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At least 469 records · Page 26

Computer Modeling of Protocellular Functions: Peptide Insertion in Membranes

Lipid vesicles became the precursors to protocells by acquiring the capabilities needed to survive and reproduce. These include transport of ions, nutrients and waste products across cell walls and capture of energy and its conversion into a chemically usable form. In modem organisms these functions are carried out by membrane-bound proteins (about 30% of the genome codes for this kind of proteins). A number of properties of alpha-helical peptides suggest that their associations are excellent candidates for protobiological precursors of proteins. In particular, some simple a-helical peptides can aggregate spontaneously and form functional channels. This process can be described conceptually by a three-step thermodynamic cycle: 1 - folding of helices at the water-membrane interface, 2 - helix insertion into the lipid bilayer and 3 - specific interactions of these helices that result in functional tertiary structures. Although a crucial step, helix insertion has not been adequately studied because of the insolubility and aggregation of hydrophobic peptides. In this work, we use computer simulation methods (Molecular Dynamics) to characterize the energetics of helix insertion and we discuss its importance in an evolutionary context. Specifically, helices could self-assemble only if their interactions were sufficiently strong to compensate the unfavorable Free Energy of insertion of individual helices into membranes, providing a selection mechanism for protobiological evolution.

Rodriquez-Gomez, D.↗

Comparisons of Temporal and Spatial Trends in the Spatially Complete Global Spectral Surface Albedos Products

Five years of spatially complete snow-free land surface albedo data have been prepared using high quality white-sky and black-sky land surface albedo observations (MOD43B3) from the MODIS instrument aboard NASA's Terra satellite platform. The data were generated using an updated ecosystem-dependent temporal interpolation technique. In this paper, we describe the refinements in the technique and the creation of a spatially complete snow-free five-year aggregate climatology product. This paper also describes an error analysis of the interpolation technique. The filled albedo products are examined through comparisons of temporal and spatial trends for pixels that have been filled versus pixels that have been retained in the original MOD43B3 values. The variability in the trends showcase how the filling technique maintains the pixel-level spatial, spectral, and temporal integrity of the MOD43B3 data. These comparisons are made for both a single-year of filled data, year 2002, and for the five-year aggregate climatology product.

Moody, Eric G.↗

Growth Mechanism of the (110) Face of Tetragonal Lysozyme Crystals

The measured macroscopic growth rates of the (110) face of tetragonal lysozyme show an unexpectedly complex dependence on the supersaturation. In earlier studies it has been shown that an aggregate growth unit could account for experimental growth-rate trends. In particular molecular packing and interactions in the growth of the crystal were favored by completion of the helices along the 4, axes. In this study the molecular orientations of the possible growth units and the molecular growth mechanism were identified. This indicated that growth was a two-step process: aggregate growth units corresponding to the 4, helix are first formed in the bulk solution by stronger intermolecular bonds and then attached to the crystal face by weaker bonds. A more comprehensive analysis of the measured (110) growth rates was also undertaken. They were compared with the predicted growth rates from several dislocation and two-dimensional nucleation growth models, employing tetramer and Octamer growth units in polydisperse solutions and monomer units in monodisperse solutions. The calculations consistently showed that the measured growth rates followed the expected model relations with octamer growth units, in agreement with the predictions from the molecular level analyses.

Nadarajah, Arunan↗

Shock, Post-Shock Annealing, and Post-Annealing Shock in Ureilites

The thermal and shock histories of ureilites can be divided into four periods: 1) formation, 2) initial shock, 3) post-shock annealing, and 4) post-annealing shock. Period 1 occurred approx.4.55 Ga ago when ureilites formed by melting chondritic material. Impact events during period 2 caused silicate darkening, undulose to mosaic extinction in olivines, and the formation of diamond, lonsdaleite, and chaoite from indigenous carbonaceous material. Alkali-rich fine-grained silicates may have been introduced by impact injection into ureilites during this period. About 57% of the ureilites were unchanged after period 2. During period 3 events, impact-induced annealing caused previously mosaicized olivine grains to become aggregates of small unstrained crystals. Some ureilites experienced reduction as FeO at the edges of olivine grains reacted with C from the matrix. Annealing may also be responsible for coarsening of graphite in a few ureilites, forming euhedral-appearing, idioblastic crystals. Orthopyroxene in Meteorite Hills (MET) 78008 may have formed from pigeonite by annealing during this period. The Rb-Sr internal isochron age of approx.4.0 Ga for MET 78008 probably dates the annealing event. At this late date, impacts are the only viable heat source. About 36% of ureilites experienced period 3 events, but remained unchanged afterwards. During period 4, approx.7% of the ureilites were shocked again, as is evident in the polymict breccia, Elephant Moraine (EET) 83309. This rock contains annealed mosaicized olivine aggregates composed of small individual olivine crystals that exhibit undulose extinction. Ureilites may have formed by impact-melting chondritic material on a primitive body with heterogeneous O isotopes. Plagioclase was preferentially lost from the system due to its low impedance to shock compression. Brief melting and rapid burial minimized the escape of planetary-type noble gases from the ureilitic melts. Incomplete separation of metal from silicates during impact melting left ureilites with relatively high concentrations of trace siderophile elements.

Rubin, Alan E.↗

Computer Simulation of Fracture in Aerogels

Aerogels are of interest to the aerospace community primarily for their thermal properties, notably their low thermal conductivities. While the gels are typically fragile, recent advances in the application of conformal polymer layers to these gels has made them potentially useful as lightweight structural materials as well. In this work, we investigate the strength and fracture behavior of silica aerogels using a molecular statics-based computer simulation technique. The gels' structure is simulated via a Diffusion Limited Cluster Aggregation (DLCA) algorithm, which produces fractal structures representing experimentally observed aggregates of so-called secondary particles, themselves composed of amorphous silica primary particles an order of magnitude smaller. We have performed multi-length-scale simulations of fracture in silica aerogels, in which the interaction b e e n two secondary particles is assumed to be described by a Morse pair potential parameterized such that the potential range is much smaller than the secondary particle size. These Morse parameters are obtained by atomistic simulation of models of the experimentally-observed amorphous silica "bridges," with the fracture behavior of these bridges modeled via molecular statics using a Morse/Coulomb potential for silica. We consider the energetics of the fracture, and compare qualitative features of low-and high-density gel fracture.

Good, Brian S.↗

A Small Angle Scattering Sensor System for the Characterization of Combustion Generated Particulate

One of the critical issues for the US space program is fire safety of the space station and future launch vehicles. A detailed understanding of the scattering signatures of particulate is essential for the development of a false alarm free fire detection system. This paper describes advanced optical instrumentation developed and applied for fire detection. The system is being designed to determine four important physical properties of disperse fractal aggregates and particulates including size distribution, number density, refractive indices, and fractal dimension. Combustion generated particulate are the primary detection target; however, in order to discriminate from other particulate, non-combustion generated particles should also be characterized. The angular scattering signature is measured and analyzed using two photon optical laser scattering. The Rayleigh-Debye-Gans (R-D-G) scattering theory for disperse fractal aggregates is utilized. The system consists of a pulsed laser module, detection module and data acquisition system and software to analyze the signals. The theory and applications are described.

Feikema, Douglas A.↗

Coordinated Chemical and Isotropic Studies of IDPS: Comparison of Circumstellar and Solar GEMS Grains

Silicate stardust in IDPs and meteorites include forsterite, amorphous silicates, and GEMS grains [1]. Amorphous presolar silicates are much less abundant than expected based on astronomical models [2], possibly destroyed by parent body alteration. A more accurate accounting of presolar silicate mineralogy may be preserved in anhydrous IDPs. Here we present results of coordinated TEM and isotopic analyses of an anhydrous IDP (L2005AL5) that is comprised of crystalline silicates and sulfides, GEMS grains, and equilibrated aggregates embedded in a carbonaceous matrix. Nanometer-scale quantitative compositional maps of all grains in two microtome thin sections were obtained with a JEOL 2500SE. These sections were then subjected to O and N isotopic imaging with the JSC NanoSIMS 50L. Coordinated high resolution chemical maps and O isotopic com-positions were obtained on 11 GEMS grains, 8 crystalline grains, and 6 equilibrated aggregates.

Keller, L. P.↗

Land-Cover and Land-Use Change in the Brazilian Amazon: Smallholders, Ranchers and Frontier Stratification

Tropical deforestation is a significant driver of global environmental change, given its impacts on the carbon cycle and biodiversity. Loss of the Amazon forest, the focus of this article, is of particular concern because of the size and the rapid rate at which the forest is being converted to agricultural use. In this article, we identify what has been the most important driver of deforestation in a specific colonization frontier in the Brazilian Amazon. To this end, we consider (1) the land-use dynamics of smallholder households, (2) the formation of pasture by large-scale ranchers, and (3) structural processes of land aggregation by ranchers. Much has been written about relations between smallholders and ranchers in the Brazilian Amazon, particularly those involving conflict over land, and this article explicates the implications of such social processes for land cover. Toward this end, we draw on panel data (1996-2002) and satellite imagery (1986-1999) to show the deforestation that is attributable to small- and largeholders, and the deforestation that is attributable to aggregations of property arising from a process that we refer to as frontier stratification. Evidently, most of the recent deforestation in the study area has resulted from the household processes of smallholders, not from conversions to pasture pursuant to the appropriations of smallholders' property by well-capitalized ranchers or speculators.

Aldrich, Stephen P.↗

The Formation and Chronology of the PAT 91501 Impact-Melt L-Chondrite with Vesicle-Metal-Sulfide Assemblages

The L chondrite Patuxent Range (PAT) 41 91501 is an 8.5-kg unshocked, homogeneous, igneous-textured impact melt that cooled slowly compared to other meteoritic impact melts in a crater floor melt sheet or sub-crater dike. We conducted mineralogical and tomographic studies of previously unstudied mm- to cm-sized metal-sulfide-vesicle assemblages and chronologic studies of the silicate host. Metal-sulfide clasts constitute about 1 vol.%, comprise zoned taenite, troilite and pentlandite, and exhibit a consistent orientation between metal and sulfide and of metal-sulfide contacts. Vesicles make up approximately 2 vol.% and exhibit a similar orientation of long axes. Ar-39-Ar-40 measurements date the time of impact at 4.461 +/- 0.008 Gyr B.P. Cosmogenic noble gases and Be-10 and Al-2l activities suggest a pre-atmospheric radius of 40-60 cm and a cosmic ray exposure age of 25-29 Myr, similar to ages of a cluster of L chondrites. PAT 91501 dates the oldest known impact on the L chondrite parent body. The dominant vesicle-forming gas was S2 (approximately 15-20 ppm), which formed in equilibrium with impact-melted sulfides. The meteorite formed in an impact melt dike beneath a crater, as did other impact melted L chondrites, such as Chico. Cooling and solidification occurred over approximately 2 hours. During this time, approximately 90% of metal and sulfide segregated from the local melt. Remaining metal and sulfide grains oriented themselves in the local gravitational field, a feature nearly unique among meteorites. Many of these metal sulfide grains adhered to vesicles to form aggregates that may have been close to neutrally buoyant. These aggregates would have been carried upward with the residual melt, inhibiting further buoyancy-driven segregation. Although similar processes operated individually in other chondritic impact melts, their interaction produced the unique assemblage observed in PAT 91501.

Benedix, G. K.↗

Multimedia content description framework

A framework is provided for describing multimedia content and a system in which a plurality of multimedia storage devices employing the content description methods of the present invention can interoperate. In accordance with one form of the present invention, the content description framework is a description scheme (DS) for describing streams or aggregations of multimedia objects, which may comprise audio, images, video, text, time series, and various other modalities. This description scheme can accommodate an essentially limitless number of descriptors in terms of features, semantics or metadata, and facilitate content-based search, index, and retrieval, among other capabilities, for both streamed or aggregated multimedia objects.

Bergman, Lawrence David↗

Dynamically controlled crystal growth system

Crystal growth can be initiated and controlled by dynamically controlled vapor diffusion or temperature change. In one aspect, the present invention uses a precisely controlled vapor diffusion approach to monitor and control protein crystal growth. The system utilizes a humidity sensor and various interfaces under computer control to effect virtually any evaporation rate from a number of different growth solutions simultaneously by means of an evaporative gas flow. A static laser light scattering sensor can be used to detect aggregation events and trigger a change in the evaporation rate for a growth solution. A control/follower configuration can be used to actively monitor one chamber and accurately control replicate chambers relative to the control chamber. In a second aspect, the invention exploits the varying solubility of proteins versus temperature to control the growth of protein crystals. This system contains miniature thermoelectric devices under microcomputer control that change temperature as needed to grow crystals of a given protein. Complex temperature ramps are possible using this approach. A static laser light scattering probe also can be used in this system as a non-invasive probe for detection of aggregation events. The automated dynamic control system provides systematic and predictable responses with regard to crystal size. These systems can be used for microgravity crystallization projects, for example in a space shuttle, and for crystallization work under terrestial conditions. The present invention is particularly useful for macromolecular crystallization, e.g. for proteins, polypeptides, nucleic acids, viruses and virus particles.

Bray, Terry L.↗

Optical devices and methods employing nanoparticles, microcavities, and semicontinuous metal films

An optical sensing enhancing material (and corresponding method of making) comprising: a medium, the medium comprising a plurality of aggregated nanoparticles comprising fractals; and a microcavity, wherein the medium is located in a vicinity of the microcavity. Also an optical sensor and sensing method comprising: providing a doped medium, the medium comprising a plurality of aggregated nanoparticles comprising fractals, with the material; locating the doped medium in the vicinity of a microcavity; exciting the doped medium with a light source; and detecting light reflected from the doped medium. Also an optical sensing enhancing material comprising a medium, the medium comprising a semicontinuous metal film of randomly distributed metal particles and their clusters at approximately their percolation threshold. The medium preferably additionally comprises a microcavity/microresonator. Also devices and methods employing such material.

Armstrong, Robert L.↗

Sulfur "Concrete" for Lunar Applications - Sublimation Concerns

Melting sulfur and mixing it with an aggregate to form "concrete" is commercially well established and constitutes a material that is particularly well-suited for use in corrosive environments. Discovery of the mineral troilite (FeS) on the moon poses the question of extracting the sulfur for use as a lunar construction material. This would be an attractive alternative to conventional concrete as it does not require water. However, the viability of sulfur concrete in a lunar environment, which is characterized by lack of an atmosphere and extreme temperatures, is not well understood. Here it is assumed that the lunar ore can be mined, refined, and the raw sulfur melded with appropriate lunar regolith to form, for example, bricks. This study evaluates pure sulfur and two sets of small sulfur concrete samples that have been prepared using JSC-1 lunar stimulant and SiO2 powder as aggregate additions. Each set was subjected to extended periods in a vacuum environment to evaluate sublimation issues. Results from these experiments are presented and discussed within the context of the lunar environment.

Grugel, Richard N.↗

Observed Enhancement of Reflectivity and Electric Field in Long-Lived Florida Anvils

A study of two long-lived Florida anvils showed that reflectivity greater than 20 dBZ increased in area, thickness and sometimes magnitude at mid-level well downstream of the convective cores. In these same regions electric fields maintained strengths greater than 10 kV m(sup -1) for many tens of minutes and became quite uniform over tens of kilometers. Millimetric aggregates persisted at 9 to 10 km for extended times and distances. Aggregation of ice particles enhanced by strong electric fields might have contributed to reflectivity growth in the early anvil, but is unlikely to explain observations further out in the anvil. The enhanced reflectivity and existence of small, medium and large ice particles far out into the anvil suggest that an updraft was acting, perhaps in weak convective cells formed by instability generated from the evaporation and melting of falling ice particles. We conclude that charge separation must have occurred in these anvils, perhaps at the melting level but also at higher altitudes, in order to maintain fields greater than 10 kV m(sup -1) at 9 to 10 km for extended periods of time over large distances. We speculate that charge separation occurred as a result of ice-ice particle collisions (without supercooled water being present) via either a noninductive or perhaps even an inductive mechanism, given the observed broad ice particle spectra, the strong pre-existing electric fields and the many tens of minutes available for particle interactions. The observations, particularly in the early anvil, show that the charge structure in these anvils was quite complex.

Dye, James E.↗

Model Calibration in Watershed Hydrology

Hydrologic models use relatively simple mathematical equations to conceptualize and aggregate the complex, spatially distributed, and highly interrelated water, energy, and vegetation processes in a watershed. A consequence of process aggregation is that the model parameters often do not represent directly measurable entities and must, therefore, be estimated using measurements of the system inputs and outputs. During this process, known as model calibration, the parameters are adjusted so that the behavior of the model approximates, as closely and consistently as possible, the observed response of the hydrologic system over some historical period of time. This Chapter reviews the current state-of-the-art of model calibration in watershed hydrology with special emphasis on our own contributions in the last few decades. We discuss the historical background that has led to current perspectives, and review different approaches for manual and automatic single- and multi-objective parameter estimation. In particular, we highlight the recent developments in the calibration of distributed hydrologic models using parameter dimensionality reduction sampling, parameter regularization and parallel computing.

Yilmaz, Koray K.↗

Performance of "Waterless Concrete"

Waterless concrete consists of molten elementary sulfur and aggregate. The aggregates in a lunar environment will be lunar rocks and soil. Sulfur is present on the Moon in Troilite soil (FeS) and, by oxidation of the soil, iron and sulfur can be produced. Sulfur concrete specimens were cycled between liquid nitrogen (approx.]91 C) and room temperature (^21 C) to simulate exposure to a lunar environment. Cycled and control specimens were subsequently tested in compression at room temperatures (^21 C) and ^-101 C. Test results showed that due to temperature cycling, the compressive strength of cycled specimens was 20% of those non-cycled. This reduction in strength can be attributed to the large differences in thermal coefficients of expansion of the materials constituting the concrete which promoted cracking. Similar sulfur concrete mixtures were strengthened with short and long glass fibres. The lunar regolith simulant was melted in a 25 cc Pt- Rh crucible in a Sybron Thermoline high temperature MoSi2 furnace at melting temperatures of 1450 to 1600 C for times of 30 min to i hour. Glass fibres and small rods were pulled from the melt. The glass fibres were used to reinforce sulfur concrete plated to improve the flexural strength of the sulfur concrete. Beams strengthened with glass fibres showed to exhibit an increase in the flexural strength by as much as 45%.

Toutanji, H. A.↗

Mineralogy of the Almahata Sitta Ureilite

Mineralogy & Petrography: Almahata Sitta, deriving from the asteroid 2008 TC3, is a coarse-grained- to porous, fine-grained, fragmental breccia with subrounded mineral fragments and olivine aggregates embedded in a cataclastic matrix of ureilitic material. Mineral fragments include polycrystalline olivine, low-calcium, pigeonite, and augite. Abundant carbonaceous aggregates containing graphite, microdiamonds and aliphatics. Kamacite, Cr-rich troilite, silica and schreibersite are abundant. The compositional range of the silicates is characteristic of the ureilites as a group, but unusually broad for an individual ureilite. The dense lithology is typical for ureilites, but the porous lithology is anomalous. In the porous lithology pore walls are largely coated by crystals of olivine. Classification: Almahata Sitta is an anomalous, polymict eucrite. Anomalous features include large compositional range of silicates, high abundance and large size of pores, crystalline pore wall linings, and fine-grained texture. Tomography reveals that the pores define thin, discontinuous "sheets" connected in three dimensions, suggesting that they outline grains that have been incompletely welded together. The crystals lining the pore walls are probably vapor phase deposits. Therefore Almahata Sitta may represent an agglomeration of coarse- to fine-grained, incompletely reduced pellets formed during impact, and subsequently welded together at high temperature.

Zolensky, Michael E.↗

Common Cause Failure Modeling: Aerospace Versus Nuclear

Aggregate nuclear plant failure data is used to produce generic common-cause factors that are specifically for use in the common-cause failure models of NUREG/CR-5485. Furthermore, the models presented in NUREG/CR-5485 are specifically designed to incorporate two significantly distinct assumptions about the methods of surveillance testing from whence this aggregate failure data came. What are the implications of using these NUREG generic factors to model the common-cause failures of aerospace systems? Herein, the implications of using the NUREG generic factors in the modeling of aerospace systems are investigated in detail and strong recommendations for modeling the common-cause failures of aerospace systems are given.

Stott, James E.↗