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  • 1
    Electronic Resource
    Electronic Resource
    The Q-switched neodymium: YAG laser and tattoos: a microscopic analysis of laser-tattoo interactions (1997)
    Oxford, UK : Blackwell Publishing Ltd
    British journal of dermatology 137 (1997), S. 0 
    Details
    ISSN: 1365-2133
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Notes: The Nd:YAG laser effectively removes or lightens amateur and professional tattoos. The biomechanics of the removal of tattoo particles at the cellular level are incompletely understood. We examined biopsies obtained from 35 amateur and professional tattoos (including coloured tattoos), treated on three or more occassions with the Nd:YAG laser. Biopsies taken immediately after laser treatment showed vacuolation with complete clearance of tattoo particles in the most superficial layers of the dermis, as assessed by light and electron microscopy. We propose that the ‘disappearance’ of the tattoo particle arises from the formation of atomic species and gaseous products, which are rapidly dissolved in the extracellular fluid. Residual fragmented particles that are commonly found in the mid-and lower dermis are rephagocytosed. The interaction between the Nd:YAG laser and black tattoo particles at 1064nm, and red tattoo particles at 532nm, appears to be specific, as there was little evidence of thermal damage to adjacent cells or stromal collagen.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1046/j.1365-2133.1997.18581951.x
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  • 2
    Electronic Resource
    Electronic Resource
    Characterization of the Tryptophan Binding Site of Escherichia coli Tryptophan Holorepressor by Phosphorescence and Optical Detection of Magnetic Resonance of a Tryptophan-Free Mutant (1995)
    s.l. : American Chemical Society
    Biochemistry 34 (1995), S. 12866-12870 
    Details
    ISSN: 1520-4995
    Source: ACS Legacy Archives
    Topics: Biology , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/bi00039a048
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  • 3
    Electronic Resource
    Electronic Resource
    Zeta-regularization of the O(N) nonlinear sigma model in D dimensions (1996)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 37 (1996), S. 1128-1147 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: The O(N) nonlinear sigma model in a D-dimensional space of the form RD−M×TM, RD−M×SM, or TM×SP is studied, where RM, TM, and SM correspond to flat space, a torus, and a sphere, respectively. Using zeta-regularization and the 1/N expansion, the corresponding partition functions—for deriving the free energy—and the gap equations are obtained. In particular, the free energy at the critical point on R2q+1×S2p+2 vanishes in accordance with the conformal equivalence to the flat space RD. Numerical solutions of the gap equations at the critical coupling constants are given for several values of D. The properties of the partition function and its asymptotic behavior for large D are discussed. In a similar way, a higher-derivative nonlinear sigma model is investigated, too. The physical relevance of our results is discussed. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.531437
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  • 4
    Electronic Resource
    Electronic Resource
    Multidimensional extension of a Wentzel–Kramers–Brillouin improvement for spherical quantum billiard zeta functions (1995)
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 36 (1995), S. 4005-4011 
    Details
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: Some insight is offered into the dimensional dependence of the Wentzel–Kramers–Brillouin (WKB) and improved-WKB approximations introduced by Steiner in connection with hyperspherical (originally circular) quantum billiards. The accuracy of every new D-dimensional picture is estimated by examining the residues of the spectral zeta-function poles. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.530942
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  • 5
    Electronic Resource
    Electronic Resource
    Calculation of solvent free energies for heterogeneous electron transfer at the water–metal interface: Classical versus quantum behavior (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 529-539 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A computer simulation method is developed for the study of the adiabatic heterogeneous electron transfer reactions between an ion in solution and a metal electrode. The particular system studied is the Fe2+/Fe3+ electron transfer reaction with a Pt(111) electrode. The adiabatic classical free energy curve for the reaction is computed using umbrella sampling and molecular dynamics generated by the adiabatic solution to an Anderson–Newns-like Hamiltonian. Reactive flux calculations are then performed to determine the effect of transition state recrossings on the classical adiabatic rate constant. These effects are not found to be large (κ∼0.6). The water solvent model is next quantized using Feynman path integral techniques and the quantum adiabatic free energy curve for electronic transfer is calculated. The latter calculation shows that the solvent activation free energy barrier and thermodynamic driving force for the electron transfer process can be significantly affected by the water quantization. These results suggest that classical models for water may not be adequate, or at least need to be modified, for the accurate computer simulation of many heterogeneous electron transfer reactions. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469431
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  • 6
    Electronic Resource
    Electronic Resource
    Neural network models of potential energy surfaces (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 4129-4137 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Neural networks provide an efficient, general interpolation method for nonlinear functions of several variables. This paper describes the use of feed-forward neural networks to model global properties of potential energy surfaces from information available at a limited number of configurations. As an initial demonstration of the method, several fits are made to data derived from an empirical potential model of CO adsorbed on Ni(111). The data are error-free and geometries are selected from uniform grids of two and three dimensions. The neural network model predicts the potential to within a few hundredths of a kcal/mole at arbitrary geometries. The accuracy and efficiency of the neural network in practical calculations are demonstrated in quantum transition state theory rate calculations for surface diffusion of CO/Ni(111) using a Monte Carlo/path integral method. The network model is much faster to evaluate than the original potential from which it is derived. As a more complex test of the method, the interaction potential of H2 with the Si(100)-2×1 surface is determined as a function of 12 degrees of freedom from energies calculated with the local density functional method at 750 geometries. The training examples are not uniformly spaced and they depend weakly on variables not included in the fit. The neural net model predicts the potential at geometries outside the training set with a mean absolute deviation of 2.1 kcal/mole. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469597
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  • 7
    Electronic Resource
    Electronic Resource
    A theory for electron transfer across the electrode/electrolyte interface involving more than one redox ion (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 107 (1997), S. 8940-8954 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A theory for electron transfer between a metal electrode and several redox species in a polar electrolyte is developed within the context of the Anderson–Newns Hamiltonian. Analytical expressions for the adiabatic ground state solvent free energy surfaces are derived, and it is shown how these expressions can be evaluated self-consistently. The shape of the adiabatic potential surfaces, and thus the thermodynamic and equilibrium rate characteristics of the electron transfer process, are shown to strongly depend on several key parameters. The effect of an external electric field on the free energy surface is also analyzed. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.475186
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  • 8
    Electronic Resource
    Electronic Resource
    A first-principles simulation of the semiconductor/water interface (1997)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 106 (1997), S. 2811-2818 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The overall electronic structure of a water/semiconductor interface is studied for the first time by ab initio molecular dynamics for realistic solvent configurations. The present study expands on our earlier work [J. Chem. Phys. 103, 7569 (1996)] by including a complete ab initio description of the surface and the solvent. Several statistically independent solvent configurations are generated via classical molecular dynamics as a starting point for a realistic sampling of the true solvent electronic structure via ab initio dynamics. A significant degree of mixing is observed between semiconductor electronic surface states and the bulk water orbitals. A new method is also given to facilitate the use of gradient corrected density functionals with Vanderbilt pseudopotentials. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.473794
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  • 9
    Electronic Resource
    Electronic Resource
    The computer simulation of correlated electron transfer across the electrode/electrolyte interface involving multiple redox species (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 4569-4575 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The basis for molecular dynamics simulations of the electron transfer between multiple redox species and a metal electrode is developed using the Anderson–Newns approach to model the effect of the electronic degrees of freedom. As an example, the free energy surface for 2 redox species coupled to the metal surface and with each other is computed via two dimensional umbrella sampling. The resulting free energy surface is found to be qualitatively in agreement with an analytic model for such a process [Y. Boroda, A. Calhoun, and G. A. Voth, J. Chem. Phys. 107, 8940 (1997)], with relatively minor quantitative disagreement. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477061
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  • 10
    Electronic Resource
    Electronic Resource
    PUVA photocarcinogenesis in Cheshire (1997)
    Oxford, UK : Blackwell Publishing Ltd
    Clinical and experimental dermatology 22 (1997), S. 0 
    Details
    ISSN: 1365-2230
    Source: Blackwell Publishing Journal Backfiles 1879-2005
    Topics: Medicine
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1111/j.1365-2230.1997.tb01102.x
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