54 research outputs found
Using NMR to Measure Fractal Dimensions
A comment is made on the recent PFG NMR measurements by Stallmach, et al. on
water-saturated sands [Phys. Rev. Lett. 88, 105505 (2002)]. It is pointed out
that the usual law for the time-dependent diffusion coefficient D(t) used by
these authors is not valid for a fractal surface. It is shown that (1-D(t)/D0)
\~ t^[(3-Ds)/2] at short times for a surface of fractal dimension Ds, where D0
is the bulk diffusion coefficient. Preliminary PFG NMR data on water saturated
limestone and plastic beads are presented to illustrate this analysis.Comment: 1 page, 1 figur
Transport and Elastic Properties of Fractal Media
We investigate the influence of fractal structure on material properties. We
calculate the statistical correlation functions of fractal media defined by
level-cut Gaussian random fields. This allows the modeling of both surface
fractal and mass fractal materials. Variational bounds on the conductivity,
diffusivity and elastic moduli of the materials are evaluated. We find that a
fractally rough interface has a relatively strong influence on the properties
of composites. In contrast a fractal volume (mass) has little effect on
material properties.Comment: 10 pages, 6 figure
Numerical study of multilayer adsorption on fractal surfaces
We report a numerical study of van der Waals adsoprtion and capillary
condensation effects on self-similar fractal surfaces. An assembly of uncoupled
spherical pores with a power-law distributin of radii is used to model fractal
surfaces with adjustable dimensions. We find that the commonly used fractal
Frankel-Halsey-Hill equation systematically fails to give the correct dimension
due to crossover effects, consistent with the findings of recent experiments.
The effects of pore coupling and curvature dependent surface tension were also
studied.Comment: 11 pages, 3 figure
Tricritical Points in the Sherrington-Kirkpatrick Model in the Presence of Discrete Random Fields
The infinite-range-interaction Ising spin glass is considered in the presence
of an external random magnetic field following a trimodal (three-peak)
distribution. The model is studied through the replica method and phase
diagrams are obtained within the replica-symmetry approximation. It is shown
that the border of the ferromagnetic phase may present first-order phase
transitions, as well as tricritical points at finite temperatures. Analogous to
what happens for the Ising ferromagnet under a trimodal random field, it is
verified that the first-order phase transitions are directly related to the
dilution in the fields (represented by ). The ferromagnetic boundary at
zero temperature also exhibits an interesting behavior: for , a single tricritical point occurs, whereas if
the critical frontier is completely continuous; however, for
, a fourth-order critical point appears. The stability
analysis of the replica-symmetric solution is performed and the regions of
validity of such a solution are identified; in particular, the Almeida-Thouless
line in the plane field versus temperature is shown to depend on the weight
.Comment: 23pages, 7 ps figure
Work functions, ionization potentials, and in-between: Scaling relations based on the image charge model
We revisit a model in which the ionization energy of a metal particle is
associated with the work done by the image charge force in moving the electron
from infinity to a small cut-off distance just outside the surface. We show
that this model can be compactly, and productively, employed to study the size
dependence of electron removal energies over the range encompassing bulk
surfaces, finite clusters, and individual atoms. It accounts in a
straightforward manner for the empirically known correlation between the atomic
ionization potential (IP) and the metal work function (WF), IP/WF2. We
formulate simple expressions for the model parameters, requiring only a single
property (the atomic polarizability or the nearest neighbor distance) as input.
Without any additional adjustable parameters, the model yields both the IP and
the WF within 10% for all metallic elements, as well as matches the size
evolution of the ionization potentials of finite metal clusters for a large
fraction of the experimental data. The parametrization takes advantage of a
remarkably constant numerical correlation between the nearest-neighbor distance
in a crystal, the cube root of the atomic polarizability, and the image force
cutoff length. The paper also includes an analytical derivation of the relation
of the outer radius of a cluster of close-packed spheres to its geometric
structure.Comment: Original submission: 8 pages with 7 figures incorporated in the text.
Revised submission (added one more paragraph about alloy work functions): 18
double spaced pages + 8 separate figures. Accepted for publication in PR
Evolutionarily Conserved Linkage between Enzyme Fold, Flexibility, and Catalysis
Proteins are intrinsically flexible molecules. The role of internal motions in a protein's designated function is widely debated. The role of protein structure in enzyme catalysis is well established, and conservation of structural features provides vital clues to their role in function. Recently, it has been proposed that the protein function may involve multiple conformations: the observed deviations are not random thermodynamic fluctuations; rather, flexibility may be closely linked to protein function, including enzyme catalysis. We hypothesize that the argument of conservation of important structural features can also be extended to identification of protein flexibility in interconnection with enzyme function. Three classes of enzymes (prolyl-peptidyl isomerase, oxidoreductase, and nuclease) that catalyze diverse chemical reactions have been examined using detailed computational modeling. For each class, the identification and characterization of the internal protein motions coupled to the chemical step in enzyme mechanisms in multiple species show identical enzyme conformational fluctuations. In addition to the active-site residues, motions of protein surface loop regions (>10 Å away) are observed to be identical across species, and networks of conserved interactions/residues connect these highly flexible surface regions to the active-site residues that make direct contact with substrates. More interestingly, examination of reaction-coupled motions in non-homologous enzyme systems (with no structural or sequence similarity) that catalyze the same biochemical reaction shows motions that induce remarkably similar changes in the enzyme–substrate interactions during catalysis. The results indicate that the reaction-coupled flexibility is a conserved aspect of the enzyme molecular architecture. Protein motions in distal areas of homologous and non-homologous enzyme systems mediate similar changes in the active-site enzyme–substrate interactions, thereby impacting the mechanism of catalyzed chemistry. These results have implications for understanding the mechanism of allostery, and for protein engineering and drug design
Ibudilast, a Pharmacologic Phosphodiesterase Inhibitor, Prevents Human Immunodeficiency Virus-1 Tat-Mediated Activation of Microglial Cells
Human Immunodeficiency Virus-1 (HIV-1)-associated neurocognitive disorders (HAND) occur, in part, due to the inflammatory response to viral proteins, such as the HIV-1 transactivator of transcription (Tat), in the central nervous system (CNS). Given the need for novel adjunctive therapies for HAND, we hypothesized that ibudilast would inhibit Tat-induced excess production of pro-inflammatory cytokines, such as tumor necrosis factor-alpha (TNFα) in microglial cells. Ibudilast is a non-selective cyclic AMP phosphodiesterase inhibitor that has recently shown promise as a treatment for neuropathic pain via its ability to attenuate glial cell activation. Accordingly, here we demonstrate that pre-treatment of both human and mouse microglial cells with increasing doses of ibudilast inhibited Tat-induced synthesis of TNFα by microglial cells in a manner dependent on serine/threonine protein phosphatase activity. Ibudilast had no effect on Tat-induced p38 MAP kinase activation, and blockade of adenosine A2A receptor activation did not reverse ibudilast's inhibition of Tat-induced TNFα production. Interestingly, ibudilast reduced Tat-mediated transcription of TNFα, via modulation of nuclear factor-kappa B (NF-κB) signaling, as shown by transcriptional activity of NF-κB and analysis of inhibitor of kappa B alpha (IκBα) stability. Together, our findings shed light on the mechanism of ibudilast's inhibition of Tat-induced TNFα production in microglial cells and may implicate ibudilast as a potential novel adjunctive therapy for the management of HAND
Transmigration of polymorphnuclear neutrophils and monocytes through the human blood-cerebrospinal fluid barrier after bacterial infection in vitro
Background: Bacterial invasion through the blood-cerebrospinal fluid barrier (BCSFB) during bacterial meningitis causes secretion of proinflammatory cytokines/chemokines followed by the recruitment of leukocytes into the CNS. In this study, we analyzed the cellular and molecular mechanisms of polymorphonuclear neutrophil (PMN) and monocyte transepithelial transmigration (TM) across the BCSFB after bacterial infection. Methods: Using an inverted transwell filter system of human choroid plexus papilloma cells (HIBCPP), we studied leukocyte TM rates, the migration route by immunofluorescence, transmission electron microscopy and focused ion beam/scanning electron microscopy, the secretion of cytokines/chemokines by cytokine bead array and posttranslational modification of the signal regulatory protein (SIRP) α via western blot. Results: PMNs showed a significantly increased TM across HIBCPP after infection with wild-type Neisseria meningitidis (MC58). In contrast, a significantly decreased monocyte transmigration rate after bacterial infection of HIBCPP could be observed. Interestingly, in co-culture experiments with PMNs and monocytes, TM of monocytes was significantly enhanced. Analysis of paracellular permeability and transepithelial electrical resistance confirmed an intact barrier function during leukocyte TM. With the help of the different imaging techniques we could provide evidence for para- as well as for transcellular migrating leukocytes. Further analysis of secreted cytokines/chemokines showed a distinct pattern after stimulation and transmigration of PMNs and monocytes. Moreover, the transmembrane glycoprotein SIRPα was deglycosylated in monocytes, but not in PMNs, after bacterial infection. Conclusions: Our findings demonstrate that PMNs and monoctyes differentially migrate in a human BCSFB model after bacterial infection. Cytokines and chemokines as well as transmembrane proteins such as SIRPα may be involved in this process
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