@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 {2474,
	title = {Spectrum of Excess Partial Molar Absorptivity. I. Near Infrared Spectroscopic Study of Aqueous Acetonitrile and Acetone},
	journal = {Journal of Physical Chemistry B},
	volume = {113},
	number = {35},
	year = {2009},
	note = {ISI Document Delivery No.: 487EETimes Cited: 4Cited Reference Count: 22Koga, Yoshikata Sebe, Fumie Minami, Takamasa Otake, Keiko Saitow, Ken-ichi Nishikawa, Keiko},
	month = {Sep},
	pages = {11928-11935},
	type = {Article},
	abstract = {We study the mixing schemes or the molecular processes occurring in aqueous acetonitrile (ACN) and acetone (ACT) by near-infrared spectroscopy (NIR). Both solutions (any other aqueous solutions) are not free from strong and complex intermolecular interactions. To tackle such a many-body problem, we first use the concept of the excess molar absorptivity, epsilon(E), which is a function of solute mole fraction in addition to that of wavenumber, nu. The plots of F E calculated from NIR spectra for both aqueous solutions against nu showed two clearly separated bands at 5020 and 5230 cm(-1); the former showed negative and the latter positive peaks. At zero and unity mole fractions of solute, epsilon(E) is identically zero independent of v. Similar to the thermodynamic excess functions, both negative and positive bands grow in size from zero to the minimum (or the maximum) and back to zero, as the mole fraction varies from 0 to 1. Since the negative band{\textquoteright}s nu-locus coincides with the NIR spectrum of ice, and the positive with that of liquid H2O, we suggest that on addition of solute the "ice-likeness" decreases and the "liquid-likeness" increases, reminiscent of the two-mixture model for liquid H2O. The modes of these variations, however, are qualitatively different between ACN-H2O and ACT-H2O. The former ACN is known to,let as a hydrophobe and ACT as a hydrophile from Our previous thermodynamic studies. To see the difference more clearly, we introduced and calculated the excess partial molar absorptivity of ACN and ACT, epsilon(E)(N), and epsilon(E,)(T) respectively. The mole fraction dependences of epsilon(E)(N) and epsilon(E)(T) show qualitatively different behavior and are consistent with the detailed mixing schemes elucidated by our earlier differential thermodynamic studies. Furthermore, we found in the H2O-rich region that the effect of hydrophobic ACN is acted on the negative band at 5020 cm(-1), while that of hydrophilic ACT is on the positive high-energy band. Thus, the present method of analysis adds more detailed insight into the difference between a hydrophobe and a hydrophile in their effects on H2O.},
	keywords = {2-DIMENSIONAL CORRELATION SPECTROSCOPY, 25-DEGREES-C, CHEMICAL-POTENTIALS, ENTHALPIES, ENTROPIES, HYDROGEN-BONDS, MIXTURES, NON-ELECTROLYTES, TEMPERATURE, WATER},
	isbn = {1520-6106},
	url = {<Go to ISI>://000269252700016},
	author = {Koga,Yoshikata and Sebe, F. and Minami, T. and Otake, K. and Saitow, K. and Nishikawa, K.}
}
@article {2129,
	title = {Mixing schemes in a urea-H2O system: A differential approach in solution thermodynamics},
	journal = {Journal of Physical Chemistry B},
	volume = {112},
	number = {36},
	year = {2008},
	note = {ISI Document Delivery No.: 345EVTimes Cited: 5Cited Reference Count: 29Koga, Yoshikata Miyazaki, Yuji Nagano, Yatsuhisa Inaba, Akira},
	month = {Sep},
	pages = {11341-11346},
	type = {Article},
	abstract = {The excess partial molar enthalpies of urea (UR), H-UR(E), were experimentally determined in UR-H2O at 25 degrees C. The H-UR(E) data were determined accurately and in small increments in the mole fraction of UR, X-UR, up to X-UR approximate to 0.22. Hence it was possible to evaluate one more X-UR-derivative graphically Without resorting to any fitting function, and the model-fi-ee UR-UR enthalpic interaction, H{\textquoteright}U{\textquoteright}-R-uR, was calculated. Using previous data for the excess chemical potential, mu(E)(UR), the entropy analogue, S-UR(E)-UR. was also calculated. The X-UR-dependences of both H-UR(E)-UR and S-UR(E)-UR indicate that there is a boundary at X-UR approximate to 0.09 at which the aggregation nature of urea changes. Front the results of our earlier works, we suggest that a few UR molecules aggregate at X-UR approximate to 0.09, while the integrity of H2O is retained at least up to X-UR approximate to 0.20. Together with the findings from our previous studies, we suggest that in the concentration range X-UR < 0.22, UR or its aggregate form hydrogen bonds to the H2O network, reducing the degree of fluctuation characteristic to liquid H2O. However, up to at least X-UR = 0.20 the hydrogen bond network remains intact. Above X-UR approximate to 0.22, the integrity of H2O is likely be lost. Thus, in discussing the effect of urea on H2O and in relating it to the Structure and function of biopolymers in aqueous solutions, the concentration region in question must be specified.},
	keywords = {25-DEGREES-C, AQUEOUS UREA, DYNAMICS, ENTHALPIES, H2O, LIQUID WATER, MOLECULAR-ORGANIZATION, NUCLEAR-MAGNETIC-RESONANCE, POTASSIUM, WATER-STRUCTURE},
	isbn = {1520-6106},
	url = {<Go to ISI>://000258979800023},
	author = {Koga,Yoshikata and Miyazaki, Y. and Nagano, Y. and Inaba, A.}
}
@article {1549,
	title = {Geometry, solvent, and polar effects on the relationship between calculated core-electron binding energy shifts (Delta CEBE) and Hammett substituent (sigma) constants},
	journal = {Journal of Molecular Structure-Theochem},
	volume = {758},
	number = {1},
	year = {2006},
	note = {ISI Document Delivery No.: 011GHTimes Cited: 7Cited Reference Count: 27},
	month = {Jan},
	pages = {61-69},
	type = {Article},
	abstract = {According to Lindberg et al. there exists an equation Delta CEBE=kappa sigma for substituted benzene derivatives. Core-electron binding energy shift (Delta CEBE) is the difference between the CEBE of a specific carbon in monosubstituted benzene derivatives (C6H5-Z) and in benzene (C6H5-H); K is related to a reaction constant and or is the experimental Hammett substituent constant. The object of the present work is to investigate geometry, solvent, and polar effects on Lindberg{\textquoteright}s equation using theoretically calculated ACEBE. The CEBEs were calculated using DFT within the scheme Delta E-KS (PW86x-PW91c/TZP + C-rel). The geometry has only little effect on the CEBE values. A regression relation between ACEBE and 0, takes the form Delta CEBE = kappa sigma-C with K congruent to 1.17 and C congruent to 0.17. We estimated 69 sigma constants in water that have not been presented in the literature. Theoretical resonance (sigma(R)) and inductive (sigma(I)) effects were calculated using Taft equations. ACEBE (R) and ACEBE (1) effects on ACEBE were also calculated using Taft-like equations. The quality of the correlation to the resonance is better than that to the inductive effect, in water. The regression quality in aqueous organic solvent is poorer than in water in both Lindberg and Taft equations. The solvent effect is greater on the resonance than on the inductive effect. (c) 2006 Elsevier B.V. All rights reserved.},
	keywords = {25-DEGREES-C, ACCURATE, BENZENE-DERIVATIVES, benzenes, BENZOIC-ACIDS, CEBE shift, COMPILATION, DENSITY-FUNCTIONAL CALCULATION, DFF, Hammett sigma, IONIZATION, ISOLATED MOLECULES, LEAST-SQUARES, LFER, STRUCTURE-REACTIVITY PARAMETERS},
	isbn = {0166-1280},
	url = {<Go to ISI>://000235255700009},
	author = {Segala, M. and Takahata, Y. and Chong, D. P.}
}
@article {1523,
	title = {Kirkwood-Buff integrals of aqueous alcohol binary mixtures},
	journal = {Journal of Chemical Physics},
	volume = {124},
	number = {12},
	year = {2006},
	note = {ISI Document Delivery No.: 028CPTimes Cited: 16Cited Reference Count: 32},
	month = {Mar},
	pages = {9},
	type = {Article},
	abstract = {The Kirkwood-Buff integrals of some binary aqueous alcohol mixtures are computed from the available vapor pressure measurements and compared with previous results as well as small angle neutron scattering experiments. The emphasis of the present report is on accuracy of the results that can be achieved by these two different types of measurements. This seems to be needed, mainly in view of the discrepancies between the various published results, as shown herein. It is argued that agreement in peak positions is more important than that in magnitude. In general, very good agreement is obtained by both methods, and sources of disagreements are discussed. The issue of the computer simulations of aqueous systems and the problematics related to correlations, microheterogeneity, and consequently the Kirkwood-Buff integrals are equally discussed herein.},
	keywords = {25-DEGREES-C, fluctuations, FORCE-FIELD, LIQUID-MIXTURES, MIXING SCHEME, PARAMETERS, PARTICLE NUMBER, TERT-BUTYL ALCOHOL, WATER MIXTURES, X-RAY-SCATTERING},
	isbn = {0021-9606},
	url = {<Go to ISI>://000236464000052},
	author = {Perera, A. and Sokolic, F. and Almasy, L. and Koga,Yoshikata}
}
@article {1627,
	title = {Toward understanding the Hofmeister series. 3. Effects of sodium halides on the molecular organization of H2O as probed by 1-propanol},
	journal = {Journal of Physical Chemistry A},
	volume = {110},
	number = {5},
	year = {2006},
	note = {ISI Document Delivery No.: 011VUTimes Cited: 15Cited Reference Count: 42},
	month = {Feb},
	pages = {2072-2078},
	type = {Article},
	abstract = {We investigated the effects of NaF, NaCl, NaBr, and NaI on the molecular organization of H2O by a calorimetric methodology developed by us earlier. We use the third derivative quantities of G pertaining to I-propanol (1P) in ternary 1P-asalt-H2O as a probe to elucidate the effects of a salt on H2O. We found that NaF and NaCl worked as hydration centers. The hydration numbers were 19 +/- 2 for NaF and 7.5 +/- 0.6 for NaCl. Furthermore, the bulk H2O away from the hydration shell was found unaffected by the presence of Na+, F-, and Cl-. For NaBr and NaI, in addition to the hydration to Na+, Br- and I- acted like a hydrophilic moiety such as urea. Namely, they formed a hydrogen bond to the existing H2O network and retarded the fluctuation nature of H2O. These findings were discussed with respect to the Hofmeister ranking. We suggested that more chaotropic anions Br- and I- are characterized as hydrophiles, whereas kosmotropes, F- and Cl-, are hydration centers.},
	keywords = {25-DEGREES-C, AQUEOUS-SOLUTIONS, CHEMICAL-POTENTIALS, DIELECTRIC-SPECTROSCOPY, INTERMOLECULAR INTERACTIONS, LIQUID WATER, MIXING SCHEMES, NONELECTROLYTES, partial molar enthalpy, TERT-BUTYL ALCOHOL},
	isbn = {1089-5639},
	url = {<Go to ISI>://000235297400050},
	author = {Westh, P. and Kato, H. and Nishikawa, K. and Koga,Yoshikata}
}
@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 {1258,
	title = {Fluctuation functions in aqueous NaCl and urea},
	journal = {Journal of Physical Chemistry B},
	volume = {109},
	number = {35},
	year = {2005},
	note = {ISI Document Delivery No.: 961UNTimes Cited: 4Cited Reference Count: 30},
	month = {Sep},
	pages = {16886-16890},
	type = {Article},
	abstract = {We earlier devised a set of fluctuation functions that provide relative qualitative differences of the amplitude (intensity) and the wavelength (extensity) of fluctuations in entropy and volume and the entropy-volume cross fluctuations. We discuss the mixing schemes in aqueous NaCl and urea using these fluctuation functions. Our earlier studies by using the second and third derivatives of Gibbs energy indicated that their effects on H2O are qualitatively different. An NaCl hydrates 7.5 molecules of H2O but leaves the bulk H2O away from the hydration shell unperturbed. Urea, on the other hand, connects onto the hydrogen bond network of H2O but retards the degree of fluctuation inherent in H2O. The behavior of the fluctuation functions calculated here are consistent with the above mixing schemes. Furthermore, urea was found to reduce the wavelength of fluctuation more strongly than NaCl.},
	keywords = {25-DEGREES-C, H2O, LIQUID WATER, MODEL, PARTIAL MOLAR FLUCTUATIONS, PERCOLATION, SODIUM-CHLORIDE, SYSTEMS, VOLUMETRIC PROPERTIES},
	isbn = {1520-6106},
	url = {<Go to ISI>://000231687400045},
	author = {Siu, D. 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 {1177,
	title = {Thermodynamic properties of water in the water-poor region of binary water plus alcohol mixtures},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {83},
	number = {5},
	year = {2005},
	note = {ISI Document Delivery No.: 930KOTimes Cited: 2Cited Reference Count: 54},
	month = {May},
	pages = {420-429},
	type = {Article},
	abstract = {In our previous thermodynamic studies, we suggested that alcohol molecules in water-poor water + alcohol mixtures exist as alcohol clusters in a form similar to the pure alcohols. Here, we use calorimetry and densitometry to investigate how H2O interacts with alcohol clusters in water-poor binary aqueous mixtures of 12 different alcohols. The composition dependence of the measured excess partial molar enthalpy and volume of water (H-W(E) and V-W(E)), along with entropy data calculated from H-W(E) and literature data for excess chemical potentials, showed that in water-poor solutions of small alcohols such as methanol, ethanol, and 1-propanol, mutual water-water interactions are endothermic, but entropically favorable. Conversely, in long-chain solvents such as 1-octanol and 1-decanol, the interaction is exothermic and entropically unfavorable. We suggest that these observations reflect water-alcohol hydrogen bonding in short-chain solvents and water clustering with more hydrogen bonding than in pure water or "dewetting" in mixtures of the longer alcohols, respectively. The composition dependence of H-W(E) was also used to locate anomalies that specify the boundary between the mixing schemes characterizing the intermediate and the water-poor regions of alcohol + water mixtures.},
	keywords = {25-DEGREES-C, ALKANE-MONO-OLS, aqueous alkane-mono-ols, AQUEOUS-SOLUTIONS, BUTANOL MIXTURES, DILUTE-SOLUTIONS, entropy and, EXCESS ENTHALPY, excess partial molar enthalpy, MIXING SCHEMES, PARTIAL MOLAR VOLUMES, RICH REGION, TERT-BUTYL ALCOHOL, VOLUME},
	isbn = {0008-4042},
	url = {<Go to ISI>://000229414900003},
	author = {Liltorp, 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 {901,
	title = {Mixing schemes in ionic liquid-H2O systems: A thermodynamic study},
	journal = {Journal of Physical Chemistry B},
	volume = {108},
	number = {50},
	year = {2004},
	note = {ISI Document Delivery No.: 879CXTimes Cited: 78Cited Reference Count: 33},
	month = {Dec},
	pages = {19451-19457},
	type = {Article},
	abstract = {We studied the hydration characteristics of room-temperature ionic liquids (IL). We experimentally determined the excess chemical potentials, mu(i)(E), the excess partial molar enthalpies, H-i(E), and the excess partial molar entropies S-i(E) in IL-H2O systems at 25 degreesC. The ionic liquids studied were 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim]BF4) and the iodide ([bmim]l). From these data, the excess (integral) molar enthalpy and entropy, H-m(E) and S-m(E), and the IL-IL enthalpic interaction, H-IL-IL(E), were calculated. Using these thermodynamic data, we deduced the mixing schemes, or the "solution structures", of IL-H2O systems. At infinite dilution IL dissociates in H2O, but the subsequent hydration is much weaker than for NaCl. As the concentration of IL increases, [bmim]l ions and the counteranions begin to attract each other up to a threshold mole fraction, x(IL) = 0.015 for [bmim]BF4 and 0.013 for [bmim]l. At still higher mole fractions, IL ions start to organize themselves, directly or in an H2O-Mediated manner. Eventually for x(IL) > 0.5-0.6, IL molecules form clusters of their own kind, as in their pure states. We show tha HI-L-IL, a third derivative of G, provided finer details than H-i(E) and S-i(E) second derivatives, which in turn gave more detailed information than H-m(E) and S-m(E), first derivative quantities.},
	keywords = {25-DEGREES-C, AQUEOUS SODIUM-CHLORIDE, ENTHALPIES, GLYCEROL, H2O, METHANOL, MIXTURES, MOLECULAR-ORGANIZATION, SOLVENTS, WATER},
	isbn = {1520-6106},
	url = {<Go to ISI>://000225695100058},
	author = {Katayanagi, H. and Nishikawa, K. and Shimozaki, H. and Miki, K. and Westh, P. and Koga,Yoshikata}
}
@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 {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 {587,
	title = {Excess chemical potential and partial molar enthalpy of 2-iso-butoxyethanol in aqueous solution at 20 degrees C},
	journal = {Thermochimica Acta},
	volume = {397},
	number = {1-2},
	year = {2003},
	note = {ISI Document Delivery No.: 642RNTimes Cited: 0Cited Reference Count: 14},
	month = {Feb},
	pages = {75-80},
	type = {Article},
	abstract = {Vapour pressures were determined at 20degreesC for aqueous 2-iso-butoxyethanol (ME). Partial pressures and hence, the excess chemical potentials of iBE were calculated by the Boissonnas method. Excess partial molar enthalpies were measured, and the excess partial molar entropies of iBE were then calculated at 20degreesC. These data and their mole fraction dependence indicated that there are three mixing schemes operative, in the same way as in aqueous 2-n-butoxyethanol (nBE) studied extensively by us. The details of each mixing schemes are identical, but the locus of the transition between mixing schemes I and II occurs at a smaller mole fraction than for aqueous nBE. This suggests that iBE is a stronger hydrophobic solute than nBE, which is consistent with the common understanding. (C) 2002 Elsevier Science B.V. All rights reserved.},
	keywords = {2-BUTOXYETHANOL, 2-iso-butoxyethanol-H2O, 2-ISOBUTOXYETHANOL, 2-n-butoxyethanol-H2O, 25-DEGREES-C, a stronger hydrophobicity than 2-n-butoxyethanol, ALCOHOL, BUTYL, enthalpic interaction functions, excess partial molar enthalpy and entropy, LAW REGION, MIXING SCHEME, MIXTURES, THERMODYNAMIC PROPERTIES, three mixing schemes identical with, VAPOR-PRESSURES, WATER},
	isbn = {0040-6031},
	url = {<Go to ISI>://000180803100010},
	author = {Cheung, C. M. W. and Chan, K. P. Y. and Koga,Yoshikata}
}
@article {332,
	title = {A differential vapor-pressure equipment for investigations of biopolymer interactions},
	journal = {Journal of Biochemical and Biophysical Methods},
	volume = {50},
	number = {2-3},
	year = {2002},
	note = {ISI Document Delivery No.: 510CETimes Cited: 7Cited Reference Count: 47},
	month = {Jan},
	pages = {269-288},
	type = {Article},
	abstract = {The design and performance of an equipment for the measurement of vapor pressures over liquid or solid samples is presented. The equilibrium pressure difference, DeltaP, between a sample and a reference of known vapor pressure is recorded as a function of composition and/or temperature. Through the use of high-accuracy capacitance manometers and a leak-tight system of stainless steel pipes, below-scaled valves and metal-gasket fittings, DeltaP can be measured with a resolution of about 0.5 mubar (0.05 Pa) in some applications. This sensitivity level, along with other features of the equipment, particularly a "gas-phase titration" routine for changing the cell composition, makes it effective for the investigations of several types of biopolymer interactions. These include isothermal studies of net affinities such as the adsorption of water to proteins or membranes, the preferential interaction of biopolymers with the components of a mixed solvent. the partitioning of solutes between a membrane and the aqueous bulk and the weak. specific binding of ligands to macromolecules. Furthermore, a temperature-scanning mode allows real-time elucidation of such interactions at thermally induced conformational changes in biopolymers. Selected examples of these applications are presented and discussed. (C) 2002 Elsevier Science B.V. All rights reserved.},
	keywords = {25-DEGREES-C, ALCOHOLS, BINDING, BOVINE SERUM-ALBUMIN, CALORIMETER, differential, hydration, LIQUID-EQUILIBRIA, preferential interaction, static vapor pressure, temperature scanning, TEMPERATURES, THERMODYNAMICS, titration, WATER, weak binding},
	isbn = {0165-022X},
	url = {<Go to ISI>://000173190500016},
	author = {Andersen, K. B. and Koga,Yoshikata and Westh, P.}
}
@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 {5094,
	title = {Additive effect of 1-propanol and 2-propanol on molecular organization of H2O in the water-rich region: Excess chemical potential, partial molar enthalpy and volume of 1-propanol in 1-propanol-2-propanol-H2O at 25 degrees C},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {74},
	number = {5},
	year = {2001},
	note = {ISI Document Delivery No.: 443WKTimes Cited: 16Cited Reference Count: 25},
	month = {May},
	pages = {809-816},
	type = {Article},
	abstract = {Excess chemical potential, mu (E)(1P), partial molar enthalpy, H-1P(E) and volume of 1-propanol, V-1P(E), were determined as a function of mole fraction of l-propanol, rip, in mixed solvents of aqueous 2-propanol with various initial mole fraction of 2-propanol, x(2P)(0). The 1-propanol-1-propanol interaction functions, H-1P-1P(E) equivalent to N(partial derivativeH(1P)(E)/partial derivativen(1P)), and V-1P-1P(E) equivalent to N(partial derivativeV(1P)(E)/ partial derivativen(1P)), were evaluated by graphical differentiation. The rip-dependence of all these quantities indicates that l-propanol and 2-propanol modify the molecular organization of H2O in the same and additive manner in the water-rich region. The additive effect of 1-propanol and that of 2-propanol are in the ratio of (0.07/0.08).},
	keywords = {25-DEGREES-C, AQUEOUS 2-BUTOXYETHANOL, ENTROPIES, fluctuations, INTERMOLECULAR INTERACTIONS, LYSOZYME, MIXING SCHEMES, MIXTURES, TERT-BUTANOL},
	isbn = {0009-2673},
	url = {<Go to ISI>://000169365200004},
	author = {Hu, J. H. and Chiang, W. M. D. and Westh, P. and Chen, D. H. C. and Haynes, C. A. and Koga,Yoshikata}
}
@article {5207,
	title = {Effects of pressure and temperature on the solubility of monosodium L-glutamate monohydrate in water},
	journal = {High Pressure Research},
	volume = {21},
	number = {2},
	year = {2001},
	note = {ISI Document Delivery No.: 572UGTimes Cited: 4Cited Reference Count: 21},
	pages = {93-104},
	type = {Article},
	abstract = {The solubility of monosodium L-glutamate monohydrate (MSG.H2O) in water was measured at pressures in the range of 0.10-300 MPa and 298.15 K. The density of MSG solution at high concentrations and heat of solution at saturated concentration were also measured at atmospheric pressure. The solubility, m,, increased with increasing pressure and the pressure coefficient, theta(p) [equivalent to(partial derivative ln m(s)/partial derivativep)(T)], at 0. 10 MPa was (2.0 +/- 0.1) x 10(-10) Pa-1. It agrees well with (2.1 +/- 0.2) x 10(-10) Pa-1 thermodynamically estimated using the partial molar volume, the activity coefficient of the solute in solution, and the molar volume of the crystal. The excellent agreement at 0.10 MPa gives us confidence in the solubility data at higher pressures. The heat of solution data and other pertinent values were used to calculate the temperature coefficient of solubility, theta(T) [equivalent to(partial derivative ln ms/partial derivative(1/T))(p)], by a thermodynamic equality. The resulting theta(T) compares well with the data directly measured by Ogawa.},
	keywords = {25-DEGREES-C, amino acids, CRYSTAL, density, heat of, HIGH-PRESSURE, molar volume, SOLUBILITY, SOLUTION},
	isbn = {0895-7959},
	url = {<Go to ISI>://000176792900003},
	author = {Suzuki, Y. and Matsuo, H. and Koga,Yoshikata and Mukae, K. and Kawakita, T. and Sawamura, S.}
}
@article {5145,
	title = {Solubility of cesium chloride in water under high pressures},
	journal = {Fluid Phase Equilibria},
	volume = {189},
	number = {1-2},
	year = {2001},
	note = {ISI Document Delivery No.: 495HBTimes Cited: 4Cited Reference Count: 23},
	month = {Oct},
	pages = {1-11},
	type = {Article},
	abstract = {The solubility (m,at) of cesium chloride (CsCl) in water was measured in the pressure and temperature ranges, 0.10-400 MPa and 273-313 K, respectively. The following function was fitted to the results: m(sat) (mol kg(-1)) = 11.000 - 8.80 x 10(-3) p + 3.3 x 10(-6) p(2) + (0.0675 - 4.167 x 10(-5) p) (T - 293.15) - 0.81 X 10(-4) (T - 293.15)(2). The standard deviation is 0.022 mol kg(-1). This level of precision in solubility is almost an order of magnitude better than the literature data for the same system at the atmospheric pressure. This improvement in reproducibility is due in part to a better design of the inside of the pressure vessel used for the present study. The pressure and the temperature coefficients of the solubility were thermodynamically estimated using relevant data of the solute and the solution in literature. To supplement the volume data, we also measured the density of aqueous solution of cesium chloride at high concentrations. The coefficients thus calculated were the same within experimental error with those derived from our data, the equation shown above. It proves our solubility measurement under high pressure reliable. (C) 2001 Elsevier Science B.V. All rights reserved.},
	keywords = {25-DEGREES-C, ALKALI-HALIDES, cesium chloride, experimental method, high pressure, solid-fluid equilibria, SOLUBILITY, THERMODYNAMIC PROPERTIES},
	isbn = {0378-3812},
	url = {<Go to ISI>://000172333200001},
	author = {Matsuo, H. and Koga,Yoshikata and Sawamura, S.}
}
@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 {4587,
	title = {Fluctuations in aqueous methanol, ethanol, and propan-1-ol: amplitude and wavelength of fluctuation},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {77},
	number = {12},
	year = {1999},
	note = {ISI Document Delivery No.: 262KYTimes Cited: 29Cited Reference Count: 18},
	month = {Dec},
	pages = {2039-2045},
	type = {Article},
	abstract = {Density, heat capacity, and isentropic compressibility data for aqueous methanol, ethanol, and propan-1-ol by Benson{\textquoteright}s group were used to evaluate two kinds of fluctuations; mean-square fluctuation densities; and (mean-square) normalized fluctuations, respectively, in volume, entropy, and cross (entropy/volume) effect. The mean-square fluctuation densities provide measures for the amplitude (intensity) of the fluctuation, while the normalized fluctuations contain information regarding the wavelength (extensity) of the fluctuation. Furthermore, their composition derivatives, the partial molar fluctuations of alcohols were calculated. These quantities signify the effect of additional solute on the respective fluctuations. These data were interpreted in terms of mixing schemes learned earlier in this laboratory by using the data of excess partial molar enthalpy, entropy, and volume, and the respective alcohol-alcohol interaction functions, i.e., the composition derivatives of partial molar quantities.},
	keywords = {25-DEGREES-C, and propan-1-ol, aqueous methanol, ETHANOL, fluctuation density, HEAT-CAPACITIES, LIQUID WATER, N-ALCOHOL MIXTURES, NON-ELECTROLYTES, normalized fluctuation, partial molar fluctuations of alcohol, THERMODYNAMICS, VOLUMES},
	isbn = {0008-4042},
	url = {<Go to ISI>://000084067500005},
	author = {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 {4155,
	title = {Intermolecular interactions of lysozyme and small alcohols: A calorimetric investigation},
	journal = {Journal of Physical Chemistry B},
	volume = {101},
	number = {29},
	year = {1997},
	note = {ISI Document Delivery No.: XM058Times Cited: 23Cited Reference Count: 34},
	month = {Jul},
	pages = {5755-5758},
	type = {Article},
	abstract = {Isothermal titration calorimetry was used to measure transfer enthalpies of hen egg white lysozyme from water to aqueous solutions of methanol, ethanol, 1-propanol, glycerol, and 2,2,2-trifluoroethanol. Excess partial molar enthalpies of lysozyme at infinite dilution in the alcoholic solvents, H-infinity(L)E, were calculated, and the dependence of H-infinity(L)E on the concentration of the alcohol, was utilized to elucidate the enthalpy of alcohol-protein interactions. Results show that, at low alcohol concentrations, alcohol-protein interactions are unfavorable in terms of enthalpy (endothermic), while at higher concentrations they are favorable (exothermic). The change from endothermic to exothermic interactions happened sharply over a narrow alcohol concentration interval, and was found to occur concurrently with denaturation of the protein in some but not all cases. Comparison of the present results with previous investigations of simple binary and ternary aqueous solutions suggests that the change of sign of the interaction enthalpy is related to the water-water hydrogen bonding properties in the alcohol mixtures. It is argued that modifications by the alcohol of the percolated hydrogen bond network govern the enthalpy of alcohol-lysozyme interactions in the most water-rich samples. This suggests that occupancy by the alcohol of a binding site on the surface of the protein may not be necessary for the alcohol to affect the properties of the protein. At higher alcohol concentrations the observed interaction enthalpies are dominated by direct ({\textquoteright}{\textquoteright}intrinsic{\textquoteright}{\textquoteright}) effects of protein-alcohol interactions, which are exothermic.},
	keywords = {25-DEGREES-C, ENERGIES, GLOBULAR-PROTEINS, INDUCED REVERSIBLE DENATURATION, MIXTURES, MONOHYDRIC ALCOHOLS, STABILIZATION, THERMODYNAMIC INVESTIGATIONS, TRIFLUOROETHANOL, VAPOR-PRESSURES, WATER},
	isbn = {1089-5647},
	url = {<Go to ISI>://A1997XM05800021},
	author = {Westh, P. and Koga,Yoshikata}
}
@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 {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 {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 {3007,
	title = {EXCESS PARTIAL MOLAR VOLUMES AND THERMAL EXPANSIVITIES IN THE WATER-RICH REGION OF AQUEOUS 2-BUTANONE},
	journal = {Journal of Solution Chemistry},
	volume = {23},
	number = {2},
	year = {1994},
	note = {ISI Document Delivery No.: NB508Times Cited: 8Cited Reference Count: 22Symposium in Honor of Donald Patterson on His 65th Birthday, at the 76th Congress of the Canadian-Society-for-ChemistryMAY 31-JUN 03, 1993SHERBROOKE, CANADACANADIAN SOC CHEM},
	month = {Feb},
	pages = {339-349},
	type = {Proceedings Paper},
	abstract = {Excess partial molar volumes of 2-butanone V(m)E(B) and thermal expansivities alpha(p) were measured in the water-rich region of aqueous 2-butanone. The composition derivatives of both quantities showed anomalies at about X(B) = 0.033 (x(B) is the mole fraction of B). (partial derivative V(m)E(B)/partial derivative n(B))p,T,nW showed a step anomaly, while (partial derivative alpha(p)/partial derivatives n(B))p,T,nw exhibited a peak anomaly. The compositions at which these anomalies occurred match those of the step anomalies observed earlier in (partial derivative H(m)E(B)/partial derivative n(B))p,T,nW and (partial derivative S(m)E(B)/partial derivative n(B))p,T,nW in aqueous 2-butanone. These results are discussed in comparison with those obtained previously for aqueous 2-butoxyethanol.},
	keywords = {2-BUTANONE, 2-BUTOXYETHANOL, 25-DEGREES-C, ANOMALIES IN 3RD DERIVATIVES, AQUEOUS, DERIVATIVES, ENTHALPIES, EXCESS PARTIAL MOLAR VOLUMES, fluctuations, FREE-ENERGIES, HEAT-CAPACITIES, MIXING SCHEME, OF GIBBS FREE ENERGY, TERT-BUTANOL MIXTURES, THERMAL EXPANSIVITIES, TRANSITION, TRANSITION OF MIXING SCHEME},
	isbn = {0095-9782},
	url = {<Go to ISI>://A1994NB50800016},
	author = {Davies, J. V. and Fooks, R. and Koga,Yoshikata}
}
@article {2846,
	title = {EXCESS PARTIAL MOLAR VOLUMES OF (XCH3(CH2)3O(CH2)2OH+(1-X)H2O) IN THE WATER-RICH REGION},
	journal = {Journal of Chemical Thermodynamics},
	volume = {25},
	number = {1},
	year = {1993},
	note = {ISI Document Delivery No.: KH149Times Cited: 30Cited Reference Count: 14},
	month = {Jan},
	pages = {51-56},
	type = {Article},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, MIXTURES, MODEL},
	isbn = {0021-9614},
	url = {<Go to ISI>://A1993KH14900006},
	author = {Koga,Yoshikata and Kristiansen, J. and Hvidt, A.}
}
@article {7384,
	title = {EXCESS PARTIAL MOLAR FREE-ENERGIES, ENTHALPIES, AND ENTROPIES IN 2-BUTANONE-H2O MIXTURES - SOLUTE SOLUTE INTERACTIONS},
	journal = {Journal of Physical Chemistry},
	volume = {96},
	number = {24},
	year = {1992},
	note = {ISI Document Delivery No.: KA298Times Cited: 12Cited Reference Count: 19},
	month = {Nov},
	pages = {10025-10029},
	type = {Article},
	abstract = {The excess partial molar enthalpies, H(m)E(i), in 2-butanone (BUT)-H2O mixtures were measured at 4.20, 20.00, and 25.00-degrees-C (i = BUT or H2O). The vapor pressures were also measured by a static method at 20.00 and 25.00-degrees-C. From the latter data, the partial pressures and hence the excess partial molar Gibbs free energies, G(m)E(i), were calculated by the method. The excess partial molar entropies, S(m)E(i), were then calculated at 20.00 and 25.00-degrees-C. From the composition derivatives of these partial molar quantities, the nature of the solute-solute interactions was discussed in relation to the global information about the mixture: existence of phase separation, the way in which the phase boundary slants, and existence of azeotropy and addition compound.},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, BUTYL ALCOHOL, MIXING SCHEME, SCATTERING, TERT-BUTANOL MIXTURES, TRANSITION, WATER},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1992KA29800080},
	author = {Wong, T. Y. H. and Wongmoon, K. C. and Beach, L. J. and Chuang, Y. F. and Koga,Yoshikata}
}
@article {7285,
	title = {TRANSITION OF MIXING SCHEME IN THE WATER-RICH REGION OF AQUEOUS 2-BUTOXYETHANOL - PARTIAL MOLAR VOLUMES AND THEIR DERIVATIVES},
	journal = {Journal of Physical Chemistry},
	volume = {96},
	number = {25},
	year = {1992},
	note = {ISI Document Delivery No.: KC007Times Cited: 30Cited Reference Count: 12},
	month = {Dec},
	pages = {10466-10468},
	type = {Article},
	abstract = {The mixing scheme boundary proposed in paper 1 (J. Phys. Chem. 1990, 94, 3879) was extended to high temperatures. Using the data of the excess partial molar volumes in aqueous solutions of 2-butoxyethanol (BE), V(m)E(i) (i = BE or H2O), reported in paper 2 (J. Chem. Thermodyn., in press), the composition derivatives of V(m)E(BE), (partial derivative V(m)(BE)/partial derivative n(BE))n(W), were calculated. n(BE) and n(W) are the amounts of BE and H2O in solution, respectively. It was found that these derivatives showed peak anomalies at the same loci of the mixing scheme boundary. In the water-rich region below the boundary, the behavior of the partial molar volumes and their derivatives was explained in a consistent manner as presented in previous papers (Can. J. Chem. 1989, 67, 67 1; J. Phys. Chem. 1990, 94, 3879; J. Phys. Chem. 1991, 95, 4119). We took into account three effects on V(m)E(BE): (1) the size difference between BE and W molecules; (2) the packing density of solvent H2O; (3) the progressive enhancement of the hydrogen-bond network of H2O as the concentration of BE increases.},
	keywords = {25-DEGREES-C, MIXTURES, MODEL},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1992KC00700064},
	author = {Koga,Yoshikata}
}
