211 research outputs found
Geometrically Frustrated Crystals: Elastic Theory and Dislocations
Elastic theory of ring-(or cylinder-)shaped crystals is constructed and the
generation of edge dislocations due to geometrical frustration caused by the
bending is studied. The analogy to superconducting (or superfluid) vortex state
is pointed out and the phase diagram of the ring-crystal, which depends on
radius and thickness, is discussed.Comment: 4 pages, 3 figure
Local Anisotropy of Fluids using Minkowski Tensors
Statistics of the free volume available to individual particles have
previously been studied for simple and complex fluids, granular matter,
amorphous solids, and structural glasses. Minkowski tensors provide a set of
shape measures that are based on strong mathematical theorems and easily
computed for polygonal and polyhedral bodies such as free volume cells (Voronoi
cells). They characterize the local structure beyond the two-point correlation
function and are suitable to define indices of
local anisotropy. Here, we analyze the statistics of Minkowski tensors for
configurations of simple liquid models, including the ideal gas (Poisson point
process), the hard disks and hard spheres ensemble, and the Lennard-Jones
fluid. We show that Minkowski tensors provide a robust characterization of
local anisotropy, which ranges from for vapor
phases to for ordered solids. We find that for fluids,
local anisotropy decreases monotonously with increasing free volume and
randomness of particle positions. Furthermore, the local anisotropy indices
are sensitive to structural transitions in these simple
fluids, as has been previously shown in granular systems for the transition
from loose to jammed bead packs
Phase Transition of the Ising model on a Hyperbolic Lattice
The matrix product structure is considered on a regular lattice in the
hyperbolic plane. The phase transition of the Ising model is observed on the
hyperbolic lattice by means of the corner-transfer-matrix
renormalization group (CTMRG) method. Calculated correlation length is always
finite even at the transition temperature, where mean-field like behavior is
observed. The entanglement entropy is also always finite.Comment: 4 pages, 3 figure
From compact to fractal crystalline clusters in concentrated systems of monodisperse hard spheres
We address the crystallization of monodisperse hard spheres in terms of the
properties of finite- size crystalline clusters. By means of large scale
event-driven Molecular Dynamics simulations, we study systems at different
packing fractions {\phi} ranging from weakly supersaturated state points to
glassy ones, covering different nucleation regimes. We find that such regimes
also result in different properties of the crystalline clusters: compact
clusters are formed in the classical-nucleation-theory regime ({\phi} \leq
0.54), while a crossover to fractal, ramified clusters is encountered upon
increasing packing fraction ({\phi} \geq 0.56), where nucleation is more
spinodal-like. We draw an analogy between macroscopic crystallization of our
clusters and percolation of attractive systems to provide ideas on how the
packing fraction influences the final structure of the macroscopic crystals. In
our previous work (Phys. Rev. Lett., 106, 215701, 2011), we have demonstrated
how crystallization from a glass (at {\phi} > 0.58) happens via a gradual
(many-step) mechanism: in this paper we show how the mechanism of gradual
growth seems to hold also in super-saturated systems just above freezing
showing that static properties of clusters are not much affected by dynamics.Comment: Soft Matter, 201
Characterization of a modular enzyme of exo-1,5-α-l-arabinofuranosidase and arabinan binding module from Streptomyces avermitilis NBRC14893
A gene encoding an α-l-arabinofuranosidase, designated SaAraf43A, was cloned from Streptomyces avermitilis. The deduced amino acid sequence implies a modular structure consisting of an N-terminal glycoside hydrolase family 43 module and a C-terminal family 42 carbohydrate-binding module (CBM42). The recombinant enzyme showed optimal activity at pH 6.0 and 45°C and was stable over the pH range of 5.0–6.5 at 30°C. The enzyme hydrolyzed p-nitrophenol (PNP)-α-l-arabinofuranoside but did not hydrolyze PNP-α-l-arabinopyranoside, PNP-β-d-xylopyranoside, or PNP-β-d-galactopyranoside. Debranched 1,5-arabinan was hydrolyzed by the enzyme but arabinoxylan, arabinogalactan, gum arabic, and arabinan were not. Among the synthetic regioisomers of arabinofuranobiosides, only methyl 5-O-α-l-arabinofuranosyl-α-l-arabinofuranoside was hydrolyzed by the enzyme, while methyl 2-O-α-l-arabinofuranosyl-α-l-arabinofuranoside and methyl 3-O-α-l-arabinofuranosyl-α-l-arabinofuranoside were not. These data suggested that the enzyme only cleaves α-1,5-linked arabinofuranosyl linkages. The analysis of the hydrolysis product of arabinofuranopentaose suggested that the enzyme releases arabinose in exo-acting manner. These results indicate that the enzyme is definitely an exo-1,5-α-l-arabinofuranosidase. The C-terminal CBM42 did not show any affinity for arabinogalactan and debranched arabinan, although it bound arabinan and arabinoxylan, suggesting that the CBM42 bound to branched arabinofuranosyl residues. Removal of the module decreased the activity of the enzyme with regard to debranched arabinan. The CBM42 plays a role in enhancing the debranched arabinan hydrolytic action of the catalytic module in spite of its preference for binding arabinofuranosyl side chains
Tuning of Electrical and Optical Properties of Highly Conducting and Transparent Ta-Doped TiO2 Polycrystalline Films
We present a detailed study on polycrystalline transparent conducting Ta-doped TiO2 films, obtained by room temperature pulsed laser deposition followed by an annealing treatment at 550°C in vacuum. The effect of Ta as a dopant element and of different synthesis conditions are explored in order to assess the relationship between material structure and functional properties, i.e. electrical conductivity and optical transparency. We show that for the doped samples it is possible to achieve low resistivity (of the order of 5×10-4 Ωcm) coupled with transmittance values exceeding 80% in the visible range, showing the potential of polycrystalline Ta:TiO2 for application as a transparent electrode in novel photovoltaic devices. The presence of trends in the structural (crystalline domain size, anatase cell parameters), electrical (resistivity, charge carrier density and mobility) and optical (transmittance, optical band gap, effective mass) properties as a function of the oxygen background pressures and laser fluence used during the deposition process and of the annealing atmosphere is discussed, and points towards a complex defect chemistry ruling the material behavior. The large mobility values obtained in this work for Ta:TiO2 polycrystalline films (up to 13 cm2V-1s-1) could represent a definitive advantage with respect to the more studied Nb-doped TiO2
Inhibition of Renin-Angiotensin System Reverses Endothelial Dysfunction and Oxidative Stress in Estrogen Deficient Rats
BACKGROUND: Estrogen deficiency increases the cardiovascular risks in postmenopausal women. Inhibition of the renin-angiotensin system (RAS) and associated oxidative stress confers a cardiovascular protection, but the role of RAS in estrogen deficiency-related vascular dysfunction is unclear. The present study investigates whether the up-regulation of RAS and associated oxidative stress contributes to the development of endothelial dysfunction during estrogen deficiency in ovariectomized (OVX) rats. METHODOLOGY/PRINCIPAL FINDINGS: Adult female rats were ovariectomized with and without chronic treatment with valsartan and enalapril. Isometric force measurement was performed in isolated aortae. The expression of RAS components was determined by immunohistochemistry and Western blotting method while ROS accumulation in the vascular wall was evaluated by dihydroethidium fluorescence. Ovariectomy increased the expression of angiotensin-converting enzyme (ACE), angiotensin II type 1 receptor (AT(1)R), NAD(P)H oxidase, and nitrotyrosine in the rat aorta. An over-production of angiotensin II and ROS was accompanied by decreased phosphorylation of eNOS at Ser(1177) in OVX rat aortae. These pathophysiological changes were closely coupled with increased oxidative stress and decreased nitric oxide bioavailability, culminating in markedly impaired endothelium-dependent relaxations. Furthermore, endothelial dysfunction and increased oxidative stress in aortae of OVX rats were inhibited or reversed by chronic RAS inhibition with enalapril or valsartan. CONCLUSIONS/SIGNIFICANCE: The novel findings highlight a significant therapeutic benefit of RAS blockade in the treatment of endothelial dysfunction-related vascular complications in postmenopausal states
Heterogeneous Nucleation of Protein Crystals on Fluorinated Layered Silicate
Here, we describe an improved system for protein crystallization based on heterogeneous nucleation using fluorinated layered silicate. In addition, we also investigated the mechanism of nucleation on the silicate surface. Crystallization of lysozyme using silicates with different chemical compositions indicated that fluorosilicates promoted nucleation whereas the silicates without fluorine did not. The use of synthesized saponites for lysozyme crystallization confirmed that the substitution of hydroxyl groups contained in the lamellae structure for fluorine atoms is responsible for the nucleation-inducing property of the nucleant. Crystallization of twelve proteins with a wide range of pI values revealed that the nucleation promoting effect of the saponites tended to increase with increased substitution rate. Furthermore, the saponite with the highest fluorine content promoted nucleation in all the test proteins regardless of their overall net charge. Adsorption experiments of proteins on the saponites confirmed that the density of adsorbed molecules increased according to the substitution rate, thereby explaining the heterogeneous nucleation on the silicate surface
Intravesical Treatments of Bladder Cancer: Review
For bladder cancer, intravesical chemo/immunotherapy is widely used as adjuvant therapies after surgical transurethal resection, while systemic therapy is typically reserved for higher stage, muscle-invading, or metastatic diseases. The goal of intravesical therapy is to eradicate existing or residual tumors through direct cytoablation or immunostimulation. The unique properties of the urinary bladder render it a fertile ground for evaluating additional novel experimental approaches to regional therapy, including iontophoresis/electrophoresis, local hyperthermia, co-administration of permeation enhancers, bioadhesive carriers, magnetic-targeted particles and gene therapy. Furthermore, due to its unique anatomical properties, the drug concentration-time profiles in various layers of bladder tissues during and after intravesical therapy can be described by mathematical models comprised of drug disposition and transport kinetic parameters. The drug delivery data, in turn, can be combined with the effective drug exposure to infer treatment efficacy and thereby assists the selection of optimal regimens. To our knowledge, intravesical therapy of bladder cancer represents the first example where computational pharmacological approach was used to design, and successfully predicted the outcome of, a randomized phase III trial (using mitomycin C). This review summarizes the pharmacological principles and the current status of intravesical therapy, and the application of computation to optimize the drug delivery to target sites and the treatment efficacy
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