@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 {1044,
	title = {NMR measurement of smectic ordering and nematic-smectic-A coupling in a liquid crystal},
	journal = {Chemical Physics Letters},
	volume = {398},
	number = {4-6},
	year = {2004},
	note = {ISI Document Delivery No.: 867OVTimes Cited: 11Cited Reference Count: 31},
	month = {Nov},
	pages = {517-521},
	type = {Article},
	abstract = {The nuclear magnetic resonance (NMR) spectra of three substituted benzenes as solutes in the liquid crystal 8CB were investigated. The orientational order of all solutes was obtained in the nematic and smectic-A phases. A change in temperature dependence of orientational ordering was observed at the nematic to smectic-A phase transition. We analyzed these results via Kobayashi-McMillan theory applied to solutes, i.e. by incorporating smectic-A layering and nematic smectic-A coupling into a mean-field orientational Hamiltonian. By fitting to experiment, we fully determined Hamiltonian prefactors. The nematic smectic coupling, determined for the first time by NMR, appears solute independent. Solute smectic-A order parameters were self-consistently determined. (C) 2004 Published by Elsevier B.V.},
	keywords = {BINARY-MIXTURES, FIELD, NUCLEAR-MAGNETIC-RESONANCE, orientational order, PHASE-TRANSITION, SHAPE, SOLUTES, TEMPERATURE-DEPENDENCE, TRICRITICAL POINT},
	isbn = {0009-2614},
	url = {<Go to ISI>://000224852800044},
	author = {Yethiraj, A. and Sun, Z. M. and Dong, R. Y. and Burnell, E. E.}
}
@article {2983,
	title = {COMPARISON OF SHORT-RANGE INTERACTIONS IN NEMATIC LIQUID-CRYSTALS - A H-2-NMR STUDY OF 5CB-D(19) AS A SOLUTE},
	journal = {Liquid Crystals},
	volume = {17},
	number = {4},
	year = {1994},
	note = {ISI Document Delivery No.: PH470Times Cited: 4Cited Reference Count: 42},
	month = {Oct},
	pages = {457-485},
	type = {Article},
	abstract = {Previous studies using dideuterium as a solute have demonstrated the importance for orientation of the interaction between the solute molecular quadrupole moment and the average electric field gradient present in liquid crystals. With the aim of learning about additional orientational mechanisms, we have studied the temperature dependence of the H-2-NMR spectra of the liquid crystal 5CB-d(19) as the solute in three liquid crystal mixtures: 55 wt \% 1132/EBBA, 56.5 wt \% 1132/EBBA and 70 wt \% 5CB/EBBA. In these mixtures, the contribution from the environment to the average electric field gradient at the H-2 nucleus of dideuterium is zero. The spectra of 5CB-d(19) in the mixtures 55 wt \% 1132/EBBA and 56.5 wt \% 1132/EBBA are equivalent, but are different from those in 70 wt \% 5CB/EBBA. The spectra of 5CB in 55 wt \% 1132/EBBA and 70 wt \% 5CB/EBBA are analysed using two different models for the short range potential, and parameters of the models are used to compare the potentials in the different mixtures. For a given spectral splitting of the chain C-1 deuteron, the reduced short range potential is the same in all three mixtures studied. The spectral differences observed are a consequence of different nematic-isotropic phase transition temperatures combined with the effect of trans/gauche-isomerization in the hydrocarbon chain.},
	keywords = {BINARY-MIXTURES, EQUILIBRIUM, FLEXIBILITY, MAGNETIC-RESONANCE, MOLECULAR-STRUCTURE, MULTIPLE-QUANTUM NMR, NORMAL-BUTANE, orientational order, RAMAN-SPECTRA, SPECTROSCOPY},
	isbn = {0267-8292},
	url = {<Go to ISI>://A1994PH47000001},
	author = {Chandrakumar, T. and Zimmerman, D. S. and Bates, G. S. and Burnell, E. E.}
}
@article {2983,
	title = {COMPARISON OF SHORT-RANGE INTERACTIONS IN NEMATIC LIQUID-CRYSTALS - A H-2-NMR STUDY OF 5CB-D(19) AS A SOLUTE},
	journal = {Liquid Crystals},
	volume = {17},
	number = {4},
	year = {1994},
	note = {ISI Document Delivery No.: PH470Times Cited: 4Cited Reference Count: 42},
	month = {Oct},
	pages = {457-485},
	type = {Article},
	abstract = {Previous studies using dideuterium as a solute have demonstrated the importance for orientation of the interaction between the solute molecular quadrupole moment and the average electric field gradient present in liquid crystals. With the aim of learning about additional orientational mechanisms, we have studied the temperature dependence of the H-2-NMR spectra of the liquid crystal 5CB-d(19) as the solute in three liquid crystal mixtures: 55 wt \% 1132/EBBA, 56.5 wt \% 1132/EBBA and 70 wt \% 5CB/EBBA. In these mixtures, the contribution from the environment to the average electric field gradient at the H-2 nucleus of dideuterium is zero. The spectra of 5CB-d(19) in the mixtures 55 wt \% 1132/EBBA and 56.5 wt \% 1132/EBBA are equivalent, but are different from those in 70 wt \% 5CB/EBBA. The spectra of 5CB in 55 wt \% 1132/EBBA and 70 wt \% 5CB/EBBA are analysed using two different models for the short range potential, and parameters of the models are used to compare the potentials in the different mixtures. For a given spectral splitting of the chain C-1 deuteron, the reduced short range potential is the same in all three mixtures studied. The spectral differences observed are a consequence of different nematic-isotropic phase transition temperatures combined with the effect of trans/gauche-isomerization in the hydrocarbon chain.},
	keywords = {BINARY-MIXTURES, EQUILIBRIUM, FLEXIBILITY, MAGNETIC-RESONANCE, MOLECULAR-STRUCTURE, MULTIPLE-QUANTUM NMR, NORMAL-BUTANE, orientational order, RAMAN-SPECTRA, SPECTROSCOPY},
	isbn = {0267-8292},
	url = {<Go to ISI>://A1994PH47000001},
	author = {Chandrakumar, T. and Zimmerman, D. S. and Bates, G. S. and Burnell, E. E.}
}
