DIFFRACTION, PARTIAL MOLAR ENTHALPIES, VOLUMES, WATER-RICH REGION},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1996TN83900065},
	author = {Westh, P. and Koga,Yoshikata}
}
@article {3721,
	title = {Mixing schemes in aqueous solutions of nonelectrolytes: A thermodynamic approach},
	journal = {Journal of Physical Chemistry},
	volume = {100},
	number = {13},
	year = {1996},
	note = {ISI Document Delivery No.: UC398Times Cited: 92Cited Reference Count: 77},
	month = {Mar},
	pages = {5172-5181},
	type = {Article},
	abstract = {Thermodynamic studies were carried out on aqueous solutions of some nonelectrolytes. The quantities proportional to the second derivatives of Gibbs energy were measured directly and in small increments in mole fraction or temperature. Therefore, we were able to differentiate once more with respect to mole fraction or temperature. Generally, the higher the order of the derivative, the more detailed the information it contains. Using these second and third derivatives, an attempt was made at elucidating the mixing schemes, the way in which solute and solvent H2O molecules mix with each other. For the following nonelectrolytes studied so far, 2-butoxyethanol, tert-butyl alcohol, 2-butanone, isobutyric acid, and dimethyl sulfoxide, there are separate regions in the single-phase domain of the temperature-mole fraction field, in each of which the mixing scheme is qualitatively different from those of the other regions. The details of each mixing scheme were elucidated from the behavior of the second and third derivatives of Gibbs energy. In the water-rich region (I), the effect of a solute was suggested to enhance the hydrogen bonds of H2O in the vicinity of the solute but to diminish the hydrogen bond probability of the bulk H2O away from the solute. When the hydrogen bond probability at a certain region of bulk water decreases to that of the percolation threshold, this mixing scheme is no longer operative, and mixing scheme II sets in. The transition from the mixing scheme of region I to that in region (II) was found to accompany anomalies in the third derivatives of Gibbs energy, in contrast to the normal phase transitions which are associated with anomalies in the second derivatives of Gibbs energy. In the intermediate region (II), it was suggested that the solution consists of two kinds of clusters rich in each component. In the solute-rich region (III), at least for the 2-butoxyethanol and dimethyl sulfoxide cases, the clusters of purely solute molecules exist and H2O molecules are {\textquoteright}{\textquoteright}adsorbed{\textquoteright}{\textquoteright} on the surfaces of such clusters.},
	keywords = {2-BUTOXYETHANOL WATER, BUTANOL, CORRELATION LENGTH, HEAT-CAPACITIES, KIRKWOOD-BUFF PARAMETERS, LOCAL-STRUCTURE, MIXTURES, PARTIAL MOLAR ENTHALPIES, TERT-BUTYL ALCOHOL, WATER-RICH REGION, X-RAY-SCATTERING},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1996UC39800006},
	author = {Koga,Yoshikata}
}
@article {3400,
	title = {FLUCTUATIONS IN AQUEOUS-SOLUTIONS OF SOME HYDROPHOBIC SOLUTES},
	journal = {Chemical Physics Letters},
	volume = {240},
	number = {4},
	year = {1995},
	note = {ISI Document Delivery No.: RG423Times Cited: 13Cited Reference Count: 33},
	month = {Jun},
	pages = {340-344},
	type = {Article},
	abstract = {The entropy fluctuation in liquids and solutions is most conveniently normalized to the coarse-grained volume. Hence, [(Delta S/V)(2)] = RC(p)/V-m(2) and [(Delta S/V)(Delta N/N)] = RT alpha(p)/V-m. It was shown to be useful if the response functions, C-p, kappa(T) and alpha(p), and the fluctuations derived from them, were discussed separately in contrasting the peculiar nature of liquid H2O against a typical van der Waals liquid, benzene. The composition dependence of these fluctuations was examined in aqueous solutions of typical hydrophobic solutes, 2-butoxyethanol, 2-butanone and tert-butanol. It was concluded that the above solutes reduce the hydrogen bond probability in H2O up to the crossover point of mixing scheme, x(i)(c).},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, FREE-ENERGIES, HEAT-CAPACITIES, MIXING SCHEME, PARTIAL MOLAR ENTHALPIES, TERT-BUTANOL MIXTURES, TRANSITION, VOLUMES, WATER-RICH REGION},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1995RG42300015},
	author = {Koga,Yoshikata}
}
@article {3402,
	title = {IONIC-CONDUCTIVITY IN THE WATER-RICH REGION OF AQUEOUS 2-BUTOXYETHANOL},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {73},
	number = {8},
	year = {1995},
	note = {ISI Document Delivery No.: RZ492Times Cited: 4Cited Reference Count: 22},
	month = {Aug},
	pages = {1294-1297},
	type = {Article},
	abstract = {Ionic conductivities of HCl, KOH, and KCl were measured in aqueous solutions of 2-butoxyethanol (BE) at 25 degrees C. The quantity, Lambda(j){\textquoteright} = sigma/x(j), which is almost proportional to the molar conductivity, was extrapolated to the infinite dilution x(j) {\textendash}> 0. sigma is the conductivity and x(j) is the mole fraction of j(= HCl, KOH, or KCl). The plots of (0) Lambda(j){\textquoteright}, the value of Lambda(j){\textquoteright} extrapolated to infinite dilution, against x(BE) showed a change in slope at x(BE) = 0.0175. The previous work from this laboratory indicated that the mixing scheme changes qualitatively at the same locus, x(BE) = 0.0175. By mixing scheme we simply mean the way in which BE and H2O molecules mix with each other. Assuming additivity in (0)h(j){\textquoteright} in terms of constituent ions, those values for H+OH- were calculated. Plots of (0) Lambda(H+OH-){\textquoteright} thus calculated as a function of x(BE) in the water-rich region, 0 < x(BE) < 0.0175, suggest that the hydrogen bond probability decreases in the bulk of solution, as x(BE) increases.},
	keywords = {AQUEOUS 2-BUTOXYETHANOL, BOND NETWORK, HYDROGEN, IONIC CONDUCTIVITIES, MIXING SCHEME, MIXING SCHEMES, MIXTURES, PARTIAL MOLAR ENTHALPIES, SCATTERING, TRANSITION, VOLUMES},
	isbn = {0008-4042},
	url = {<Go to ISI>://A1995RZ49200008},
	author = {Koga,Yoshikata and Loo, V. J. and Puhacz, K. T.}
}
@article {3401,
	title = {VAPOR-PRESSURES OF DILUTE AQUEOUS T-BUTYL ALCOHOL - HOW DILUTE IS THE HENRYS LAW REGION},
	journal = {Journal of Physical Chemistry},
	volume = {99},
	number = {16},
	year = {1995},
	note = {ISI Document Delivery No.: QU828Times Cited: 18Cited Reference Count: 11},
	month = {Apr},
	pages = {6231-6233},
	type = {Article},
	abstract = {Vapor pressures of aqueous t-butyl alcohol (TBA) were determined at 25 degrees C by the static method in the mole fraction range, 0.000 068 < x(TBA) < 0.006. The partial pressures of TBA, p(TBA), and those of H2O, p(W), were calculated by a numerical integration method developed by Boissonnas. It was pointed out that this method inevitably introduces errors in the first few data points from the dilute end, which will be self-corrected after several data points. Together with the data obtained for the range x(TBA) > 0.002 in the previous work (J. Phys. Chem. 1990, 94, 7700), reliable values of the excess partial molar Gibbs function of TBA, G(m)(E)(TBA), were obtained. It was concluded that at the most dilute point measured, x(TBA) 0.000 068 (m(TBA) = 0.0038 mol/kg), the solution is not yet dilute enough for Henry{\textquoteright}s law to be obeyed.},
	keywords = {25-DEGREES-C, MIXING SCHEME, PARTIAL MOLAR ENTHALPIES, TERT-BUTANOL MIXTURES, WATER},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1995QU82800069},
	author = {Koga,Yoshikata}
}
@article {3077,
	title = {ANOMALOUS X-RAY-SCATTERING FROM AQUEOUS 2-BUTOXYETHANOL AT X(BE)=0.06 NEAR FREEZING},
	journal = {Chemical Physics Letters},
	volume = {228},
	number = {1-3},
	year = {1994},
	note = {ISI Document Delivery No.: PJ977Times Cited: 5Cited Reference Count: 31},
	month = {Sep},
	pages = {53-56},
	type = {Article},
	abstract = {{Small angle X-ray scattering was measured from aqueous 2-butoxyethanol of mole fraction x(BE) = 0.06 at 273, 278 and 298 K. Anomalously strong scattering was observed at 273 and 278 K. The scattering intensity I is proportional to s(-3) in the range s<0.06 Angstrom(-1), where s is the momentum transfer of scattering},
	keywords = {CONCENTRATION FLUCTUATIONS, CORRELATION LENGTH, KIRKWOOD-BUFF PARAMETERS, LIGHT-SCATTERING, mixing, MIXTURES, PARTIAL MOLAR ENTHALPIES, SCHEME, TERT-BUTYL ALCOHOL, TRANSITION, WATER-RICH REGION},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1994PJ97700008},
	author = {Koga,Yoshikata and Nishikawa, K. and Yoshino, K. and Tanaka, I. and Xu, Y. N. and Amemiya, Y.}
}
@article {3078,
	title = {MIXING SCHEMES AND LIQUID-SOLID PHASE-DIAGRAM IN THE WATER-RICH REGION OF AQUEOUS 2-BUTOXYETHANOL},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {67},
	number = {9},
	year = {1994},
	note = {ISI Document Delivery No.: PM797Times Cited: 11Cited Reference Count: 28},
	month = {Sep},
	pages = {2393-2397},
	type = {Article},
	abstract = {Liquid-solid phase diagram was determined in the water-rich region of aqueous 2-butoxyethanol. A solid addition compound was suggested with the composition x(BE)add = 0.0260, which melts incongruently at 269.5 K. The mixing scheme boundary separating two regions in the single liquid phase domain (Chem. Phys. Lett., 217, 245 (1994) was found to cross the incongruent melting point of the above solid addition compound.},
	keywords = {BEHAVIOR, COEFFICIENTS, LIGHT-SCATTERING, MIXTURES, PARTIAL MOLAR ENTHALPIES, TEMPERATURES, TRANSITION, VOLUMES},
	isbn = {0009-2673},
	url = {<Go to ISI>://A1994PM79700008},
	author = {Koga,Yoshikata and Tanaka, T. and Atake, T. and Westh, P. and Hvidt, A.}
}
@article {2830,
	title = {EXCESS THERMODYNAMIC PROPERTIES OF MIXTURES OF 2-BUTOXYETHANOL AND WATER AT 25-DEGREES-C},
	journal = {Thermochimica Acta},
	volume = {228},
	year = {1993},
	note = {ISI Document Delivery No.: MT067Times Cited: 5Cited Reference Count: 11},
	month = {Nov},
	pages = {39-46},
	type = {Article},
	abstract = {Available measurements of thermodynamic properties (enthalpy, Gibbs free energy and volume) of mixtures of water with 2-butoxyethanol at 25-degrees-C are discussed, with emphasis on the concentration dependence of the excess functions, and on the role played by water. The data support the view that in the water-rich concentration range the nonpolar groups of the alcohol molecules introduce labile, highly cooperative, energy-low structures in water. At lower water concentrations, exposure of nonpolar groups to water appears to be minimized by formation of micellar-like alcohol structures.},
	keywords = {PARTIAL MOLAR ENTHALPIES, SYSTEMS, TRANSITIONS},
	isbn = {0040-6031},
	url = {<Go to ISI>://A1993MT06700006},
	author = {Hvidt, A. and Koga,Yoshikata}
}
@article {7055,
	title = {VAPOR-PRESSURES OF AQUEOUS 2-BUTOXYETHANOL SOLUTIONS AT 25-DEGREES-C - TRANSITIONS IN MIXING SCHEME},
	journal = {Journal of Physical Chemistry},
	volume = {95},
	number = {10},
	year = {1991},
	note = {ISI Document Delivery No.: FM513Times Cited: 54Cited Reference Count: 30},
	month = {May},
	pages = {4119-4126},
	type = {Article},
	abstract = {The vapor pressures of aqueous solutions of 2-butoxyethanol (BE) were determined at 25.00-degrees-C. The partial pressures of BE and H2O and hence the excess partial molar free energies, G(m)E(i) (i = BE or H2O) were calculated by the Boissonnas method. Using the values of the excess partial molar enthalpies, H(m)E(i) (i = BE or H2O), measured previously in this laboratory (Can. J. Chem. 1989, 67, 671), the excess partial molar entropies, S(m)E(i) (i = BE or H2O), were calculated. From the concentration dependence of these excess partial molar quantities, more detailed insight into the mixing scheme became available. In particular, two boundaries were noted within the single-phase domain that separate the regions in which the thermodynamic properties and hence the mixing schemes are different. The transition in mixing scheme from the water-rich region to the intermediate region is associated with cusp or peak anomalies in the quantities that are proportional to the third derivatives of the free energy. The transition from the intermediate to the BE-rich region appears to be accompanied by jump anomalies of the fourth derivatives of the free energy.},
	keywords = {ALKOXYETHANOLS, BUTANOL MIXTURES, COMPUTER EXPERIMENTS, CORRELATION LENGTH, KIRKWOOD-BUFF PARAMETERS, PARTIAL MOLAR ENTHALPIES, SCATTERING, TERT-BUTYL ALCOHOL, VOLUMES, WATER-SYSTEMS},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1991FM51300041},
	author = {Koga,Yoshikata}
}
