@article {1513,
	title = {The interaction of patterned solutes in binary solvent mixtures},
	journal = {Journal of Chemical Physics},
	volume = {124},
	number = {9},
	year = {2006},
	note = {ISI Document Delivery No.: 019IHTimes Cited: 1Cited Reference Count: 44},
	month = {Mar},
	pages = {11},
	type = {Article},
	abstract = {Mean solute-solute forces and solute-induced solvent structure are investigated for pairs of chemically patterned (patched) solutes in binary mixtures near demixing coexistence. The isotropic and anisotropic hypernetted-chain integral equation theories as well as a superposition approximation are solved and compared. The patched solutes consist of one end that favors the majority species in the mixture while the other end favors the minority species. A wide range of patch sizes is considered. The isotropic and anisotropic theories are found to be in good agreement for most orientations, including the most attractive and most repulsive configurations. However, some differences arise for asymmetrical orientations where unlike ends of the solute particles face each other. In contrast, superposition often gives a rather poor approximation to the mean force, even though the results obtained for the solvent densities agree qualitatively with the anisotropic theory. The mean force is sensitive to small differences in the densities particularly near demixing. For patched solutes the influence of demixinglike behavior is evident both in the orientational dependence and in the range of the mean force acting between solutes. (c) 2006 American Institute of Physics.},
	keywords = {BRIDGE DIAGRAM SERIES, FLUID, HARD-SPHERES, HYDROPHOBIC SURFACES, LENNARD-JONES, LIQUID MIXTURES, MACROPARTICLES, PHASE-TRANSITION, RANGE, SPHERICALLY INHOMOGENEOUS FLUIDS, WATER},
	isbn = {0021-9606},
	url = {<Go to ISI>://000235828300034},
	author = {Overduin, S. D. and Patey, G. N.}
}
@article {1107,
	title = {Enumeration algorithm for determination of binding constants in capillary electrophoresis},
	journal = {Analytical Chemistry},
	volume = {77},
	number = {8},
	year = {2005},
	note = {ISI Document Delivery No.: 919FZTimes Cited: 11Cited Reference Count: 16},
	month = {Apr},
	pages = {2415-2420},
	type = {Article},
	abstract = {With more accurate simulation models and more efficient algorithms becoming available, the binding constants of an affinity interaction can be obtained from much simpler experiments using capillary electrophoresis. With the enumeration algorithm, all possible combinations of the binding constant and the complex mobility in certain ranges that could result in the experimental migration time of an injected analyte are extracted from a 3-D surface, which depicts the migration times resulting from different values of the binding constant and the mobility of the complex formed between the interacting pair, to form a 2-D curve. When the experimental conditions are changed, the analyte migration time will also change. A new 2-D curve can be constructed from another 3-D surface on the basis of the pairs of binding constants and complex mobility values that could result in the new migration time. Because the true binding constant and complex mobility values have to be the same for both experimental conditions under the same temperature, there has to be a point where both 2-D curves will converge. The coordinates of the converging point give the values for a binding constant and a complex mobility that will fit all 2-D curves generated under certain experimental conditions. p-Nitrophenol is used as the analyte, beta-cyclodextrin is used as the additive, and a one-cell model is used to simulate affinity CE. The experimental conditions that can improve the accuracy of the binding constants are discussed.},
	keywords = {DYNAMIC COMPLEXATION, ERROR PROPAGATION, MIGRATION BEHAVIOR, MONTE-CARLO-SIMULATION, NUMERICAL-SIMULATION, QUANTITATIVE DESCRIPTION, RANGE, RECTANGULAR HYPERBOLAE, SEPARATION, ZONE-ELECTROPHORESIS},
	isbn = {0003-2700},
	url = {<Go to ISI>://000228605100018},
	author = {Fang, N. and Chen, D. D. Y.}
}
@article {1224,
	title = {Solvent phase behavior and the interaction of uniform and patterned solutes},
	journal = {Journal of Chemical Physics},
	volume = {123},
	number = {19},
	year = {2005},
	note = {ISI Document Delivery No.: 985CHTimes Cited: 2Cited Reference Count: 42},
	month = {Nov},
	pages = {10},
	type = {Article},
	abstract = {Isotropic and anisotropic hypernetted-chain (HNC) integral equation theories are used to obtain the interaction of solutes both near and far from the solvent liquid-vapor coexistence. Spherically symmetrical and chemically patterned (patched) solutes are considered, and the influences of particle and patch sizes are investigated. Solvophilic and solvophobic solutes (or patches) are examined. Near coexistence, in the solvophobic case drying like behavior occurs for solutes (patches) of sufficient size. This gives rise to relatively long ranged attractive forces that are strongly orientation dependent for the patched solute particles. We also report grand canonical Monte Carlo results for a pair of spherically symmetric solutes. This demonstrates that the anisotropic HNC theory gives qualitatively correct solvent structure in the vicinity of the solutes. Comparison with previous simulations also shows that the solute-solute potentials of mean force given by the anisotropic theory are more accurate (particularly at small separations) than those obtained using the isotropic method. (c) 2005 American Institute of Physics.},
	keywords = {BINARY-FLUID MIXTURE, BRIDGE DIAGRAM SERIES, HYDROPHOBIC SURFACES, INTEGRAL-EQUATION, LENNARD-JONES FLUIDS, MACROPARTICLES, MEAN FORCE, RANGE, SPHERICALLY INHOMOGENEOUS FLUIDS, TRANSITION},
	isbn = {0021-9606},
	url = {<Go to ISI>://000233353200029},
	author = {Overduin, S. D. and Patey, G. N.}
}
@article {620,
	title = {Molecular interaction in capillary electrophoresis},
	journal = {Current Opinion in Biotechnology},
	volume = {14},
	number = {1},
	year = {2003},
	note = {ISI Document Delivery No.: 645XTTimes Cited: 37Cited Reference Count: 22},
	month = {Feb},
	pages = {126-130},
	type = {Review},
	abstract = {At the present time, affinity capillary electrophoresis is a well-established method for the measurement of binding constants involving 1:1 interactions. Many recent applications of this technique have illustrated its versatility. If affinity capillary electrophoresis is to be widely applied to the study of all types of interactions it is imperative that we consider that higher order interactions may be present. Applying proper equations or developing new models appropriate to the description of such systems is essential to obtaining reliable binding information.},
	keywords = {ANALYTE MIGRATION BEHAVIOR, BINDING, CONSTANTS, ERROR PROPAGATION, HUMAN SERUM-ALBUMIN, MONTE-CARLO, RANGE, RECTANGULAR HYPERBOLAE, SIMULATION},
	isbn = {0958-1669},
	url = {<Go to ISI>://000181006300018},
	author = {Galbusera, C. and Chen, D. D. Y.}
}
@article {384,
	title = {Affinity capillary electrophoresis using a low-concentration additive with the consideration of relative mobilities},
	journal = {Analytical Chemistry},
	volume = {74},
	number = {8},
	year = {2002},
	note = {ISI Document Delivery No.: 541BPTimes Cited: 24Cited Reference Count: 28},
	month = {Apr},
	pages = {1903-1914},
	type = {Article},
	abstract = {Most affinity studies in capillary electrophoresis assume that the analyte concentration is much smaller than the additive concentration so that the migration of the analyte has no effect on the concentration of the additive in the capillary. However, in most medium- to high-affinity interactions, the additive concentration has to be kept rather low to observe the changes in analyte mobility before saturation is reached. In this paper, a mathematical model is developed to describe the migration behavior of the analyte in a system where the complex formed becomes concentrated to levels much greater than the original concentration of the additive due to the differences in the mobilities of the analyte, additive, and complex. The analyte is flurbiprofen, the additive is transthyretin, and the stoichiometry of the reaction between the two is 1:2. This study also provides a new algorithm to determine medium- to high-affinity binding interaction constants by CE.},
	keywords = {BINDING, CONSTANTS, DRUG-PROTEIN, ERROR PROPAGATION, LIGANDS, MONTE-CARLO SIMULATION, RANGE, RECTANGULAR HYPERBOLAE, SURFACE-PLASMON RESONANCE, TRANSTHYRETIN},
	isbn = {0003-2700},
	url = {<Go to ISI>://000174965600022},
	author = {Galbusera, C. and Thachuk, M. and De Lorenzi, E. and Chen, D. D. Y.}
}
@article {3650,
	title = {Addition kinetics and spin exchange in the gas phase reaction of the ethyl radical with oxygen},
	journal = {Journal of Physical Chemistry},
	volume = {100},
	number = {16},
	year = {1996},
	note = {ISI Document Delivery No.: UF879Times Cited: 21Cited Reference Count: 58},
	month = {Apr},
	pages = {6561-6571},
	type = {Article},
	abstract = {The kinetics of the addition reaction of O-2 to the ethyl radical has been investigated as a function of temperature (259-425 K) and pressure (1.5-60 bar) using the muon spin relaxation technique in longitudinal magnetic fields. Within this temperature range at 1.5 bar, the chemical reaction is represented by an Arrhenius rate law with an activation energy of -4.4(4) kJ mol(-1) and an apparent frequency factor of 1.3(2) x 10(-12) cm(3) molecule(-1) s(-1). The high-pressure limit of the rate constant at 294 K amounts to k(ch)(infinity) = 8.7(8) x 10(-12) cm(3) molecule(-1) s(-1). Within error, this limit has been reached at 1.5 bar. The rate coefficient for spin exchange, k(ex) = 2.8(2) x 10(-10) cm(3) molecule(-1) s(-1), is collision controlled. The results for k(ch) agree well with experimental literature values, but the temperature dependence is more pronounced than that predicted on the basis of a RRKM extrapolation from low-pressure data. The theoretical basis for the analysis of experimental data is given, and the results are discussed.},
	keywords = {DEPENDENCE, DYNAMICS, LIQUIDS, muonium, O-2, PARAMETERS, RANGE, RATE CONSTANTS, relaxation, SPECTRA},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1996UF87900032},
	author = {Dilger, H. and Schwager, M. and Tregennapiggott, P. L. W. and Roduner, E. and Reid, I. D. and Arseneau, D. J. and Pan, J. J. and Senba, M. and Shelley, M. and Fleming, Donald G.}
}
@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 {3368,
	title = {MICROWAVE MILLIMETER-WAVE DOUBLE-RESONANCE EXPERIMENTS ON AR-CO},
	journal = {Journal of Chemical Physics},
	volume = {102},
	number = {9},
	year = {1995},
	note = {ISI Document Delivery No.: QH968Times Cited: 35Cited Reference Count: 27},
	month = {Mar},
	pages = {3587-3592},
	type = {Article},
	keywords = {CARBON-MONOXIDE, FOURIER-TRANSFORM SPECTROSCOPY, PULSED MOLECULAR-BEAM, RADIOFREQUENCY, RANGE, SPECTROMETER},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1995QH96800008},
	author = {Jager, W. and Gerry, M. C. L.}
}
@article {3403,
	title = {Speeds of sound and isothermal compressibilities in the water-rich region of aqueous 2-butoxyethanol and 2-butanone at 25 degrees C},
	journal = {Journal of Solution Chemistry},
	volume = {24},
	number = {11},
	year = {1995},
	note = {ISI Document Delivery No.: TV702Times Cited: 8Cited Reference Count: 25},
	month = {Nov},
	pages = {1125-1133},
	type = {Article},
	abstract = {Speeds of sound were measured at 25 degrees C in the water-rich region of aqueous 2-butoxyethanol (BE) and 2-butanone (BUT). Density, heat capacity, and thermal expansivity data available in literature were used to calculate isothermal compressibilities, kappa(T). The composition derivative, N(partial derivative kappa(T)/partial derivative n(B)), a third derivative of Gibbs free energy, showed a peak anomaly at x(BE) = 0.0175 for BE-H2O, and bend at x(BUT) = 0.033 for BUT-H2O. n(B) (n(BE) or n(BUT)) is the amount of the solute and x(BE) and x(BUT) are the respective mole fractions. The location of these anomalies were the same as those of other third derivatives found earlier for the same aqueous solutions. These anomalies were shown earlier to mark the transition point across which the mixing scheme changes in a qualitative fashion.},
	keywords = {2-BUTANONE, 2-BUTOXYETHANOL, anomaly in the third derivative, aqueous solutions, ENTHALPIES, HEAT-CAPACITIES, isothermal compressibility, MIXING SCHEME, MIXTURES, of mixing scheme, PARTIAL MOLAR VOLUMES, RANGE, speed of sound, SYSTEMS, TRANSITION},
	isbn = {0095-9782},
	url = {<Go to ISI>://A1995TV70200004},
	author = {Koga,Yoshikata and Tamura, K. and Murakami, S.}
}
@article {3205,
	title = {MICROWAVE SPECTROSCOPIC INVESTIGATION OF THE MIXED RARE-GAS VAN-DER-WAALS TRIMERS NE2-KR AND NE2-XE},
	journal = {Journal of Chemical Physics},
	volume = {100},
	number = {6},
	year = {1994},
	note = {ISI Document Delivery No.: NA918Times Cited: 27Cited Reference Count: 45},
	month = {Mar},
	pages = {4171-4180},
	type = {Article},
	abstract = {Pure rotational spectra of six isotopomers of the rare gas trimer Ne-2-Kr and five isotopomers of the trimer Ne-2-Xe have been measured in their ground vibrational states using a Balle-Flygare-type cavity pulsed microwave Fourier transform spectrometer. Rotational constants have been evaluated, from which the geometries of the complexes have been derived. In the case of Ne-2-Kr it has been possible to obtain centrifugal distortion constants and to carry out a force field analysis. The magnitudes of the induced dipole moments of these trimers have been estimated from the {\textquoteright}{\textquoteright}pi/2 condition.{\textquoteright}{\textquoteright} The nuclear quadrupole hyperfine patterns due to Kr-83 and Xe-131 have been resolved, and the corresponding quadrupole coupling constants have been obtained. Observation of the spectra of these fundamental trimers has made it possible to compare their properties to those of their constituent rare gas dimers. The effects of three-body nonpairwise additive forces have been discussed in light of the structures obtained, the estimated induced dipole moments, and the nuclear quadrupole coupling constants.},
	keywords = {ABSORPTION-SPECTRA, AR2HCL, interactions, INTERATOMIC POTENTIALS, laser spectroscopy, POTENTIAL-ENERGY CURVE, RANGE, ROTATIONAL SPECTRA, TRIPLET DIPOLES, VANDERWAALS CLUSTER, XE},
	isbn = {0021-9606},
	url = {<Go to ISI>://A1994NA91800014},
	author = {Xu, Y. J. and Jager, W. and Gerry, M. C. L.}
}
