8,815 research outputs found
Simple one-dimensional quantum-mechanical model for a particle attached to a surface
We present a simple one-dimensional quantum-mechanical model for a particle
attached to a surface. We solve the Schr\"odinger equation in terms of Weber
functions and discuss the behavior of the eigenvalues and eigenfunctions. We
derive the virial theorem and other exact relationships as well as the
asymptotic behaviour of the eigenvalues. We calculate the zero-point energy for
model parameters corresponding to H adsorbed on Pd(100) and also outline the
application of the Rayleigh-Ritz variational method
Electronic and Magnetic Properties of Endohedrally Doped Fullerene Mn@C60: A Total Energy Study
We perform total energy calculations on a manganese atom encapsulated inside a C60 cage using density functional theory with the generalized gradient approximation through three optimization schemes and along four paths inside the cage. We find that when Mn is located in the central region, its electronic and magnetic properties are not exactly the same as those of a free Mn atom due to weak coupling between Mn and the cage. As Mn is shifted toward to the edge, the total energy and spin start to change significantly when Mn is situated about one-third of the way between the cage center and edge, and the total energy reaches a local minimum. Finally the interaction between Mn and the cage turns repulsive as Mn approaches the edge. We also find that, along the lowest energy path, there exist three consecutive local energy minima and each of these has a different spin M. The ground state has the lowest M=3, Mn is located about 1.6 Å away from the cage center, and the binding energy is 0.08 eV. We attribute the decrease in total energy and spin to Mn and C hybridization
Acceleration and vacuum temperature
The quantum fluctuations of an "accelerated" vacuum state, that is vacuum
fluctuations in the presence of a constant electromagnetic field, can be
described by the temperature \TEH. Considering \TEH for the gyromagnetic
factor we show that \TEH(g=1)=\THU, where \THU is the Unruh
temperature experienced by an accelerated observer. We conjecture that both
particle production and nonlinear field effects inherent in the Unruh
accelerated observer case are described by the case QED of strong fields.
We present rates of particle production for and show that the case
is experimentally distinguishable from . Therefore, either
accelerated observers are distinguishable from accelerated vacuum or there is
unexpected modification of the theoretical framework.Comment: 4 pages, 1 figure; expanded discussion of experimental observables,
added references, version appearing in Phys Rev
Strain induced half-metal to semiconductor transition in GdN
We have investigated the electronic structure and magnetic properties of GdN
as a function of unit cell volume. Based on the first-principles calculations
of GdN, we observe that there is a transformation in conduction properties
associated with the volume increase: first from halfmetallic to semi-metallic,
then ultimately to semiconducting. We show that applying stress can alter the
carrier concentration as well as mobility of the holes and electrons in the
majority spin channel. In addition, we found that the exchange parameters
depend strongly on lattice constant, thus the Curie temperature of this system
can be enhanced by applying stress or doping impurities.Comment: 9 pages, 3 figure
Spectra of Discrete Schr\"odinger Operators with Primitive Invertible Substitution Potentials
We study the spectral properties of discrete Schr\"odinger operators with
potentials given by primitive invertible substitution sequences (or by Sturmian
sequences whose rotation angle has an eventually periodic continued fraction
expansion, a strictly larger class than primitive invertible substitution
sequences). It is known that operators from this family have spectra which are
Cantor sets of zero Lebesgue measure. We show that the Hausdorff dimension of
this set tends to as coupling constant tends to . Moreover, we
also show that at small coupling constant, all gaps allowed by the gap labeling
theorem are open and furthermore open linearly with respect to .
Additionally, we show that, in the small coupling regime, the density of states
measure for an operator in this family is exact dimensional. The dimension of
the density of states measure is strictly smaller than the Hausdorff dimension
of the spectrum and tends to as tends to
Adjusting the melting point of a model system via Gibbs-Duhem integration: application to a model of Aluminum
Model interaction potentials for real materials are generally optimized with
respect to only those experimental properties that are easily evaluated as
mechanical averages (e.g., elastic constants (at T=0 K), static lattice
energies and liquid structure). For such potentials, agreement with experiment
for the non-mechanical properties, such as the melting point, is not guaranteed
and such values can deviate significantly from experiment. We present a method
for re-parameterizing any model interaction potential of a real material to
adjust its melting temperature to a value that is closer to its experimental
melting temperature. This is done without significantly affecting the
mechanical properties for which the potential was modeled. This method is an
application of Gibbs-Duhem integration [D. Kofke, Mol. Phys.78, 1331 (1993)].
As a test we apply the method to an embedded atom model of aluminum [J. Mei and
J.W. Davenport, Phys. Rev. B 46, 21 (1992)] for which the melting temperature
for the thermodynamic limit is 826.4 +/- 1.3K - somewhat below the experimental
value of 933K. After re-parameterization, the melting temperature of the
modified potential is found to be 931.5K +/- 1.5K.Comment: 9 pages, 5 figures, 4 table
Co-targeting of DNA, RNA, and protein molecules provides optimal outcomes for treating osteosarcoma and pulmonary metastasis in spontaneous and experimental metastasis mouse models.
Metastasis is a major cause of mortality for cancer patients and remains as the greatest challenge in cancer therapy. Driven by multiple factors, metastasis may not be controlled by the inhibition of single target. This study was aimed at assessing the hypothesis that drugs could be rationally combined to co-target critical DNA, RNA and protein molecules to achieve "saturation attack" against metastasis. Independent actions of the model drugs DNA-intercalating doxorubicin, RNA-interfering miR-34a and protein-inhibiting sorafenib on DNA replication, RNA translation and protein kinase signaling in highly metastatic, human osteosarcoma 143B cells were demonstrated by the increase of γH2A.X foci formation, reduction of c-MET expression and inhibition of Erk1/2 phosphorylation, respectively, and optimal effects were found for triple-drug combination. Consequently, triple-drug treatment showed a strong synergism in suppressing 143B cell proliferation and the greatest effects in reducing cell invasion. Compared to single- and dual-drug treatment, triple-drug therapy suppressed pulmonary metastases and orthotopic osteosarcoma progression to significantly greater degrees in orthotopic osteosarcoma xenograft/spontaneous metastases mouse models, while none showed significant toxicity. In addition, triple-drug therapy improved the overall survival to the greatest extent in experimental metastases mouse models. These findings demonstrate co-targeting of DNA, RNA and protein molecules as a novel therapeutic strategy for the treatment of metastasis
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