@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 {1231,
	title = {On the evaluation of the Kirkwood-Buff integrals of aqueous acetone mixtures},
	journal = {Journal of Chemical Physics},
	volume = {123},
	number = {2},
	year = {2005},
	note = {ISI Document Delivery No.: 947NUTimes Cited: 14Cited Reference Count: 46},
	month = {Jul},
	pages = {11},
	type = {Article},
	abstract = {The Kirkwood-Buff integrals of acetone-water mixtures are determined using two experimental techniques: small-angle neutron scattering and vapor pressure measurements, in order to test the precision and reliability that can be achieved. The data are then compared with those previously reported by different authors, which tend to show considerable variation between them. The various possible sources of inaccuracies are pointed out, both from experimental origins and from the numerical treatment of the data. Comparison with recent simulation results allows to critically compare different models and provide some information about the microstructure of the aqueous mixture. (c) 2005 American Institute of Physics.},
	keywords = {CONCENTRATION, FLUCTUATION, HENRYS LAW REGION, MOLECULAR-DYNAMICS, NEUTRON-SCATTERING, ORGANIC SOLUTES, TERT-BUTYL ALCOHOL, TETRAMETHYL UREA, TOTAL PRESSURE, WATER MIXTURES, X-RAY-SCATTERING},
	isbn = {0021-9606},
	url = {<Go to ISI>://000230653700023},
	author = {Perera, A. and Sokolic, F. and Almasy, L. and Westh, P. and Koga,Yoshikata}
}
@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 {4726,
	title = {Methanol-induced conformations of myoglobin at pH 4.0},
	journal = {Biochemistry},
	volume = {39},
	number = {47},
	year = {2000},
	note = {ISI Document Delivery No.: 378UETimes Cited: 62Cited Reference Count: 78},
	month = {Nov},
	pages = {14702-14710},
	type = {Article},
	abstract = {The equilibrium methanol-induced conformation changes of holomyoglobin (hMb) at pH 4.0 have been studied by circular dichroism, tryptophan fluorescence, and Soret band absorption and by electrospray ionization mass spectrometry (ESI-MS). Optical spectra show the following: (1) In 35-40\% (v/v) methanol/water, the native-like secondary structure remains, the tertiary structure is lost, the heme protein interactions are decreased, and a folding intermediate is formed. (2) In 50\% methanol, heme is lost from the protein, and there is a small decrease in helicity together with a loss of tertiary structure. (3) At > 60\% methanol, the helicity increases and the apoprotein goes into a helical denatured state. The conformations are also probed by the charge states produced in ESI-MS and by hydrogen/deuterium (H/D) exchange with mass measurement by ESI-MS. At 0-30\% methanol, native hMb produces relatively low charge states (9(+)-13(+)) in ESI-MS and exchanges relatively few hydrogens. In 35-40\% methanol, at which an intermediate is formed, there is a bimodal distribution of hMb ions with both low (9(+)-13(+)) and high (14(+)-23(+)) charge states and also a high charge state distribution (12(+)-26(+)) of apomyoglobin (aMb) ions. Low and high charge states of hMb and a high charge state of aMb all show the same H/D exchange rate, indicating that an unfolded hMb intermediate interconverts between folded hMb and unfolded aMb. The charge state distribution for the unfolded hMb intermediate observed here is similar to that of the recently reported transient intermediate formed during the acid denaturation of hMb. At 50\% alcohol the protein produces predominantly high charge states of aMb ions and shows H/D exchange rates close to those of the acid-denatured protein. H/D exchange of the helical denatured protein at alcohol concentrations >60\%, at which high charge states of aMb are produced, shows that the protein structure is more protected than at similar to 50\% methanol.},
	keywords = {AMIDE HYDROGEN-EXCHANGE, APOMYOGLOBIN, BETA-LACTOGLOBULIN, CYTOCHROME-C, ELECTROSPRAY-IONIZATION, FOLDING INTERMEDIATE, IONIZATION MASS-SPECTROMETRY, MOLTEN GLOBULE INTERMEDIATE, SPERM-WHALE, STRUCTURAL-CHARACTERIZATION, X-RAY-SCATTERING},
	isbn = {0006-2960},
	url = {<Go to ISI>://000165602400040},
	author = {Babu, K. R. and Douglas, D. J.}
}
@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 {4440,
	title = {Light scattering study on sol-gel transformation of SiO2 colloid at extremely high concentrations},
	journal = {Clays and Clay Minerals},
	volume = {46},
	number = {2},
	year = {1998},
	note = {ISI Document Delivery No.: ZU862Times Cited: 5Cited Reference Count: 29},
	month = {Apr},
	pages = {161-166},
	type = {Article},
	abstract = {Ludox SiO(2 )sols with a reasonably uniform size of 12 nm and in the high concentration of 10 to 40 wt\% were transformed to gels by lowering the pH. The process from sol to gel, followed by light scattering, did not show a sign of fractal growth within the length scale of observation (>40 nm). Rather, a density fluctuation due to a dynamic (non-equilibrium) disorder was apparent. Together with the results of viscosity measurements, it was concluded that the process consists of 3 stages: 1) A dynamic (non-equilibrium) density fluctuation grows rapidly. 2) Such density fluctuation acquires some order. 3) The entire bulk loses fluidity and becomes a macroscopic gel.},
	keywords = {AGGREGATION, DENSITY FLUCTUATION, GLASS, GROWTH, light scattering study, PARTICLES, SILICA, SiO2 colloids, sol-gel transformation, TRANSITION, X-RAY-SCATTERING},
	isbn = {0009-8604},
	url = {<Go to ISI>://000074243100006},
	author = {Xu, Y. N. 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 {3206,
	title = {PORE-SIZE DISTRIBUTION OF COALS AND CHARS FROM WESTERN CANADA},
	journal = {Fuel},
	volume = {73},
	number = {11},
	year = {1994},
	note = {ISI Document Delivery No.: PM660Times Cited: 2Cited Reference Count: 20},
	month = {Nov},
	pages = {1797-1801},
	type = {Article},
	abstract = {The small angle X-ray scattering (SAXS) technique was used to determine the pore size distributions of some coals from western Canada and their resulting chars. Chars were prepared by pyrolysis at 930 degrees C in nitrogen until no further volatile matter was evolved. The distribution peak of the minerals was identified by acid treatment. Assuming that minerals dispersed in carbonaceous medium are not subject to sintering during pyrolysis, the mineral distribution peak was used as the internal standard to convert each pore size distribution of a coal sample and its char to the same scale. In this way, the changes in pore size distribution that occur during pyrolysis were compared. It was found that for highly reactive chars from low rank coal samples, the total pore volumes increased on pyrolysis. For poorly reactive chars from high rank coals, however, the total pore volumes decreased from their original coal counterparts.},
	keywords = {ANGLE, CHAR, coal, PORE VOLUME, X-RAY-SCATTERING},
	isbn = {0016-2361},
	url = {<Go to ISI>://A1994PM66000018},
	author = {Xu, Y. N. and Koga,Yoshikata and Watkinson, A. P.}
}
