@article {648,
	title = {Revealing system dynamics through decomposition of the perturbation domain in two-dimensional correlation spectroscopy},
	journal = {Applied Spectroscopy},
	volume = {57},
	number = {12},
	year = {2003},
	note = {ISI Document Delivery No.: 753MHTimes Cited: 5Cited Reference Count: 36},
	month = {Dec},
	pages = {1551-1560},
	type = {Article},
	abstract = {A technique is presented to simply and effectively decompose the perturbation domain in two-dimensional (2D) correlation maps calculated on a given set of vibrational spectra. Decomposition of the perturbation domain exposes a wealth of kinetic information complementary to the information extracted from conventional 2D correlation spectroscopy. It is shown that the technique produces "perturbation profile maps" that can be utilized in both the interpretation of the conventional 2D correlation maps and the independent kinetic analysis of the given system. Discrimination between spectral features exhibiting similar, but not identical, dynamics is facilitated by the decomposition, and spectral features exhibiting identical dynamics over the perturbation interval are quickly identified. Spectral features exhibiting similar dynamics over only a sub-range of the full perturbation are also identifiable. Interpretation of phase information illuminated in synchronous and asynchronous maps is simplified. Comparison between similar spectral features present in different samples is facilitated with the technique. The simplicity and ease of implementation of the technique make decomposition of the perturbation domain a valuable addition to the tools available in 2D correlation analysis.},
	keywords = {cross-correlation, FT-RAMAN, HUMAN, INFRARED CORRELATION SPECTROSCOPY, multivariate data, POLYACRYLAMIDE GELS, POLYMER GEL DOSIMETERS, RADIATION-DOSIMETRY, Raman spectroscopy, SAMPLE-SAMPLE, SECONDARY STRUCTURE, SERUM-ALBUMIN, SPECTRA, STRUCTURAL-CHANGES, two-dimensional correlation spectroscopy},
	isbn = {0003-7028},
	url = {<Go to ISI>://000187234800013},
	author = {Jirasek, A. and Schulze, G. and Blades, M. W. and Turner, R. F. B.}
}
@article {648,
	title = {Revealing system dynamics through decomposition of the perturbation domain in two-dimensional correlation spectroscopy},
	journal = {Applied Spectroscopy},
	volume = {57},
	number = {12},
	year = {2003},
	note = {ISI Document Delivery No.: 753MHTimes Cited: 5Cited Reference Count: 36},
	month = {Dec},
	pages = {1551-1560},
	type = {Article},
	abstract = {A technique is presented to simply and effectively decompose the perturbation domain in two-dimensional (2D) correlation maps calculated on a given set of vibrational spectra. Decomposition of the perturbation domain exposes a wealth of kinetic information complementary to the information extracted from conventional 2D correlation spectroscopy. It is shown that the technique produces "perturbation profile maps" that can be utilized in both the interpretation of the conventional 2D correlation maps and the independent kinetic analysis of the given system. Discrimination between spectral features exhibiting similar, but not identical, dynamics is facilitated by the decomposition, and spectral features exhibiting identical dynamics over the perturbation interval are quickly identified. Spectral features exhibiting similar dynamics over only a sub-range of the full perturbation are also identifiable. Interpretation of phase information illuminated in synchronous and asynchronous maps is simplified. Comparison between similar spectral features present in different samples is facilitated with the technique. The simplicity and ease of implementation of the technique make decomposition of the perturbation domain a valuable addition to the tools available in 2D correlation analysis.},
	keywords = {cross-correlation, FT-RAMAN, HUMAN, INFRARED CORRELATION SPECTROSCOPY, multivariate data, POLYACRYLAMIDE GELS, POLYMER GEL DOSIMETERS, RADIATION-DOSIMETRY, Raman spectroscopy, SAMPLE-SAMPLE, SECONDARY STRUCTURE, SERUM-ALBUMIN, SPECTRA, STRUCTURAL-CHANGES, two-dimensional correlation spectroscopy},
	isbn = {0003-7028},
	url = {<Go to ISI>://000187234800013},
	author = {Jirasek, A. and Schulze, G. and Blades, M. W. and Turner, R. F. B.}
}
@article {447,
	title = {Nonequilibrium molecular dynamics simulations of a simple dipolar fluid under shear flow},
	journal = {Journal of Chemical Physics},
	volume = {117},
	number = {6},
	year = {2002},
	note = {ISI Document Delivery No.: 577BXTimes Cited: 12Cited Reference Count: 71},
	month = {Aug},
	pages = {2747-2761},
	type = {Article},
	abstract = {Nonequilibrium molecular dynamics (NEMD) simulations are used to investigate the behavior of a fluid of dipolar Lennard-Jones (LJ) particles under planar Couette flow. Such systems can be viewed as simple models for magnetic ferrofluids. Various issues that arise in such simulations are discussed. These include the importance of the long-range dipolar forces, the influence of different thermostats, and the induction of orientational order. The shear viscosity is found to be somewhat sensitive to the treatment of the dipolar interactions with spherical truncation giving lower values than Ewald sums. The system considered is characterized by a moderate dipole moment, and strong orientational order does not develop at low shear rates. However, the direction of the weak polarization correlates with the shear-induced distortion of the fluid structure. At very high shear rates the fluid behavior depends on the thermostat applied. While the results are not strongly sensitive to details of the rotational thermostat, this is not the case for translational motion. A translationally biased thermostat leads to a string phase, although string formation requires significantly higher shear rates for the dipolar fluid than for the corresponding LJ system. For the dipolar fluid, the string phase is accompanied by strong orientational ordering perpendicular to the flow for Ewald sums and with the flow for the spherically truncated case. In the Ewald systems the order was ferroelectric for conducting boundary conditions, and an antiferroelectric domain structure formed in the vacuum case. For the truncated potential individually polarized chains are randomly oriented with or against the flow. The string phase and the orientational ordering disappears when the translationally unbiased thermostat of Evans and co-workers is employed. Some NEMD simulations with oscillating shear were also performed. These yielded layer structures and again strong orientational order in the dipolar case. (C) 2002 American Institute of Physics.},
	keywords = {BOUNDARY-CONDITIONS, COMPUTER, HARD-SPHERE FLUID, INDUCED ORDER, LIQUID-CRYSTAL, MONTE-CARLO, NEMATIC PHASES, PAIR-CORRELATION-FUNCTION, STRUCTURAL-CHANGES, VISCOSITY},
	isbn = {0021-9606},
	url = {<Go to ISI>://000177042800034},
	author = {McWhirter, J. L. and Patey, G. N.}
}
@article {5203,
	title = {Adsorption of DOPC onto Hg from the G|S interface and from a liposomal suspension},
	journal = {Journal of Electroanalytical Chemistry},
	volume = {516},
	number = {1-2},
	year = {2001},
	note = {ISI Document Delivery No.: 507LLTimes Cited: 21Cited Reference Count: 53},
	month = {Dec},
	pages = {73-82},
	type = {Article},
	abstract = {The adsorption of various physical forms of dioleoyl phosphatidylcholine (DOPC) onto a Hg electrode have been studied. The three systems investigated were adsorption of DOPC from the monolayer state present on the gas \ solution (G \ S) interface, the adsorption of 100 nm DOPC liposomes present in the electrolyte, and a mixed system consisting of the co-adsorption of the monolayer and liposomes. The adsorption was characterized by capacitance measurements, chronoamperometry and impedance spectroscopy. The adsorbed layer produced by liposome adsorption was distinctly different as compared to the layer adsorbed from the G \ S interface, whereas the co-adsorbed layer retained most of the liposome layer qualities. A low capacitance region, centered at - 0.40 V (SCE) with values of 1.85, and 1.45 muF cm(-2) for the G \ S and the liposome system were, respectively observed. This region was stable with respect to very negative potential cycling only for the liposome systems. Three phase transitions (denoted by pseudo-capacitance peaks) were noted for the three systems under study; two corresponding to a change in the adsorbed state, and one corresponding to the adsorption-desorption process. The kinetics of these changes were quite different and depended on the nature of the adsorbing species. The most significant differences were observed when measuring the capacity over a large range of perturbation frequency. At low frequencies, desorption of the DOPC layer was observed at very negative potentials for all the systems studied. As the perturbation frequency was increased, the capacitance measured for the G \ S system maintained this characteristic, but surprisingly this was not the case for the liposome systems. In both cases (liposome and co-adsorbed) the capacity, calculated assuming a series RC circuit, was found to be significantly lower than the capacity measured for the Hg \ 0.1 M KCl interface. Preliminary impedance spectra are presented illustrating the non-ideal behavior of the liposomal system. This phenomenon is undergoing further study. A possible mechanism for the adsorption of DOPC from the liposomal state is also presented. (C) 2001 Elsevier Science B.V. All rights reserved.},
	keywords = {AGGREGATION PROCESSES, CAPACITANCE, CYTOCHROME-C-OXIDASE, ELECTRIFIED INTERFACES, GRAMICIDIN CHANNEL FUNCTION, INDUCED, lipid monolayer, liposome adsorption, mercury, MERCURY-ELECTROLYTE INTERFACE, phase change kinetics, PHASE-TRANSITIONS, PHOSPHOLIPID MONOLAYERS, SODIUM DODECYL-SULFATE, STRUCTURAL-CHANGES, SUPPORTED LIPID BILAYERS},
	isbn = {0022-0728},
	url = {<Go to ISI>://000173029900010},
	author = {Stauffer, V. and Stoodley, R. and Agak, J. O. and Bizzotto, D.}
}
