@article {1440,
	title = {The effects of chloride salts of some cations on the molecular organization of H2O. Towards understanding the Hofmeister series. II},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {79},
	number = {9},
	year = {2006},
	note = {ISI Document Delivery No.: 097WCTimes Cited: 7Cited Reference Count: 42Koga, Yoshikata Katayanagi, Hideki Davies, James V. Kato, Hitoshi Nishikawa, Keiko Westh, Peter},
	month = {Sep},
	pages = {1347-1354},
	type = {Article},
	abstract = {We use the thermodynamic behaviour of I-propanol (1P) as a probe in ternary 1P-salt-H2O systems to elucidate the effect of a salt on the molecular organization of H2O. For salts, we have chosen CaCl2, NH4Cl, and (CH3)(4)NCl (TMAC). Having fixed the counter anion at Cl-, we compare here mainly the effects of chosen cations on H2O. Together with an earlier study on NaCl, we found that Ca2+, Na+, and NH4+ are hydrated by a number of H2O molecules and leave the bulk H2O away from the hydration shell unperturbed. The hydration numbers were found to be 6.4 +/- 1.6, and 1.2 +/- 0.4, for Ca2+ and NH4+, respectively with the hydration number 5.2 for Na+, the result of a simulation study, chosen as a reference. Thus, a salting out (also referred to as structure making, stabilizing, or kosmotropic) tendency would decrease in the order; Ca2+ > Na+ > NH4+. TMA(+), on the other hand, showed a more hydrophilic characteristics than the probing 1P. Thus, TMA(+) is rather chaotropic (salting in, structure breaking or destabilizing) within this methodology.},
	keywords = {AQUEOUS-SOLUTIONS, EXCESS CHEMICAL-POTENTIALS, HEAT-CAPACITIES, INTERMOLECULAR INTERACTIONS, MIXING SCHEMES, PARTIAL MOLAR ENTHALPIES, TETRAALKYLAMMONIUM HALIDES, TETRAMETHYL UREA, THERMODYNAMIC APPROACH, WATER MIXTURES},
	isbn = {0009-2673},
	url = {<Go to ISI>://000241479100004},
	author = {Koga,Yoshikata and Katayanagi, H. and Davies, J. V. and Kato, H. and Nishikawa, K. and Westh, P.}
}
@article {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 {1521,
	title = {Why tert-butyl alcohol associates in aqueous solution but trimethylamine-N-oxide does not},
	journal = {Journal of Physical Chemistry B},
	volume = {110},
	number = {21},
	year = {2006},
	note = {ISI Document Delivery No.: 046XRTimes Cited: 14Cited Reference Count: 41},
	month = {Jun},
	pages = {10514-10518},
	type = {Article},
	abstract = {In dilute aqueous solution, tert-butyl alcohol (TBA) tends to aggregate but trimethylamine-N-oxide ( TMAO) does not. Given that both molecules have very similar geometry with hydrophobic and hydrophilic groups, it is interesting to ask why they behave so differently in aqueous solution. To explore this question, we use molecular dynamics simulations to study two models representing TBA and TMAO that differ essentially only in their electrostatic properties. It is shown that this difference is sufficient to give the different solution behavior. Furthermore, the principal difference identified is that the hydrophilic group of TMAO ( the oxygen) interacts on average much more strongly with water than the corresponding group ( the hydroxyl) of TBA. A hydrogen-bond analysis shows that water-TBA and water-TMAO hydrogen bonds are similar in number, but that the hydrogen-bond energy is much more negative for water-TMAO. In all likelihood, this accounts for the different behavior in dilute aqueous solution.},
	keywords = {BINARY-MIXTURES, CLATHRATE HYDRATE FORMATION, ELECTROLYTE SOLUTIONS, HYDROGEN-BOND DYNAMICS, HYDROPHOBIC INTERACTIONS, LIGHT-SCATTERING, LIQUID, MOLECULAR-DYNAMICS, SIMULATION, WATER MIXTURES},
	isbn = {1520-6106},
	url = {<Go to ISI>://000237844900046},
	author = {Paul, S. and Patey, G. N.}
}
@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 {5109,
	title = {Mixing schemes for aqueous dimethyl sulfoxide: Support by X-ray diffraction data},
	journal = {Journal of Solution Chemistry},
	volume = {30},
	number = {10},
	year = {2001},
	note = {ISI Document Delivery No.: 505UTTimes Cited: 19Cited Reference Count: 18},
	month = {Oct},
	pages = {885-893},
	type = {Article},
	abstract = {Aqueous dimethyl sulfoxide (DMSO) was studied by X-ray diffraction at room temperature. The results indicated that there are three distinct composition regions. In the DMSO-rich region, DMSO molecules retain the same molecular arrangement as in the pure, state, while H2O does not show any structural feature. These findings are in the complete agreement with the suggestion by our earlier thermodynamic study on aqueous DMSO.((1)) In the H2O-rich region, there is an indication that DMSO molecules exist as small clusters bound mainly by S=O dipole attraction. Hence, hydrophobic CH3 groups point outward from such a cluster and DMSO acts in effect as a hydrophobic solute. This is also consistent with the findings of our earlier thermodynamic study. In the intermediate region, a gradual change in the radial distribution function with composition was observed.},
	keywords = {aqueous DMSO, DIMETHYLSULFOXIDE, intensity, LIQUID, MIXING SCHEMES, NEUTRON-DIFFRACTION, PARTIAL MOLAR ENTHALPIES, WATER MIXTURES, x-ray diffraction},
	isbn = {0095-9782},
	url = {<Go to ISI>://000172934500003},
	author = {Koga,Yoshikata and Kasahara, Y. and Yoshino, K. and Nishikawa, K.}
}
