808 research outputs found
Improved process for epitaxial deposition of silicon on prediffused substrates
Process for fabricating integrated circuits uniformly deposits silicon epitaxially on prediffused substrates without affecting the sublayer diffusion pattern. Two silicon deposits from different sources, and deposited at different temperatures, protect the sublayer pattern from the silicon tetrachloride reaction
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Evaluation of older bay mud sediment from Richmond Harbor, California
The older, bay mud (OBM) unit predates modem man and could act as a barrier to the downward transport of contaminants from the younger bay mud (YBM) because of its hard-packed consistency. However, its chemical and biological nature have not been well characterized. Battelle/Marine Sciences Laboratory (MSL) conducted three independent studies of OBM sediment in January 1993, January 1994, and October 1994. These studies evaluated potential chemical contamination and biological effects of OBM that could occur as a result of dredging and disposal activities. These evaluations were performed by conducting chemical analysis, solid-phase toxicity tests, suspended- particulate-phase (SPP) toxicity tests, and bioaccumulation tests on the OBM sediment. If the sediment chemistry and toxicity results showed no or minimal contamination and toxicological responses, then either the OBM could be left exposed in Richmond Harbor after dredging the YBM without leaving a source of contamination, or if the project depths necessitate, the OBM would be acceptable for disposal at an appropriate disposal site
X-Ray Resonant Scattering as a Direct Probe of Orbital Ordering in Transition-Metal Oxides
X-ray resonant scattering at the K-edge of transition metal oxides is shown
to measure the orbital order parameter, supposed to accompany magnetic ordering
in some cases. Virtual transitions to the 3d-orbitals are quadrupolar in
general. In cases with no inversion symmetry, such as VO, treated in
detail here, a dipole component enhances the resonance. Hence, we argue that
the detailed structure of orbital order in VO is experimentally
accessible.Comment: LaTex using RevTex, 4 pages and two included postscript figure
Theory for Phase Transitions in Insulating Vanadium Oxide
We show that the recently proposed S=2 bond model with orbital degrees of
freedom for insulating VO not only explains the anomalous magnetic
ordering, but also other mysteries of the magnetic phase transition. The model
contains an additional orbital degree of freedom that exhibits a zero
temperature quantum phase transtion in the Ising universality class.Comment: 5 pages, 2 figure
Orbitally Degenerate Spin-1 Model for Insulating V2O3
Motivated by recent neutron, X-ray absorption and resonant scattering
experiments, we revisit the electronic structure of V2O3. We propose a model in
which S=1 V3+ ions are coupled in the vertical V-V pairs forming two-fold
orbitally degenerate configurations with S=2. Ferro-orbital ordering of the V-V
pairs gives a description which is consistent with all experiments in the
antiferromagnetic insulating phase.Comment: 4 pages, including three figure
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Sediment sampling of proposed dredge sites in the confluence of the Snake and Clearwater rivers
The purpose of the study was to measure the concentration of dioxins in sediment proposed to be dredged from the Lower Granite Reservoir near Lewiston, Idaho, and compare it to concentrations found at the reference sites. The area to be dredged is immediately adjacent to and downstream from an effluent discharge pipe belonging to the Potlatch Corporation`s pulp mill. Information provided by the Environmental Protection Agency (EPA) indicate the need to test for dioxins and furans in sediments of waters adjacent to and downstream of pulp mill effluents because of the by-product created through the chlorination process
Fast automated placement of polar hydrogen atoms in protein-ligand complexes
<p>Abstract</p> <p>Background</p> <p>Hydrogen bonds play a major role in the stabilization of protein-ligand complexes. The ability of a functional group to form them depends on the position of its hydrogen atoms. An accurate knowledge of the positions of hydrogen atoms in proteins is therefore important to correctly identify hydrogen bonds and their properties. The high mobility of hydrogen atoms introduces several degrees of freedom: Tautomeric states, where a hydrogen atom alters its binding partner, torsional changes where the position of the hydrogen atom is rotated around the last heavy-atom bond in a residue, and protonation states, where the number of hydrogen atoms at a functional group may change. Also, side-chain flips in glutamine and asparagine and histidine residues, which are common crystallographic ambiguities must be identified before structure-based calculations can be conducted.</p> <p>Results</p> <p>We have implemented a method to determine the most probable hydrogen atom positions in a given protein-ligand complex. Optimality of hydrogen bond geometries is determined by an empirical scoring function which is used in molecular docking. This allows to evaluate protein-ligand interactions with an established model. Also, our method allows to resolve common crystallographic ambiguities such as as flipped amide groups and histidine residues. To ensure high speed, we make use of a dynamic programming approach.</p> <p>Conclusion</p> <p>Our results were checked against selected high-resolution structures from an external dataset, for which the positions of the hydrogen atoms have been validated manually. The quality of our results is comparable to that of other programs, with the advantage of being fast enough to be applied on-the-fly for interactive usage or during score evaluation.</p
Magnetic correlations and quantum criticality in the insulating antiferromagnetic, insulating spin liquid, renormalized Fermi liquid, and metallic antiferromagnetic phases of the Mott system V_2O_3
Magnetic correlations in all four phases of pure and doped vanadium
sesquioxide V_2O_3 have been examined by magnetic thermal neutron scattering.
While the antiferromagnetic insulator can be accounted for by a Heisenberg
localized spin model, the long range order in the antiferromagnetic metal is an
incommensurate spin-density-wave, resulting from a Fermi surface nesting
instability. Spin dynamics in the strongly correlated metal are dominated by
spin fluctuations in the Stoner electron-hole continuum. Furthermore, our
results in metallic V_2O_3 represent an unprecedentedly complete
characterization of the spin fluctuations near a metallic quantum critical
point, and provide quantitative support for the SCR theory for itinerant
antiferromagnets in the small moment limit. Dynamic magnetic correlations for
energy smaller than k_BT in the paramagnetic insulator carry substantial
magnetic spectral weight. However, the correlation length extends only to the
nearest neighbor distance. The phase transition to the antiferromagnetic
insulator introduces a sudden switching of magnetic correlations to a different
spatial periodicity which indicates a sudden change in the underlying spin
Hamiltonian. To describe this phase transition and also the unusual short range
order in the paramagnetic state, it seems necessary to take into account the
orbital degrees of freedom associated with the degenerate d-orbitals at the
Fermi level in V_2O_3.Comment: Postscript file, 24 pages, 26 figures, 2 tables, accepted by Phys.
Rev.
Computation of protein geometry and its applications: Packing and function prediction
This chapter discusses geometric models of biomolecules and geometric
constructs, including the union of ball model, the weigthed Voronoi diagram,
the weighted Delaunay triangulation, and the alpha shapes. These geometric
constructs enable fast and analytical computaton of shapes of biomoleculres
(including features such as voids and pockets) and metric properties (such as
area and volume). The algorithms of Delaunay triangulation, computation of
voids and pockets, as well volume/area computation are also described. In
addition, applications in packing analysis of protein structures and protein
function prediction are also discussed.Comment: 32 pages, 9 figure
MolProbity: all-atom structure validation for macromolecular crystallography
MolProbity structure validation will diagnose most local errors in macromolecular crystal structures and help to guide their correction
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