@article {2475,
	title = {High Temperature End of the So-Called "Koga Line": Anomalies in Temperature Derivatives of Heat Capacities},
	journal = {Journal of Physical Chemistry B},
	volume = {113},
	number = {17},
	year = {2009},
	note = {ISI Document Delivery No.: 438BCTimes Cited: 0Cited Reference Count: 24Koga, Yoshikata Westh, Peter Moriya, Yosuke Kawasaki, Koji Atake, Tooru},
	month = {Apr},
	pages = {5885-5890},
	type = {Article},
	abstract = {The so-called "Koga line" is a collection of the loci of anomalies in various third derivatives of the Gibbs function, G, in the temperature-mole fraction field for aqueous solutions of nonelectrolytes. This splits the H2O-rich region into two, in each of which the molecular organization and interactions-we call it mixing scheme-is qualitatively different. In this work, we attempt to locate the high temperature end of the Koga line. This is a particularly interesting range of the boundary, since its extrapolation to zero Solute concentration provides information on possible temperature induced changes in the properties of pure water. To this end, we determine semi-isobaric heat capacities of aqueous 2-butoxyethanol by adiabatic calorimetry up to a maximum of 95 degrees C. The corrections due to vaporization were not applied due to the lack of required vapor pressure and thermal expansivity data. Furthermore, we measured directly the isobaric heat capacities per molar volume for aqueous I-propanol as well as 2-butoxyethanol by differential scanning calorimetry up to 120 degrees C at 3 atm. We then took one more temperature derivative of the respective heat capacity data. The resulting third derivative quantities from the former data showed step-type anomalies, while those from the latter negative peak-type anomalies. The loci of these anomalous points seem to point to about 70 degrees C at infinite dilution.},
	keywords = {25-DEGREES-C, AQUEOUS 2-BUTOXYETHANOL, density, FLUCTUATION, METHANOL, MIXING SCHEME, PARTIAL MOLAR VOLUMES, pressure, TRANSITION, WATER-RICH REGION},
	isbn = {1520-6106},
	url = {<Go to ISI>://000265529900029},
	author = {Koga,Yoshikata and Westh, P. and Moriya, Y. and Kawasaki, K. and Atake, T.}
}
@article {911,
	title = {"Icebergs" or no "Icebergs" in aqueous alcohols?: Composition-dependent mixing schemes},
	journal = {Journal of Physical Chemistry A},
	volume = {108},
	number = {17},
	year = {2004},
	note = {ISI Document Delivery No.: 814TNTimes Cited: 22Cited Reference Count: 38},
	month = {Apr},
	pages = {3873-3877},
	type = {Article},
	abstract = {The classical concept of "iceberg formation" is modified by our recent thermodynamic studies. The local enhancement of the hydrogen-bond network of H2O in the immediate vicinity of small nonelectrolyte solutes (i.e., the "iceberg formation") is still correct. However, the hydrogen-bond probability of bulk H2O away from solutes is reduced progressively, as the solute composition increases. When the hydrogen-bond probability of bulk H2O is reduced to the bond percolation threshold of the hexagonal ice connectivity, the hydrogen-bond percolation is lost and a qualitatively different mixing scheme sets in, whereby the solution consists of two kinds of clusters. In the solute-rich region, solute molecules form Clusters of its own kind. Thus, the "iceberg, formation" is basically correct within a narrow range in the H2O-rich region for small nonelectrolyte solutes. Thus, reference made to the "iceberg" concept in recent literatures should be clarified in terms of the concentration range and the size of solute in question.},
	keywords = {2-BUTOXYETHANOL, BUTANOL, fluctuations, hydration, HYDROPHOBIC SURFACES, MIXTURES, PARTIAL MOLAR VOLUMES, TERT-BUTYL ALCOHOL, WATER-RICH REGION, X-RAY-SCATTERING},
	isbn = {1089-5639},
	url = {<Go to ISI>://000220997100023},
	author = {Koga,Yoshikata and Nishikawa, K. and Westh, P.}
}
@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 {709,
	title = {Excess chemical potentials and partial molar enthalpies in aqueous 1,2-and 1,3-propanediols at 25 degrees C},
	journal = {Journal of Solution Chemistry},
	volume = {32},
	number = {2},
	year = {2003},
	note = {ISI Document Delivery No.: 661CMTimes Cited: 4Cited Reference Count: 24},
	month = {Feb},
	pages = {137-153},
	type = {Article},
	abstract = {Excess chemical potentials and excess partial molar enthalpies of 1,2- and 1,3-propanediols ( abbreviated as 12P and 13P), mu(i)(E), and H-i(E) ( i = 12P or 13P) were determined in the respective binary aqueous solutions at 25degreesC. For both systems, the values of mu(i)(E) are almost zero, within +/-0.4 kJ-mol(-1). However, the excess partial molar enthalpies, H-i(E) show a sharp mole fraction dependence in the water-rich region. Thus, the systems are highly nonideal, in spite of almost zero mu(i)(E). Namely, the enthalpy-entropy compensation is almost complete. From the slopes of the HE i against the respective mole fraction x(i) we obtain the enthalpic interaction functions between solutes, H-i-i(E), ( i = 12P or 13P). Using these quantities and comparing them with the equivalent quantities for binary aqueous solutions of 1-propanol ( 1P), 2-propanol (2P), glycerol (Gly), and dimethyl sulfoxide ( DMSO), we conclude that there are three composition regions in each of which mixing schemes are qualitatively different. Mixing Schemes II and III, operative in the intermediate and the solute-rich regions, seem similar in all the binary aqueous solutions mentioned above. Mixing Scheme I in the water-rich region is different from solute to solute. 12P shows a behavior similar to that of DMSO, which is somewhat different from typical hydrophobic solute, 1P or 2P. 13P, on the other hand, is less hydrophobic than 12P, and shows a behavior closer to glycerol, which shows hydrophilic behavior.},
	keywords = {2-and 1, 3-propanediols, ALCOHOL, chemical potentials, ENERGIES, ENTHALPIES, ENTROPIES, H2O, interaction functions, MIXING SCHEMES, mixing schemes in aqueous 1, MOLECULAR-ORGANIZATION, NONELECTROLYTES, partial molar, TERT-BUTANOL MIXTURES, VOLUMES, WATER-RICH REGION},
	isbn = {0095-9782},
	url = {<Go to ISI>://000181873700003},
	author = {Parsons, M. T. and Lau, F. W. and Yee, E. G. M. and Koga,Yoshikata}
}
@article {656,
	title = {Excess partial molar entropy of alkane-mono-ols in aqueous solutions 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: 9Cited Reference Count: 21},
	month = {Feb},
	pages = {150-155},
	type = {Article},
	abstract = {In the preceding paper, we reported the values of model-free chemical potentials for aqueous methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and 1-hexanol at 25degreesC over the entire compositional region. Using alcohol excess partial molar enthalpies, H-AL(E), determined earlier in this laboratory (Can. J. Chem. 74, 713 (1996)), we have calculated excess partial molar entropies for the alcohols, S-AL(E), where AL stands for an alcohol. We then calculated, numerically, the entropic interaction, S-AL-AL(E) = N(partial derivativeS(AL)(E)/partial derivativen(AL))(p,T,nW), where n(AL) is the amount of AL, n(W) is the amount of H2O, and N is the total amount of solution. S-AL-AL(E) signifies the effect of addition of AL upon the entropic situation of existing AL in solution. Using these quantities, the mixing schemes in aqueous alcohols have been studied. The earlier conclusions, which used H-AL(E) and H-AL-AL(E) alone, are confirmed. Furthermore, the order of the relative hydrophobic nature of alcohols is established from the behaviour of S-AL-AL(E) and of H-AL-AL(E) as methanol < ethanol < 2-propanol < 1-propanol.},
	keywords = {2-BUTOXYETHANOL, ALCOHOL, aqueous alcohols, BUTANOL, ENTHALPIES, entropic interaction, excess partial molar entropies, hydrophobicity ranking, MIXING SCHEME, MIXING SCHEMES, MIXTURES, NONELECTROLYTES, TRANSITION, VOLUMES, WATER-RICH REGION},
	isbn = {0008-4042},
	url = {<Go to ISI>://000181376800004},
	author = {Koga,Yoshikata and Westh, P. and Nishikawa, K.}
}
@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 {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 {4889,
	title = {A thermodynamic study of aqueous acetonitrile: excess chemical potentials, partial molar enthalpies, entropies and volumes, and fluctuations},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {78},
	number = {12},
	year = {2000},
	note = {ISI Document Delivery No.: 385LGTimes Cited: 9Cited Reference Count: 24},
	month = {Dec},
	pages = {1553-1560},
	type = {Article},
	abstract = {We measured vapour pressures of aqueous acetonitrile (abbreviated as ACN) at 6, 20, and 37 degreesC, from which excess chemical potentials of ACN (mu (E)(ACN)) were calculated. We also determined excess partial molar enthalpies of ACN (H-ACN(E)) at 6, 20, 30, 37, and 45 degreesC. From these data, excess partial molar entropies of ACN (S-ACN(E)) were calculated at 6, 20, and 37 degreesC. Using density data by Benson{\textquoteright}s group, excess partial molar volumes of ACN (V-ACN(E)) were evaluated. The response function data by the same group were also used to evaluate amplitude and wavelength of mean-square fluctuations in terms of volume, entropy, and cross between volume and entropy. All the above quantities and their dependence on the mol fraction of solute, i.e., the effect of additional solute on the above quantities were used to study the effect of acetonitrile on the molecular organization of H2O. It was found that acetonitrile works as a stronger structure-making solute than methanol. Rather its effect on H2O is about the same as that of propan-1-ol.},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, aqueous acetonitrile, BUTYL ALCOHOL, fluctuations, FREE-ENERGIES, interaction functions, MIXING SCHEMES, MIXTURES, NON-ELECTROLYTES, TERT-BUTANOL, VAPOR-PRESSURES, WATER-RICH REGION},
	isbn = {0008-4042},
	url = {<Go to ISI>://000166005500003},
	author = {Nikolova, P. V. and Duff, S. J. B. and Westh, P. and Haynes, C. A. and Kasahara, Y. and Nishikawa, K. and Koga,Yoshikata}
}
@article {4686,
	title = {Excess chemical potentials, excess partial molar enthalpies, entropies, volumes, and isobaric thermal expansivities of aqueous glycerol at 25 degrees C},
	journal = {Journal of Solution Chemistry},
	volume = {28},
	number = {10},
	year = {1999},
	note = {ISI Document Delivery No.: 247VPTimes Cited: 36Cited Reference Count: 27},
	month = {Oct},
	pages = {1137-1157},
	type = {Article},
	abstract = {The vapor pressures p the excess partial molar enthalpies of glycerol He,, the densities d and the thermal expansivities oc, of aqueous glycerol were measured at 25 degrees C. From the vapor pressure data, the excess chemical potential of H2O mu(W)(E) was calculated, assuming that the partial pressure of glycerol Poly is negligibly small. The excess chemical potential of glycerol mu(Gly)(E) was estimated by applying the Gibbs-Duhem relation and these data were used to calculate the excess partial molar entropies S-Gly(E). From the density data, the excess partial molar volumes of glycerol V-Gly(E) and from the thermal expansivity data, the normalized cross fluctuations (SV)Delta, introduced by us earlier, were evaluated. While the detailed manner in which glycerol modifies the molecular arrangement of H2O in its immediate vicinity is yet to be elucidated, the hydrogen bond probability in the bulk H2O away from solute molecules is reduced gradually as the glycerol composition increases to the point where putative presence of icelike patches is no longer possible. Thereupon, a qualitatively different mixing scheme seems to set in.},
	keywords = {2-BUTOXYETHANOL, aqueous glycerol, excess partial molar enthalpies and, fluctuations, MIXING SCHEME, MIXTURES, NONELECTROLYTES, normalized cross fluctuations, PERCOLATION, PRESSURES, TERT-BUTANOL, THERMAL EXPANSIVITIES, TRANSITION, vapor pressures, VOLUMES, WATER-RICH REGION},
	isbn = {0095-9782},
	url = {<Go to ISI>://000083241900003},
	author = {To, E. C. H. and Davies, J. V. and Tucker, M. and Westh, P. and Trandum, C. and Suh, K. S. H. and Koga,Yoshikata}
}
@article {4420,
	title = {Interactions in 1-propanol-urea-H2O: Chemical potentials, partial molar enthalpies, and entropies at 25 degrees C},
	journal = {Journal of Physical Chemistry B},
	volume = {102},
	number = {52},
	year = {1998},
	note = {ISI Document Delivery No.: 153MQTimes Cited: 27Cited Reference Count: 31},
	month = {Dec},
	pages = {10958-10965},
	type = {Article},
	abstract = {The excess partial molar enthalpies of I-propanol were determined in aqueous urea solutions. The total vapor pressures of 1-propanol-urea-H2O were also measured. The numerical analysis applied in a previous paper (J. Phys. Chem. B 1998, 102, 5182) was used to calculate partial pressures and, hence, the excess chemical potentials of each component. Thus, the excess partial molar entropies of l-propanol were obtained. From these partial molar quantities, the interaction functions between a pair of solute molecules were calculated following the method developed by us ( J. Phys. Chern. B 1996, 100, 5172). All these data seem to indicate that urea molecules lock into the hydrogen bond network of H2O, keep the connectivity of hydrogen bond intact, but reduce the degree of fluctuation that is characteristic of liquid water. I-Propanol molecules modify the hydrogen bond network in the same manner with or without urea, and hence the same amount of 1-propanol is required to break down the connectivity, i.e., the loss of hydrogen bond percolation. However, the H2O-mediated interaction between l-propanol solutes is weakened since the hydrogen bond fluctuation responsible for such an interaction is reduced by the presence of urea.},
	keywords = {AQUEOUS-SOLUTIONS, fluctuations, INTERMOLECULAR INTERACTIONS, KIRKWOOD-BUFF PARAMETERS, MIXING SCHEMES, MIXTURES, TERT-BUTYL ALCOHOL, UREA, WATER-RICH REGION, X-RAY-SCATTERING},
	isbn = {1089-5647},
	url = {<Go to ISI>://000077837200040},
	author = {To, E. C. H. and Hu, J. H. and Haynes, C. A. and Koga,Yoshikata}
}
@article {4422,
	title = {Intermolecular interactions in tert-butyl alcohol dimethyl sulfoxide H2O: Chemical potentials, partial molar entropies and volumes},
	journal = {Journal of Physical Chemistry B},
	volume = {102},
	number = {26},
	year = {1998},
	note = {ISI Document Delivery No.: ZY137Times Cited: 13Cited Reference Count: 28},
	month = {Jun},
	pages = {5182-5195},
	type = {Article},
	abstract = {The excess chemical potentials, the excess partial molar entropies, and the partial molar volumes in tert-butyl alcohol (TBA)-dimethyl sulfoxide (DMSO)-H2O mixtures were determined. These data, together with previously published excess partial molar enthalpies (Fluid Phase Equilib. 1997, 136, 207) were used to evaluate intermolecular interactions. The TBA-TBA and TBA-DMSO, and DMSO-DMSO interactions were found to be crucially dependent on the composition. The net interaction in terms of chemical potential is very intricate. For example, net interactions of DMSO with a hydrophobic moiety (represented here by TEA) change from attractive to repulsive as the composition changes. This suggests that general discussions of the affinity of DMSO for nonpolar groups (or surfaces) are meaningful only by specifying the composition region. The interactions in terms of enthalpy and entropy are an order of magnitude larger and strongly compensating. Anomalous changes in the enthalpic/entropic interactions and hence qualitative changes in the mixing scheme of the solution, previously described in respective binary TBA-H2O and DMSO-H2O systems, are also apparent in this ternary system. II was found that as the mole fraction, x(D), of DMSO (third component) increases, the transition in mixing scheme occurred at a progressively lower value of x(B). The behavior of partial molar volume indicated that as x(B) increases, the initial increase in the partial molar volume of H2O on increasing x(D), reminiscent to "iceberg formation", diminished. This suggests that existing TEA molecules already made their contribution to the "iceberg formation". The DMSO-DMSO interaction in terms of volume also showed that the transition occurred at a smaller value of x(D) than that for x(B) = 0. The boundary between the two mixing schemes in the present ternary mixture was a straight line in the x(D)-x(B) field, suggesting that the effect of TEA and DMSO on H2O, causing the transition in the mixing scheme, is additive.},
	keywords = {AQUEOUS-SOLUTIONS, ENTHALPIES, HYDROPHOBIC INTERACTION, MIXING SCHEME, MIXTURES, NONELECTROLYTES, NONPOLAR SOLUTE PARTICLES, PERCOLATION, TRANSITION, WATER-RICH REGION},
	isbn = {1089-5647},
	url = {<Go to ISI>://000074590000026},
	author = {Trandum, C. and Westh, P. and Haynes, C. A. 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 {3830,
	title = {Excess partial molar enthalpies of alkane-mono-ols in aqueous solutions},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {74},
	number = {5},
	year = {1996},
	note = {ISI Document Delivery No.: UP791Times Cited: 50Cited Reference Count: 29},
	month = {May},
	pages = {713-721},
	type = {Article},
	abstract = {Excess partial molar enthalpies, H-A(E), of methanol, ethanol, and 1- and 2-propanols in aqueous solutions were measured directly, accurately, and in small increments in mole fraction at 25 degrees C. From these data, the solute-solute enthalpic interactions, H-AA(E) = N(partial derivative H-A(E)/partial derivative n(A)), were evaluated for each alcohol. These data indicate that three distinctively different mixing schemes, I, II, and III exist, as was the case for aqueous 2-butoxyethanol previously studied in our laboratory. The transition from mixing scheme I to II appears to take place gradually within a small composition range. As the hydrophobic moiety becomes smaller from 2-butoxyethanol to methanol, the locus of the transition moves to a higher value in mole fraction of the alcohol. At the same time, the range of transition becomes wider and the solute-solute enthalpic interaction weaker.},
	keywords = {1-PROPANOL, 2-BUTOXYETHANOL, 2-PROPANOL, 25-DEGREES-C, BUTYL ALCOHOL-SOLUTIONS, CONCENTRATION FLUCTUATIONS, enthalpic interaction, ENTROPIES, ETHANOL, excess partial molar enthalpies in aqueous solutions, FREE-ENERGIES, METHANOL, MIXING SCHEME, TERT-BUTANOL MIXTURES, TRANSITION, transition of, WATER-RICH REGION},
	isbn = {0008-4042},
	url = {<Go to ISI>://A1996UP79100011},
	author = {Tanaka, S. H. and Yoshihara, H. I. and Ho, A. W. C. and Lau, F. W. and Westh, P. and Koga,Yoshikata}
}
@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 {3722,
	title = {Partial molar fluctuations in aqueous 2-butoxyethanol},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {69},
	number = {6},
	year = {1996},
	note = {ISI Document Delivery No.: UY635Times Cited: 25Cited Reference Count: 13},
	month = {Jun},
	pages = {1505-1508},
	type = {Article},
	abstract = {The normalized fluctuations were reformulated in a unified manner, keeping the number of molecules in each coarse grain fixed. The normalized fluctuations were evaluated for aqueous 2-butoxyethanol using the existing data of chi(T), C-p, alpha(p), and V-m. The partial molar fluctuations of 2-butoxyethanol were then calculated. These quantities added some more evidences to the mixing schemes in aqueous 2-butoxyethanol conjectured earlier in this laboratory.},
	keywords = {MODEL, SYSTEMS, VOLUMES, WATER-RICH REGION},
	isbn = {0009-2673},
	url = {<Go to ISI>://A1996UY63500005},
	author = {Koga,Yoshikata and Westh, P.}
}
@article {3412,
	title = {EXCESS PARTIAL MOLAR ENTHALPIES, ENTROPIES, GIBBS ENERGIES, AND VOLUMES IN AQUEOUS DIMETHYLSULFOXIDE},
	journal = {Journal of Solution Chemistry},
	volume = {24},
	number = {1},
	year = {1995},
	note = {ISI Document Delivery No.: QF279Times Cited: 60Cited Reference Count: 20},
	month = {Jan},
	pages = {89-102},
	type = {Article},
	abstract = {The excess partial molar enthalpies, the vapor pressures, and the densities of dimethylsulfoxide (DMSO) - H2O mixtures were measured and the excess partial molar Gibbs energies and the partial molar volumes were calculated for DMSO and for H2O. The values of the excess partial molar Gibbs energies for both DMSO and H2O are negative over the entire composition range. The results for the water-rich region indicated that the presence of DMSO enhances the hydrogen bond network of H2O. Unlike monohydric alcohols, however, the solute-solute interaction is repulsive in terms of the Gibbs energy. This was a result of the fact that the repulsion among solutes in terms of enthalpy surpassed the attraction in terms of entropy. The data in the DMSO-rich region suggest that DMSO molecules form clusters which protect H2O molecules from exposure to the nonpolar alkyl groups of DMSO.},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, AQUEOUS DIMETHYLSULFOXIDE, DIMETHYL-SULFOXIDE, ENTROPIES, excess partial molar enthalpies, GIBBS ENERGIES AND VOLUMES, HEAT-CAPACITIES, LIQUID-MIXTURES, MIXING SCHEME, RANGE, SOLUTE-SOLUTE INTERACTION, TRANSITION, WATER-RICH REGION},
	isbn = {0095-9782},
	url = {<Go to ISI>://A1995QF27900007},
	author = {Lai, J. T. W. and Lau, F. W. and Robb, D. and Westh, P. and Nielsen, G. and Trandum, C. and Hvidt, A. and 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 {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.}
}
