@inbook {doi:10.1002/9780470034590.emrstm1477,
	title = {Molecular Hydrogens Dissolved in Liquid Crystals},
	booktitle = {eMagRes},
	year = {2016},
	pages = {901-912},
	publisher = {American Cancer Society},
	organization = {American Cancer Society},
	abstract = {Abstract The NMR spectra of molecular hydrogen isotopologs dissolved and orientationally ordered in nematic liquid-crystal solvents provide a wealth of information. Because they are quantum rotors, the various isotopologs H 2 , D 2 , T 2 , HD, HT, and DT have different order parameters, with larger internuclear distance having smaller order parameter. The signs and magnitudes of the order parameters are liquid-crystal dependent, this being a direct result of the dominant anisotropic intermolecular interaction being that between the solute quadrupole moment and the mean liquid-crystal electric-field gradient (EFG) felt by the solute. Thus, the mixing of different liquid crystals can produce a solvent where molecular hydrogen feels a zero EFG, called a magic mixture. The remaining, dominant anisotropic interaction (for solutes larger than hydrogen) in these magic mixtures involves short-range anisotropic forces that depend on solute size and shape. Studies involving the very symmetrical methane H, D, and T isotopologs point out the important effect on dipolar couplings of molecular vibrations and interactions between molecular vibration and reorientation, effects which make it impossible to utilize fully the high accuracy with which dipolar couplings in general can be measured.},
	keywords = {ANISOTROPIC, electric field gradient, HYDROGEN, liquid crystal, METHANE, NMR, order parameter, ordered liquids, ORIENTATION, VIBRATIONS},
	isbn = {9780470034590},
	doi = {10.1002/9780470034590.emrstm1477},
	url = {https://onlinelibrary.wiley.com/doi/abs/10.1002/9780470034590.emrstm1477},
	author = {Burnell, E. Elliott and de Lange, Cornelis A.}
}
@article {1068,
	title = {NMR as a tool in the investigation of fundamental problems in ordered liquids},
	journal = {Solid State Nuclear Magnetic Resonance},
	volume = {28},
	number = {2-4},
	year = {2005},
	note = {ISI Document Delivery No.: 998NHTimes Cited: 9Cited Reference Count: 49},
	month = {Sep},
	pages = {73-90},
	type = {Article},
	abstract = {An overview is presented of modern NMR techniques and a variety of experimental and theoretical tools employed in the study of solutes dissolved in liquid crystals. The NMR techniques involve multiple quantum and spectral subtraction methods, In addition, various experimental and theoretical tools are discussed, including: the theoretical background of observed order parameters; the use of,magic mixtures{\textquoteright} to separate orientational contributions; the reorientation-vibration interaction; the use of model calculations based on size and shape of the various solutes; and the use of computer simulations. Applications to the benchmark probe molecules hydrogen, methane, ethane, and butane and their isotopomers are treated. (c) 2005 Elsevier Inc. All rights reserved.},
	keywords = {ANISOTROPIC LIQUIDS, butane, ethane, H-2 NMR, HYDROGEN, INTERNAL-ROTATION, liquid crystal, METHANE, MOLECULES, MOLEKULAR-STATISTISCHE THEORIE, MULTIPLE-QUANTUM NMR, NEMATISCHEN KRISTALLINFLUSSIGEN PHASE, NMR, NUCLEAR-MAGNETIC-RESONANCE, order parameter, orientational order, PROTON DIPOLAR COUPLINGS, SMALL CHAIN},
	isbn = {0926-2040},
	url = {<Go to ISI>://000234325100003},
	author = {Burnell, E. E. and de Lange, C. A.}
}
@article {4780,
	title = {Analysis of the dynamic properties of Bacillus circulans xylanase upon formation of a covalent glycosyl-enzyme intermediate},
	journal = {Protein Science},
	volume = {9},
	number = {3},
	year = {2000},
	note = {ISI Document Delivery No.: 295XWTimes Cited: 16Cited Reference Count: 56},
	month = {Mar},
	pages = {512-524},
	type = {Article},
	abstract = {NMR spectroscopy was used to search for mechanistically significant differences in the local mobility of the main-chain amides of Bacillus circulans xylanase (BCX) in its native and catalytically competent covalent glycosyl-enzyme intermediate states. N-15 T-1, T-2, and N-15{H-1} NOE values were measured for similar to 120 out of 178 peptide groups in both the apo form of the protein and in BCX covalently modified at position Glu78 with a mechanism-based 2-deoxy-2-fluoro-beta-xylobioside inactivator. Employing the model-free formalism of Lipari and Szabo, the measured relaxation parameters were used to calculate a global correlation time ( tau(m)) for the protein in each form (9.2 +/- 0.2 ns for apo-BCX; 9.8 +/- 0.3 ns for the modified protein), as well as individual order parameters for the main-chain NH bond vectors. Average values of the order parameters for the protein in the apo and complexed forms were S-2 = 0.86 +/- 0.04 and S-2 = 0.91 +/- 0.04, respectively. No correlation is observed between these order parameters and the secondary structure, solvent accessibility, or hydrogen bonding patterns of amides in either form of the protein. These results demonstrate that the backbone of BCX is well ordered in both states and that formation of the,glycosyl-enzyme intermediate leads to little change, in any, in the dynamic properties of BCX on the time scales sampled by N-15-NMR relaxation measurements.},
	keywords = {ACTIVE-SITE NUCLEOPHILE, ANISOTROPIC ROTATIONAL, BACKBONE DYNAMICS, BINDING, BURIED NEUTRAL HISTIDINE, DIFFUSION, glucanase, GLYCOSYL-ENZYME INTERMEDIATE, MAGNETIC-RESONANCE RELAXATION, MODEL-FREE APPROACH, N-15 NMR RELAXATION, NMR, order parameter, PROTEIN, PROTEINS, relaxation dynamics, SIDE-CHAIN RESONANCES, STRUCTURE},
	isbn = {0961-8368},
	url = {<Go to ISI>://000085994800009},
	author = {Connelly, G. P. and Withers, S. G. and McIntosh, L. P.}
}
@article {4676,
	title = {NMR and molecular structure of partially oriented mono and para methyl- and chlorobenzenes dissolved in nematic liquid crystals},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {77},
	number = {11},
	year = {1999},
	note = {ISI Document Delivery No.: 253FETimes Cited: 8Cited Reference Count: 69},
	month = {Nov},
	pages = {1761-1774},
	type = {Article},
	abstract = {Spectral parameters, order parameters, and structural parameters, including the vibrationally corrected r(alpha) structure of the partially oriented solutes p-xylene, p-chlorotoluene, p-dichlorobenzene, toluene, and chlorobenzene dissolved in three liquid crystal mixtures, are reported. For samples containing the three solutes p-xylene, p-dichlorobenzene, and 1,3,5-trichlorobenzene, multiple quantum (MQ) nuclear magnetic resonance was used to aid in the analysis of the complex high-resolution spectra of the g-xylene. The high-resolution spectra of 1,3,5-trichlorobenzene and p-dichlorobenzene were easily identified and analyzed once the calculated p-xylene spectrum was subtracted from the experimental one. The methyl groups of p-xylene, p-chlorotoluene, and toluene have similar geometries when the structure is determined from dipolar couplings corrected for harmonic vibrations.},
	keywords = {ELECTRIC-DIPOLE INTERACTIONS, EXCITATION, H-2 NMR, MAGNETIC-RESONANCE, MEAN TORQUE, molecular structure, MULTIPLE-QUANTUM NMR, nematic liquid crystal, NMR, ORDER MATRIX, order parameter, SELECTIVE, SOLUTES, SOLVENTS, SPECTRA},
	isbn = {0008-4042},
	url = {<Go to ISI>://000083545300009},
	author = {Syvitski, R. T. and Burnell, E. E.}
}
