31,523 research outputs found
Structure of cytochrome a3-Cua3 couple in cytochrome c oxidase as revealed by nitric oxide binding studies
The addition of NO to oxidized cytochrome c oxidase (ferrocytochrome c:oxygen oxidoreductase, EC 1.9.3.1) causes the appearance of a high-spin heme electron paramagnetic resonance (EPR) signal due to cytochrome a3. This suggests that NO coordinates to Cu{a3}+2 and breaks the antiferromagnetic couple by forming a cytochrome a3+3-Cu{a3}+2-NO complex. The intensity of the high-spin cytochrome a3 signal depends on the method of preparation of the enzyme and maximally accounts for 58% of one heme. The effect of N3- on the cytochrome a3+3-Cu{a3}+2-NO complex is to reduce cytochrome a3 to the ferrous state, and this is followed by formation of a new complex that exhibits EPR signals characteristic of a triplet species. On the basis of optical and EPR results, a NO bridge between cytochrome a3+2 and Cu{a3}+2 is proposed-i.e., cytochrome a3+2-NO-Cu{a3}+2. The half-field transition observed at g = 4.34 in the EPR spectrum of this triplet species exhibits resolved copper hyperfine splittings with |A{}| = 0.020 cm-1, indicating that the Cu{a3}+2 in the cytochrome a3+2-NO-Cu{a3}+2 complex is similar to a type 2 copper site
Understanding the Impact of Open-Framework Conglomerates on Water-Oil Displacements: Victor Interval of the Ivishak Reservoir, Prudhoe Bay Field, Alaska
The Victor Unit of the Ivishak Formation in the Prudhoe Bay Oilfield is
characterized by high net-to-gross fluvial sandstones and conglomerates. The
highest permeability is found within sets of cross-strata of open-framework
conglomerate (OFC). They are preserved within unit bar deposits and assemblages
of unit bar deposits within compound (braid) bar deposits. They are thief zones
limiting enhanced oil recovery. We incorporate recent research that has
quantified important attributes of their sedimentary architecture within
preserved deposits. We use high-resolution models to demonstrate the
fundamental aspects of their control on oil production rate, water breakthrough
time, and spatial and temporal distribution of residual oil saturation. We
found that when the pressure gradient is oriented perpendicular to the
paleoflow direction, the total oil production and the water breakthrough time
are larger, and remaining oil saturation is smaller, than when it is oriented
parallel to paleoflow. The pressure difference between production and injection
wells does not affect sweep efficiency, although the spatial distribution of
oil remaining in the reservoir critically depends on this value. Oil sweep
efficiency decreases slightly with increase in the proportion of OFC
cross-strata. Whether or not clusters of connected OFC span the domain does not
visibly affect sweep efficiency.Comment: 27 pages including 14 figure
Possible effects of tilt order on phase transitions of a fixed connectivity surface model
We study the phase structure of a phantom tethered surface model shedding
light on the internal degrees of freedom (IDOF), which correspond to the
three-dimensional rod like structure of the lipid molecules. The so-called tilt
order is assumed as IDOF on the surface model. The model is defined by
combining the conventional spherical surface model and the XY model, which
describes not only the interaction between lipids but also the interaction
between the lipids and the surface. The interaction strength between IDOF and
the surface varies depending on the interaction strength between the variables
of IDOF. We know that the model without IDOF undergoes a first-order transition
of surface fluctuations and a first-order collapsing transition. We observe in
this paper that the order of the surface fluctuation transition changes from
first-order to second-order and to higher-order with increasing strength of the
interaction between IDOF variables. On the contrary, the order of collapsing
transition remains first-order and is not influenced by the presence of IDOF.Comment: 20 pages, 14 figure
Magnetic Instability in Strongly Correlated Superconductors
Recently a new phenomenological Hamiltonian has been proposed to describe the
superconducting cuprates. This so-called Gossamer Hamiltonian is an apt model
for a superconductor with strong on-site Coulomb repulsion betweenthe
electrons. It is shown that as one approaches half-filling the Gossamer
superconductor, and hence the superconducting state, with strong repulsion is
unstable toward an antiferromagnetic insulator an can undergo a quantum phase
transition to such an insulator if one increases the on-site Coulomb repulsion
My Private Cloud Overview: A Trust, Privacy and Security Infrastructure for the Cloud
Based on the assumption that cloud providers can be trusted (to a certain extent) we define a trust, security and privacy preserving infrastructure that relies on trusted cloud providers to operate properly. Working in tandem with legal agreements, our open source software supports: trust and reputation management, sticky policies with fine grained access controls, privacy preserving delegation of authority, federated identity management, different levels of assurance and configurable audit trails. Armed with these tools, cloud service providers are then able to offer a reliable privacy preserving infrastructure-as-a-service to their clients
Ab initio investigation of intermolecular interactions in solid benzene
A computational strategy for the evaluation of the crystal lattice constants
and cohesive energy of the weakly bound molecular solids is proposed. The
strategy is based on the high level ab initio coupled-cluster determination of
the pairwise additive contribution to the interaction energy. The
zero-point-energy correction and non-additive contributions to the interaction
energy are treated using density functional methods. The experimental crystal
lattice constants of the solid benzene are reproduced, and the value of 480
meV/molecule is calculated for its cohesive energy
Two-Stage Rotational Disordering of a Molecular Crystal Surface: C60
We propose a two-stage mechanism for the rotational surface disordering phase
transition of a molecular crystal, as realized in C fullerite. Our
study, based on Monte Carlo simulations, uncovers the existence of a new
intermediate regime, between a low temperature ordered state,
and a high temperature disordered phase. In the intermediate
regime there is partial disorder, strongest for a subset of particularly
frustrated surface molecules. These concepts and calculations provide a
coherent understanding of experimental observations, with possible extension to
other molecular crystal surfaces.Comment: 4 pages, 2 figure
Electron Spin Relaxation of Cu_A and Cytochrome a in Cytochrome c Oxidase. Comparison to heme, copper, and sulfur radical complexes
The method of continuous saturation has been used to measure the electron spin relaxation parameter T_(1)T_(2) at temperatures between 10 and 50 K for a variety of S = 1/2 species including: Cu_A and cytochrome a of cytochrome c oxidase, the type 1 copper in several blue copper proteins, the type 2 copper in laccase, inorganic Cu(II) complexes, sulfur radicals, and low spin heme proteins. The temperature dependence and the magnitude of T_(1)T_(2) for all of the species examined are accounted for by assuming that the Van Vleck Raman process dominates the electron spin-lattice relaxation. Over the entire temperature range examined, the relaxation of the type 1 coppers in six to seven times faster than that of type 2 copper, inorganic copper, and sulfur radicals, in spite of the similar g-anisotropies of these species. This result may indicate that the coupling of the phonon bath to the spin center is more effective in type 1 coppers than in the other complexes studied. The relaxation of Cu_A of cytochrome oxidase exhibits an unusual temperature dependence relative to the other copper complexes studied, suggesting that the protein environment of this center is different from that of the other copper centers studied and/or that Cu_A is influenced by a magnetic dipolar interaction with another, faster-relaxing paramagnetic site in the enzyme. A comparison of the saturation characteristics of the Cu_A EPR signal in native and partially reduced CO complexes of the enzyme also suggests the existence of such an interaction. The implications of these results with respect to the disposition of the metal centers in cytochrome oxidase are discusse
Highly accurate calculations of the rotationally excited bound states in three-body systems
An effective optimization strategy has been developed to construct highly
accurate bound state wave functions in various three-body systems. Our
procedure appears to be very effective for computations of weakly bound states
and various excited states, including rotationally excited states, i.e. states
with . The efficiency of our procedure is illustrated by computations
of the excited states in the and muonic
molecular ions, states in the non-symmetric and
ions and and states in He atom(s)
Phase transitions of an intrinsic curvature model on dynamically triangulated spherical surfaces with point boundaries
An intrinsic curvature model is investigated using the canonical Monte Carlo
simulations on dynamically triangulated spherical surfaces of size upto N=4842
with two fixed-vertices separated by the distance 2L. We found a first-order
transition at finite curvature coefficient \alpha, and moreover that the order
of the transition remains unchanged even when L is enlarged such that the
surfaces become sufficiently oblong. This is in sharp contrast to the known
results of the same model on tethered surfaces, where the transition weakens to
a second-order one as L is increased. The phase transition of the model in this
paper separates the smooth phase from the crumpled phase. The surfaces become
string-like between two point-boundaries in the crumpled phase. On the
contrary, we can see a spherical lump on the oblong surfaces in the smooth
phase. The string tension was calculated and was found to have a jump at the
transition point. The value of \sigma is independent of L in the smooth phase,
while it increases with increasing L in the crumpled phase. This behavior of
\sigma is consistent with the observed scaling relation \sigma \sim (2L/N)^\nu,
where \nu\simeq 0 in the smooth phase, and \nu=0.93\pm 0.14 in the crumpled
phase. We should note that a possibility of a continuous transition is not
completely eliminated.Comment: 15 pages with 10 figure
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