@article {1288,
	title = {Dynamics of the Staudinger reaction},
	journal = {J. Chem. Theory Comput.},
	volume = {1},
	number = {3},
	year = {2005},
	note = {ISI Document Delivery No.: 961TUTimes Cited: 6Cited Reference Count: 51},
	month = {May-Jun},
	pages = {353-362},
	type = {Article},
	abstract = {<p>The Staudinger reaction of phosphane and azide has been investigated by Atom-centered Density Matrix Propagation (ADMP) approach to ab initio molecular dynamics (AlMD) in combination with molecular orbital analysis within density functional theory. At room temperature, the reaction pathway with the cis initial attack dominates the Staudinger reaction. Electrostatic interaction, charge transfer, and covalent overlap are responsible for the initial attack and for the system to overcome the initial reaction barrier. The rotation Of PH3 and PH vibrations facilitate the isomerization of the system from cis intermediate to the last transition state, which indicates that small substituent groups on phosphane can facilitate the last stage of the Staudinger reaction. During the course of the reaction, the change of the average polarizability correlates positively to the change of the potential energy of the system, which clearly suggests that polar solvents can facilitate the overall reaction by stabilizing all transition states and reducing all reaction barriers.</p>},
	keywords = {BORN-OPPENHEIMER DYNAMICS, CAR-PARRINELLO, DENSITY-FUNCTIONAL SCHEME, FORCE-FIELD, GAUSSIAN-ORBITALS, INITIO MOLECULAR-DYNAMICS, MATRIX, PATH, PHOSPHAZIDE, X-RAY CRYSTAL},
	isbn = {1549-9618},
	url = {<Go to ISI>://000231685500002},
	author = {Tian, W. Q. and Y. A. Wang*}
}
@article {4811,
	title = {Quantitative NMR imaging study of the mechanism of drug release from swelling hydroxypropylmethylcellulose tablets},
	journal = {Journal of Controlled Release},
	volume = {68},
	number = {3},
	year = {2000},
	note = {ISI Document Delivery No.: 359DGTimes Cited: 41Cited Reference Count: 14},
	month = {Sep},
	pages = {313-333},
	type = {Article},
	abstract = {NMR imaging has been used to study the release behavior of two model drugs, triflupromazine-HCl and 5-fluorouracil, from swelling hydroxypropylmethylcellulose (HPMC) tablets. Preliminary experiments were performed on equilibrium mixtures of drug, polymer and water to determine how properties such as NMR relaxation parameters and self-diffusion were affected by the drug and polymer concentrations. The tablet swelling was restricted to one dimension and distributions of the water and model drugs were obtained by H-1 and F-19 imaging, respectively. The HPMC distribution at each time in the swelling process was determined indirectly from its effect on the relaxation parameters of the water and the drugs. In the one-dimensional swelling tablet, distributions of drug and polymer were compared to determine what factors influenced the release of drug from the swelling tablet. The distributions for triflupromazine-HCl and HPMC paralleled each other and the drug was only released at the eroding edge of the tablet where the HPMC concentration dropped below 10\%. In contrast, 5-fluorouracil was released much more rapidly from the tablet and appeared to escape by diffusion from regions as high as 30\% HPMC. An empirical measure of the rate of tablet edge movement can be obtained from plots of the edge position as a function of the square root of time. For HPMC, the rate of tablet expansion was determined in this way to be (2.4+/-0.8)x10(-6) cm(2) s(-1). The self-diffusion of triflupromazine-HCl in equilibrated mixtures of similar composition to the eroding tablet edge is similar to 3x10(-6) cm(2) s(-1) while the self-diffusion coefficient of 5-fluorouracil remained higher than this value until the HPMC concentration reached about 30\%. This comparison of {\textquoteright}diffusion{\textquoteright} properties may be useful in predicting the mechanism of drug release from other swelling hydrophilic matrix systems. (C) 2000 Elsevier Science B.V. All rights reserved.},
	keywords = {BEHAVIOR, DOSAGE FORMS, drug release, GEL LAYER, HPMC TABLETS, hydrophilic matrix tablets, hydroxypropylmethylcellulose (HPMC), MATRIX, NMR imaging},
	isbn = {0168-3659},
	url = {<Go to ISI>://000089595800001},
	author = {Fyfe, C. A. and Blazek-Welsh, A. I.}
}
@article {2868,
	title = {RHENIUM(V) AND TECHNETIUM(V) COMPLEXES OF BIDENTATE (0, 0) MONOBASIC 3-OXY-4-PYRONATO AND -4-PYRIDINONATO LIGANDS - X-RAY STRUCTURES OF CIS-BROMOBIS(3-METHYL-2-OXY-4-PYRONATO)OXORHENIUM(V), TETRA-N-BUTYLAMMONIUM TRIBROMO(3-METHYL-2-OXY-4-PYRONATO)OXORHENA},
	journal = {Inorganic Chemistry},
	volume = {32},
	number = {21},
	year = {1993},
	note = {ISI Document Delivery No.: MC686Times Cited: 27Cited Reference Count: 39},
	month = {Oct},
	pages = {4491-4497},
	type = {Article},
	abstract = {{A series of technetium(V) and rhenium(V) complexes of the form [MOXL2], where L is a bidentate (0, 0) monobasic ligand, 2-methyl-3-oxy-4-pyronate (maltolate, ma-) or 1,2-dimethyl-3-oxy-4-pyridinonate (dpp-), and X is a halo ligand},
	keywords = {3-HYDROXY-4-PYRIDINONES, aluminum, CHEMISTRY, CRYSTAL-STRUCTURE, MALTOL, MATRIX, NUCLEAR-MEDICINE, RADIOPHARMACEUTICALS, REACTIVITY, SCHIFF-BASES},
	isbn = {0020-1669},
	url = {<Go to ISI>://A1993MC68600005},
	author = {Luo, H. Y. and Rettig, S. J. and Orvig, Chris}
}
@article {7001,
	title = {EFFECT OF CHAIN-LENGTH ON ORIENTATIONAL ORDER OF A SERIES OF SHORT-CHAIN CARBOXYLIC-ACIDS DISSOLVED IN A NEMATIC LIQUID-CRYSTAL},
	journal = {Journal of Magnetic Resonance},
	volume = {95},
	number = {1},
	year = {1991},
	note = {ISI Document Delivery No.: GL020Times Cited: 1Cited Reference Count: 22},
	month = {Oct},
	pages = {32-40},
	type = {Article},
	keywords = {BARRIER, butane, MATRIX, MOLECULAR-STRUCTURE, NMR, PHASES, ROTATION, SPIN-ECHO SPECTROSCOPY},
	isbn = {0022-2364},
	url = {<Go to ISI>://A1991GL02000003},
	author = {Delikatny, E. J. and Heldman, M. A. and Burnell, E. E.}
}
