3,694 research outputs found
Structure and dielectric properties of polar fluids with extended dipoles: results from numerical simulations
The strengths and short-comings of the point-dipole model for polar fluids of
spherical molecules are illustrated by considering the physically more relevant
case of extended dipoles formed by two opposite charges separated by a
distance (dipole moment ). Extensive Molecular Dynamics
simulations on a high density dipolar fluid are used to analyse the dependence
of the pair structure, dielectric constant \eps and dynamics as a function of
the ratio (\sig is the molecular diameter), for a fixed dipole
moment . The point dipole model is found to agree well with the extended
dipole model up to d/\sig \simeq 0.3. Beyond that ratio, \eps shows a
non-trivial variation with d/\sig. When d/\sig>0.6, a transition is
observed towards a hexagonal columnar phase; the corresponding value of the
dipole moment, \mu^2/\sig^3 k T=3, is found to be substantially lower than
the value of the point dipole required to drive a similar transition.Comment: 10 pages, 11 figures; Paper submitted to Molecular Physic
Strong pressure-energy correlations in van der Waals liquids
Strong correlations between equilibrium fluctuations of the configurational
parts of pressure and energy are found in the Lennard-Jones liquid and other
simple liquids, but not in hydrogen-bonding liquids like methanol and water.
The correlations, that are present also in the crystal and glass phases,
reflect an effective inverse power-law repulsive potential dominating
fluctuations, even at zero and slightly negative pressure. In experimental data
for supercritical Argon, the correlations are found to be approximately 96%.
Consequences for viscous liquid dynamics are discussed.Comment: Phys. Rev. Lett., in pres
Genetic steps to organ laterality in zebrafish.
All internal organs are asymmetric along the left-right axis. Here we report a genetic screen to discover mutations which perturb organ laterality. Our particular focus is upon whether, and how, organs are linked to each other as they achieve their laterally asymmetric positions. We generated mutations by ENU mutagenesis and examined F3 progeny using a cocktail of probes that reveal early primordia of heart, gut, liver and pancreas. From the 750 genomes examined, we isolated seven recessive mutations which affect the earliest left-right positioning of one or all of the organs. None of these mutations caused discernable defects elsewhere in the embryo at the stages examined. This is in contrast to those mutations we reported previously (Chen et al., 1997) which, along with left-right abnormalities, cause marked perturbation in gastrulation, body form or midline structures. We find that the mutations can be classified on the basis of whether they perturb relationships among organ laterality. In Class 1 mutations, none of the organs manifest any left-right asymmetry. The heart does not jog to the left and normally leftpredominant BMP4 in the early heart tube remains symmetric. The gut tends to remain midline. There frequently is a remarkable bilateral duplication of liver and pancreas. Embryos with Class 2 mutations have organotypic asymmetry but, in any given embryo, organ positions can be normal, reversed or randomized. Class 3 reveals a hitherto unsuspected gene that selectively affects laterality of heart. We find that visceral organ positions are predicted by the direction of the preceding cardiac jog. We interpret this as suggesting that normally there is linkage between cardiac and visceral organ laterality. Class 1 mutations, we suggest, effectively remove the global laterality signals, with the consequence that organ positions are effectively symmetrical. Embryos with Class 2 mutations do manifest linkage among organs, but it may be reversed, suggesting that the global signals may be present but incorrectly orientated in some of the embryos. That laterality decisions of organs may be independently perturbed, as in the Class 3 mutation, indicates that there are distinctive pathways for reception and organotypic interpretation of the global signals
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IPEP: The integrated performance evaluation program for the Department of Energy`s Office of Environmental Management
The quality of the analytical data being provided to DOE`s Office of Environmental Management (EM) for environmental restoration activities and the extent to which these data meet the data quality objectives are critical in the decision-making process. One of several quality metrics that can be used in evaluating a laboratory is its performance in performance evaluation (PE) programs. In support of DOE`s environmental restoration and waste management efforts, EM has been charged with developing and implementing a program to assess the performance of participating laboratories. Argonne National Laboratory (ANL) and DOE`s Environmental Measurements Laboratory (EML) and Radiological and Environmental Sciences Laboratory (RESL) have been collaborating on the development and implementation of a comprehensive Integrated Performance Evaluation Program (IPEP) for DOE-wide implementation. The IPEP will use results from existing inorganic, organic, and radiological PE programs when these are available and appropriate for the analytes and matrices being determined for DOE`s EM activities. Existing programs include the U.S. Environmental Protection Agency`s (EPA`s) Contract Laboratory Program (CLP), the Water Supply (WS) and Water Pollution (WP) PE studies for inorganic and organic analytes, and DOE`s Quality Assessment Program (QAP) for radiological analytes. In addition, DOE has begun the development of the Mixed Analyte Performance Evaluation Program (MAPEP) to address the needs of the DOE Complex. These PE programs provide a spectrum of matrices and analytes covering the various inorganic, organic, and low-level radiologic categories found in routine environmental and waste samples. These PE programs already provide some assessment of laboratory performance; IPEP will expand these assessments by evaluating historical performance, as well as results from multiple PE programs, thereby providing an enhanced usage of the PE program information
Long Distance Correlations in Molecular Orientations of Liquid Water and Shape Dependant Hydrophobic Force
Liquid water, at ambient conditions, has short-range density correlations
which are well known in literature. Surprisingly, large scale molecular
dynamics simulations reveal an unusually long-distance correlation in
`longitudinal' part of dipole-dipole orientational correlations. It is
non-vanishing even at 75 \AA{} and falls-off exponentially with a correlation
length of about 24 \AA{} beyond solvation region. Numerical evidence suggests
that the long range nature of dipole-dipole correlation is due to underlying
fluctuating network of hydrogen-bonds in the liquid phase. This correlation is
shown to give a shape dependant attraction between two hydrophobic surfaces at
large distances of separation and the range of this attractive force is in
agreement with experiments. In addition it is seen that quadrupolar
fluctuations vanish within the first solvation peak (3 \AA{})Comment: 11 pages, 3 figure
Molecular dynamics simulation of nanocolloidal amorphous silica particles: Part II
Explicit molecular dynamics simulations were applied to a pair of amorphous
silica nanoparticles of diameter 3.2 nm immersed in a background electrolyte.
Mean forces acting between the pair of silica nanoparticles were extracted at
four different background electrolyte concentrations. Dependence of the
inter-particle potential of mean force on the separation and the silicon to
sodium ratio, as well as on the background electrolyte concentration, are
demonstrated. The pH was indirectly accounted for via the ratio of silicon to
sodium used in the simulations. The nature of the interaction of the
counter-ions with charged silica surface sites (deprotonated silanols) was also
investigated. The effect of the sodium double layer on the water ordering was
investigated for three Si:Na+ ratios. The number of water molecules trapped
inside the nanoparticles was investigated as the Si:Na+ ratio was varied.
Differences in this number between the two nanoparticles in the simulations are
attributed to differences in the calculated electric dipole moment. The
implications of the form of the potentials for aggregation are also discussed.Comment: v1. 33 pages, 7 figures (screen-quality PDF), submitted to J. Chem.
Phys v2. 15 pages, 4 tables, 6 figures. Content, author list and title
changed; single space
The AMANDA Neutrino Telescope and the Indirect Search for Dark Matter
With an effective telescope area of order 10^4 m^2, a threshold of ~50 GeV
and a pointing accuracy of 2.5 degrees, the AMANDA detector represents the
first of a new generation of high energy neutrino telescopes, reaching a scale
envisaged over 25 years ago. We describe its performance, focussing on the
capability to detect halo dark matter particles via their annihilation into
neutrinos.Comment: Latex2.09, 16 pages, uses epsf.sty to place 15 postscript figures.
Talk presented at the 3rd International Symposium on Sources and Detection of
Dark Matter in the Universe (DM98), Santa Monica, California, Feb. 199
SosA inhibits cell division in Staphylococcus aureus in response to DNA damage.
Inhibition of cell division is critical for viability under DNA-damaging conditions. DNA damage induces the SOS response that in bacteria inhibits cell division while repairs are being made. In coccoids, such as the human pathogen, Staphylococcus aureus, this process remains poorly studied. Here, we identify SosA as the staphylococcal SOS-induced cell division inhibitor. Overproduction of SosA inhibits cell division, while sosA inactivation sensitizes cells to genotoxic stress. SosA is a small, predicted membrane protein with an extracellular C-terminal domain in which point mutation of residues that are conserved in staphylococci and major truncations abolished the inhibitory activity. In contrast, a minor truncation led to SosA accumulation and a strong cell division inhibitory activity, phenotypically similar to expression of wild-type SosA in a CtpA membrane protease mutant. This suggests that the extracellular C-terminus of SosA is required both for cell division inhibition and for turnover of the protein. Microscopy analysis revealed that SosA halts cell division and synchronizes the cell population at a point where division proteins such as FtsZ and EzrA are localized at midcell, and the septum formation is initiated but unable to progress to closure. Thus, our findings show that SosA is central in cell division regulation in staphylococci
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Analytical Chemistry Laboratory progress report for FY 1998.
This report summarizes the activities of the Analytical Chemistry Laboratory (ACL) at Argonne National Laboratory (ANL) for Fiscal Year (FY) 1998 (October 1997 through September 1998). This annual progress report, which is the fifteenth in this series for the ACL, describes effort on continuing projects, work on new projects, and contributions of the ACL staff to various programs at ANL
The AMANDA Neutrino Telescope: Principle of Operation and First Results
AMANDA is a high-energy neutrino telescope presently under construction at
the geographical South Pole. In the Antarctic summer 1995/96, an array of 80
optical modules (OMs) arranged on 4 strings (AMANDA-B4) was deployed at depths
between 1.5 and 2 km. In this paper we describe the design and performance of
the AMANDA-B4 prototype, based on data collected between February and November
1996. Monte Carlo simulations of the detector response to down-going
atmospheric muon tracks show that the global behavior of the detector is
understood. We describe the data analysis method and present first results on
atmospheric muon reconstruction and separation of neutrino candidates. The
AMANDA array was upgraded with 216 OMs on 6 new strings in 1996/97
(AMANDA-B10), and 122 additional OMs on 3 strings in 1997/98.Comment: 36 pages, 23 figures, submitted to Astroparticle Physic
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