Morphological Influence of Solution-Processed Zinc Oxide Films on Electrical Characteristics of Thin-Film Transistors

PubMed Central

Lee, Hyeonju; Zhang, Xue; Hwang, Jaeeun; Park, Jaehoon

2016-01-01

We report on the morphological influence of solution-processed zinc oxide (ZnO) semiconductor films on the electrical characteristics of ZnO thin-film transistors (TFTs). Different film morphologies were produced by controlling the spin-coating condition of a precursor solution, and the ZnO films were analyzed using atomic force microscopy, X-ray diffraction, X-ray photoemission spectroscopy, and Hall measurement. It is shown that ZnO TFTs have a superior performance in terms of the threshold voltage and field-effect mobility, when ZnO crystallites are more densely packed in the film. This is attributed to lower electrical resistivity and higher Hall mobility in a densely packed ZnO film. In the results of consecutive TFT operations, a positive shift in the threshold voltage occurred irrespective of the film morphology, but the morphological influence on the variation in the field-effect mobility was evident. The field-effect mobility in TFTs having a densely packed ZnO film increased continuously during consecutive TFT operations, which is in contrast to the mobility decrease observed in the less packed case. An analysis of the field-effect conductivities ascribes these results to the difference in energetic traps, which originate from structural defects in the ZnO films. Consequently, the morphological influence of solution-processed ZnO films on the TFT performance can be understood through the packing property of ZnO crystallites. PMID:28773973

Two-Dimensional Ordering of Solute Nanoclusters at a Close-Packed Stacking Fault: Modeling and Experimental Analysis

PubMed Central

Kimizuka, Hajime; Kurokawa, Shu; Yamaguchi, Akihiro; Sakai, Akira; Ogata, Shigenobu

2014-01-01

Predicting the equilibrium ordered structures at internal interfaces, especially in the case of nanometer-scale chemical heterogeneities, is an ongoing challenge in materials science. In this study, we established an ab-initio coarse-grained modeling technique for describing the phase-like behavior of a close-packed stacking-fault-type interface containing solute nanoclusters, which undergo a two-dimensional disorder-order transition, depending on the temperature and composition. Notably, this approach can predict the two-dimensional medium-range ordering in the nanocluster arrays realized in Mg-based alloys, in a manner consistent with scanning tunneling microscopy-based measurements. We predicted that the repulsively interacting solute-cluster system undergoes a continuous evolution into a highly ordered densely packed morphology while maintaining a high degree of six-fold orientational order, which is attributable mainly to an entropic effect. The uncovered interaction-dependent ordering properties may be useful for the design of nanostructured materials utilizing the self-organization of two-dimensional nanocluster arrays in the close-packed interfaces. PMID:25471232

Direct Numerical Simulation of Pebble Bed Flows: Database Development and Investigation of Low-Frequency Temporal Instabilities

DOE PAGES

Fick, Lambert H.; Merzari, Elia; Hassan, Yassin A.

2017-02-20

Computational analyses of fluid flow through packed pebble bed domains using the Reynolds-averaged NavierStokes framework have had limited success in the past. Because of a lack of high-fidelity experimental or computational data, optimization of Reynolds-averaged closure models for these geometries has not been extensively developed. In the present study, direct numerical simulation was employed to develop a high-fidelity database that can be used for optimizing Reynolds-averaged closure models for pebble bed flows. A face-centered cubic domain with periodic boundaries was used. Flow was simulated at a Reynolds number of 9308 and cross-verified by using available quasi-DNS data. During the simulations,more » low-frequency instability modes were observed that affected the stationary solution. Furthermore, these instabilities were investigated by using the method of proper orthogonal decomposition, and a correlation was found between the time-dependent asymmetry of the averaged velocity profile data and the behavior of the highest energy eigenmodes.« less

Direct Numerical Simulation of Pebble Bed Flows: Database Development and Investigation of Low-Frequency Temporal Instabilities

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fick, Lambert H.; Merzari, Elia; Hassan, Yassin A.

Computational analyses of fluid flow through packed pebble bed domains using the Reynolds-averaged NavierStokes framework have had limited success in the past. Because of a lack of high-fidelity experimental or computational data, optimization of Reynolds-averaged closure models for these geometries has not been extensively developed. In the present study, direct numerical simulation was employed to develop a high-fidelity database that can be used for optimizing Reynolds-averaged closure models for pebble bed flows. A face-centered cubic domain with periodic boundaries was used. Flow was simulated at a Reynolds number of 9308 and cross-verified by using available quasi-DNS data. During the simulations,more » low-frequency instability modes were observed that affected the stationary solution. Furthermore, these instabilities were investigated by using the method of proper orthogonal decomposition, and a correlation was found between the time-dependent asymmetry of the averaged velocity profile data and the behavior of the highest energy eigenmodes.« less

Bin packing problem solution through a deterministic weighted finite automaton

NASA Astrophysics Data System (ADS)

Zavala-Díaz, J. C.; Pérez-Ortega, J.; Martínez-Rebollar, A.; Almanza-Ortega, N. N.; Hidalgo-Reyes, M.

2016-06-01

In this article the solution of Bin Packing problem of one dimension through a weighted finite automaton is presented. Construction of the automaton and its application to solve three different instances, one synthetic data and two benchmarks are presented: N1C1W1_A.BPP belonging to data set Set_1; and BPP13.BPP belonging to hard28. The optimal solution of synthetic data is obtained. In the first benchmark the solution obtained is one more container than the ideal number of containers and in the second benchmark the solution is two more containers than the ideal solution (approximately 2.5%). The runtime in all three cases was less than one second.

Volumetric Interpretation of Protein Adsorption: Interfacial Packing of Protein Adsorbed to Hydrophobic Surfaces from Surface-Saturating Solution Concentrations

PubMed Central

Kao, Ping; Parhi, Purnendu; Krishnan, Anandi; Noh, Hyeran; Haider, Waseem; Tadigadapa, Srinivas; Allara, David L.; Vogler, Erwin A.

2010-01-01

The maximum capacity of a hydrophobic adsorbent is interpreted in terms of square or hexagonal (cubic and face-centered-cubic, FCC) interfacial packing models of adsorbed blood proteins in a way that accommodates experimental measurements by the solution-depletion method and quartz-crystal-microbalance (QCM) for the human proteins serum albumin (HSA, 66 kDa), immunoglobulin G (IgG, 160 kDa), fibrinogen (Fib, 341 kDa), and immunoglobulin M (IgM, 1000 kDa). A simple analysis shows that adsorbent capacity is capped by a fixed mass/volume (e.g. mg/mL) surface-region (interphase) concentration and not molar concentration. Nearly analytical agreement between the packing models and experiment suggests that, at surface saturation, above-mentioned proteins assemble within the interphase in a manner that approximates a well-ordered array. HSA saturates a hydrophobic adsorbent with the equivalent of a single square-or-hexagonally-packed layer of hydrated molecules whereas the larger proteins occupy two-or-more layers, depending on the specific protein under consideration and analytical method used to measure adsorbate mass (solution depletion or QCM). Square-or-hexagonal (cubic and FCC) packing models cannot be clearly distinguished by comparison to experimental data. QCM measurement of adsorbent capacity is shown to be significantly different than that measured by solution depletion for similar hydrophobic adsorbents. The underlying reason is traced to the fact that QCM measures contribution of both core protein, water of hydration, and interphase water whereas solution depletion measures only the contribution of core protein. It is further shown that thickness of the interphase directly measured by QCM systematically exceeds that inferred from solution-depletion measurements, presumably because the static model used to interpret solution depletion does not accurately capture the complexities of the viscoelastic interfacial environment probed by QCM. PMID:21035180

Volumetric interpretation of protein adsorption: interfacial packing of protein adsorbed to hydrophobic surfaces from surface-saturating solution concentrations.

PubMed

Kao, Ping; Parhi, Purnendu; Krishnan, Anandi; Noh, Hyeran; Haider, Waseem; Tadigadapa, Srinivas; Allara, David L; Vogler, Erwin A

2011-02-01

The maximum capacity of a hydrophobic adsorbent is interpreted in terms of square or hexagonal (cubic and face-centered-cubic, FCC) interfacial packing models of adsorbed blood proteins in a way that accommodates experimental measurements by the solution-depletion method and quartz-crystal-microbalance (QCM) for the human proteins serum albumin (HSA, 66 kDa), immunoglobulin G (IgG, 160 kDa), fibrinogen (Fib, 341 kDa), and immunoglobulin M (IgM, 1000 kDa). A simple analysis shows that adsorbent capacity is capped by a fixed mass/volume (e.g. mg/mL) surface-region (interphase) concentration and not molar concentration. Nearly analytical agreement between the packing models and experiment suggests that, at surface saturation, above-mentioned proteins assemble within the interphase in a manner that approximates a well-ordered array. HSA saturates a hydrophobic adsorbent with the equivalent of a single square or hexagonally-packed layer of hydrated molecules whereas the larger proteins occupy two-or-more layers, depending on the specific protein under consideration and analytical method used to measure adsorbate mass (solution depletion or QCM). Square or hexagonal (cubic and FCC) packing models cannot be clearly distinguished by comparison to experimental data. QCM measurement of adsorbent capacity is shown to be significantly different than that measured by solution depletion for similar hydrophobic adsorbents. The underlying reason is traced to the fact that QCM measures contribution of both core protein, water of hydration, and interphase water whereas solution depletion measures only the contribution of core protein. It is further shown that thickness of the interphase directly measured by QCM systematically exceeds that inferred from solution-depletion measurements, presumably because the static model used to interpret solution depletion does not accurately capture the complexities of the viscoelastic interfacial environment probed by QCM. Copyright © 2010 Elsevier Ltd. All rights reserved.

The effect of microscopic attractive interactions on piezoelectric coefficients of nanoscale DNA films and its resultant mirocantilever-based biosensor signals

NASA Astrophysics Data System (ADS)

Wu, Jun-Zheng; Zhou, Mei-Hong; Zhang, Neng-Hui

2017-10-01

The adsorption of charged biomolecules on a substrate will trigger a self-induced electric potential field that could deflect microcantilever biosensors in the nanometer regime. The paper is devoted to a multiscale characterization of the piezoelectric coefficient of double-stranded DNA (dsDNA) films with microscopic attractive interactions in multivalence salt solutions, which has a close relationship with biosensor signals. First, two different analytical models of cantilever deflections based on macroscopic piezoelectric theories or mesoscopic liquid crystal theories were combined in the sense of equivalent deformation in order to bridge the relation between the macroscopic piezoelectric coefficient of an adsorbate film and the sensitivity of its microstructure to surrounding conditions. Second, two interaction potentials of the free energy for repulsion-dominated DNA films in NaCl solution or attraction-repulsion-coexisted DNA films in multivalent salt solutions were used to compare the piezoelectric effect and the resultant cantilever deformation at various packing conditions, such as different packing density, various nucleotide numbers and two packing technologies, i.e. nano-grafting or self-assembling technology. The variational tendency of microcantilever deflections predicted by the present multiscale analytical model agrees well with the related DNA-mirocantilever experiments. Negative piezoelectric coefficient of dsDNA film exists in multivalent salt solutions, and its distinctive size effect with different packing densities and nucleotide numbers provides us with an opportunity to obtain a more sensitive microcantilever sensor by careful control of packing conditions.

Deployment Optimization for Embedded Flight Avionics Systems

DTIC Science & Technology

2011-11-01

the iterations, the best solution(s) that evolved out from the group is output as the result. Although metaheuristic algorithms are powerful, they...that other design constraints are met—ScatterD uses metaheuristic algorithms to seed the bin-packing algorithm . In particular, metaheuristic ... metaheuristic algorithms to search the design space—and then using bin-packing to allocate software tasks to processors—ScatterD can generate

Removal of hexavalent chromium by biosorption process in rotating packed bed.

PubMed

Panda, M; Bhowal, A; Datta, S

2011-10-01

Removal of hexavalent chromium ions from an aqueous solution by crude tamarind (Tamarindus indica) fruit shell was examined in a rotating packed bed contactor by continuously recirculating a given volume of solution through the bed. Reduction of Cr(VI) to Cr(III) within the biosorbent appeared to be the removal mechanism. Depletion rate of Cr(VI) from, and release of reduced Cr(III) ions into the aqueous phase, was influenced by mass transfer resistance besides pH and packing depth. A mathematical model considering the reduction reaction to be irreversible and incorporating intraparticle and external phase mass transfer resistances represented the experimental data adequately. The study indicated that the limitations of fixed bed contactor operating under terrestrial gravity in intensifying mass transfer rates for this system can be overcome with rotating packed bed due to liquid flow under centrifugal acceleration.

Fabrication and processing of high-strength densely packed carbon nanotube yarns without solution processes.

PubMed

Liu, Kai; Zhu, Feng; Liu, Liang; Sun, Yinghui; Fan, Shoushan; Jiang, Kaili

2012-06-07

Defects of carbon nanotubes, weak tube-tube interactions, and weak carbon nanotube joints are bottlenecks for obtaining high-strength carbon nanotube yarns. Some solution processes are usually required to overcome these drawbacks. Here we fabricate ultra-long and densely packed pure carbon nanotube yarns by a two-rotator twisting setup with the aid of some tensioning rods. The densely packed structure enhances the tube-tube interactions, thus making high tensile strengths of carbon nanotube yarns up to 1.6 GPa. We further use a sweeping laser to thermally treat as-produced yarns for recovering defects of carbon nanotubes and possibly welding carbon nanotube joints, which improves their Young's modulus by up to ∼70%. The spinning and laser sweeping processes are solution-free and capable of being assembled together to produce high-strength yarns continuously as desired.

Quantitative biomechanical analysis of wrist motion in bone-trimming jobs in the meat packing industry.

PubMed

Marklin, R W; Monroe, J F

1998-02-01

This study was motivated by the serious impact that cumulative trauma disorders (CTDs) of the upper extremities have on the meat packing industry. To date, no quantitative data have been gathered on the kinematics of hand and wrist motion required in bone-trimming jobs in the red-meat packing industry and how these motions are related to the risk of CTDs. The wrist motion of bone-trimming workers from a medium-sized plant was measured, and the kinematic data were compared to manufacturing industry's preliminary wrist motion benchmarks from industrial workers who performed hand-intensive, repetitive work in jobs that were of low and high risk of hand/wrist CTDs. Results of this comparison show that numerous wrist motion variables in both the left and right hands of bone-trimming workers are in the high-risk category. This quantitative analysis provides biomechanical support for the high incidence of CTDs in the meat packing industry. The research reported in this paper established a preliminary database of wrist and hand kinematics required in bone-trimming jobs in the red-meat packing industry. This kinematic database could augment the industry's efforts to reduce the severity and cost of CTDs. Ergonomics practitioners in the industry could use the kinematic methods employed in this research to assess the CTD risk of jobs that require repetitious, hand-intensive work.

Micellar Packing in Aqueous Solutions of As-Received and Pure Pluronic Block Copolymers

NASA Astrophysics Data System (ADS)

Ryu, Chang; Park, Han Jin

2013-03-01

Pluronic block copolymers (Pluronics) are produced on a commercial scale to enable wide range of novel applications from emulsification and colloidal stabilization as nonionic surfactants. While the Pluronic block copolymers offer the advantages of being readily available for such applications, it contains non-micellizable low molecular weight (MW) impurities that would interfere with the self-assembly and micellar packing of PEO-PPO-PEO triblock copolymers in aqueous solutions. The impacts of the low MW impurities will be discussed on the micellar packing of Pluronics F108 and F127 solutions, which form BCC and FCC. While as-received Pluronic samples typically contain about 20 wt.% low MW impurities, we were able to reduce the impurity level to less than 2 wt.% using our large scale purification technique. Comparative studies on small angle x-ray scattering (SAXS) experiments on as-received and purified Pluronics solutions revealed that the contents of triblock copolymers in solutions essentially governs the inter-micellar distance of Pluronic cubic structures. A universal relationship between triblock copolymer concentration and SAXS-based domain spacing has been finally discussed. Funding from Agency for Defense Development, Korea.

Structure-Property Relations in Carbon Nanotube Fibers by Downscaling Solution Processing.

PubMed

Headrick, Robert J; Tsentalovich, Dmitri E; Berdegué, Julián; Bengio, Elie Amram; Liberman, Lucy; Kleinerman, Olga; Lucas, Matthew S; Talmon, Yeshayahu; Pasquali, Matteo

2018-03-01

At the microscopic scale, carbon nanotubes (CNTs) combine impressive tensile strength and electrical conductivity; however, their macroscopic counterparts have not met expectations. The reasons are variously attributed to inherent CNT sample properties (diameter and helicity polydispersity, high defect density, insufficient length) and manufacturing shortcomings (inadequate ordering and packing), which can lead to poor transmission of stress and current. To efficiently investigate the disparity between microscopic and macroscopic properties, a new method is introduced for processing microgram quantities of CNTs into highly oriented and well-packed fibers. CNTs are dissolved into chlorosulfonic acid and processed into aligned films; each film can be peeled and twisted into multiple discrete fibers. Fibers fabricated by this method and solution-spinning are directly compared to determine the impact of alignment, twist, packing density, and length. Surprisingly, these discrete fibers can be twice as strong as their solution-spun counterparts despite a lower degree of alignment. Strength appears to be more sensitive to internal twist and packing density, while fiber conductivity is essentially equivalent among the two sets of samples. Importantly, this rapid fiber manufacturing method uses three orders of magnitude less material than solution spinning, expanding the experimental parameter space and enabling the exploration of unique CNT sources. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Deadly Throwaways--Plastic Six-Pack Binders and Metal Pull-Tabs Doom Wildlife

ERIC Educational Resources Information Center

Ward, Penny

1975-01-01

Thousands of creatures are vulnerable to entrapment, entanglement, strangulation, or starvation as a result of plastic six-pack binders and metal pull-tabs. Possible solutions include: recycling, clean-up campaigns, and strong container legislation. (BT)

7 CFR 966.323 - Handling regulation.

Code of Federal Regulations, 2012 CFR

2012-01-01

... greenhouse tomatoes. Specialty packed red ripe tomatoes, yellow meated tomatoes, and single layer and two layer place packed tomatoes are exempt from the container net weight requirements specified in paragraph...) Definitions. Hydroponic tomatoes means tomatoes grown in solution without soil; greenhouse tomatoes means...

7 CFR 966.323 - Handling regulation.

Code of Federal Regulations, 2014 CFR

2014-01-01

...; and greenhouse tomatoes. Specialty packed red ripe tomatoes, yellow meated tomatoes, and single layer and two layer place packed tomatoes are exempt from the container net weight requirements specified in...) Definitions. Hydroponic tomatoes means tomatoes grown in solution without soil; greenhouse tomatoes means...

7 CFR 966.323 - Handling regulation.

Code of Federal Regulations, 2013 CFR

2013-01-01

... greenhouse tomatoes. Specialty packed red ripe tomatoes, yellow meated tomatoes, and single layer and two layer place packed tomatoes are exempt from the container net weight requirements specified in paragraph...) Definitions. Hydroponic tomatoes means tomatoes grown in solution without soil; greenhouse tomatoes means...

Improving the packing density of calcium phosphate coating on a magnesium alloy for enhanced degradation resistance.

PubMed

Kannan, M Bobby

2013-05-01

In this study, an attempt was made to improve the packing density of calcium phosphate (CaP) coating on a magnesium alloy by tailoring the coating solution for enhanced degradation resistance of the alloy for implant applications. An organic solvent, ethanol, was added to the coating solution to decrease the conductivity of the coating solution so that hydrogen bubble formation/bursting reduces during the CaP coating process. Experimental results confirmed that ethanol addition to the coating solution reduces the conductivity of the solution and also decreases the hydrogen evolution/bubble bursting. In vitro electrochemical experiments, that is, electrochemical impedance spectroscopy (EIS) and potentiodynamic polarization showed that CaP coating produced in 30% (v/v) ethanol containing coating solution (3E) exhibits significantly higher degradation resistance (i.e., ~50% higher polarization resistance and ~60% lower corrosion current) than the aqueous solution coating. Scanning electron microscope (SEM) analysis of the coatings revealed that the packing of 3E coating was denser than that of aqueous coating, which can be attributed to the lower hydrogen evolution in the former than in the latter. Further increase in the ethanol content in the coating solution was not beneficial; in fact, the coating produced in 70% (v/v) ethanol containing solution (7E) showed degradation resistance much inferior to that of the aqueous coating, which is due to low thickness of 7E coating. Copyright © 2012 Wiley Periodicals, Inc.

Adsorption of polypropylene from dilute solutions on a zeolite column packing.

PubMed

Macko, Tibor; Pasch, Harald; Denayer, Joeri F

2005-01-01

Faujasite type zeolite CBV-780 was tested as adsorbent for isotactic polypropylene by liquid chromatography. When cyclohexane, cyclohexanol, n-decanol, n-dodecanol, diphenylmethane, or methylcyclohexane was used as mobile phase, polypropylene was fully or partially retained within the column packing. This is the first series of sorbent-solvent systems to show a pronounced retention of isotactic polypropylene. According to the hydrodynamic volumes of polypropylene in solution, macromolecules of polypropylene should be fully excluded from the pore volume of the sorbent. Sizes of polypropylene macromolecules in linear conformations, however, correlate with the pore size of the column packing used. It is presumed that the polypropylene chains partially penetrate into the pores and are retained due to the high adsorption potential in the narrow pores.

An iterative bidirectional heuristic placement algorithm for solving the two-dimensional knapsack packing problem

NASA Astrophysics Data System (ADS)

Shiangjen, Kanokwatt; Chaijaruwanich, Jeerayut; Srisujjalertwaja, Wijak; Unachak, Prakarn; Somhom, Samerkae

2018-02-01

This article presents an efficient heuristic placement algorithm, namely, a bidirectional heuristic placement, for solving the two-dimensional rectangular knapsack packing problem. The heuristic demonstrates ways to maximize space utilization by fitting the appropriate rectangle from both sides of the wall of the current residual space layer by layer. The iterative local search along with a shift strategy is developed and applied to the heuristic to balance the exploitation and exploration tasks in the solution space without the tuning of any parameters. The experimental results on many scales of packing problems show that this approach can produce high-quality solutions for most of the benchmark datasets, especially for large-scale problems, within a reasonable duration of computational time.

Packing interface energetics in different crystal forms of the λ Cro dimer.

PubMed

Ahlstrom, Logan S; Miyashita, Osamu

2014-07-01

Variation among crystal structures of the λ Cro dimer highlights conformational flexibility. The structures range from a wild type closed to a mutant fully open conformation, but it is unclear if each represents a stable solution state or if one may be the result of crystal packing. Here we use molecular dynamics (MD) simulation to investigate the energetics of crystal packing interfaces and the influence of site-directed mutagenesis on them in order to examine the effect of crystal packing on wild type and mutant Cro dimer conformation. Replica exchange MD of mutant Cro in solution shows that the observed conformational differences between the wild type and mutant protein are not the direct consequence of mutation. Instead, simulation of Cro in different crystal environments reveals that mutation affects the stability of crystal forms. Molecular Mechanics Poisson-Boltzmann Surface Area binding energy calculations reveal the detailed energetics of packing interfaces. Packing interfaces can have diverse properties in strength, energetic components, and some are stronger than the biological dimer interface. Further analysis shows that mutation can strengthen packing interfaces by as much as ∼5 kcal/mol in either crystal environment. Thus, in the case of Cro, mutation provides an additional energetic contribution during crystal formation that may stabilize a fully open higher energy state. Moreover, the effect of mutation in the lattice can extend to packing interfaces not involving mutation sites. Our results provide insight into possible models for the effect of crystallization on Cro conformational dynamics and emphasize careful consideration of protein crystal structures. © 2013 Wiley Periodicals, Inc.

Packing Interface Energetics in Different Crystal Forms of the λ Cro Dimer

PubMed Central

Ahlstrom, Logan S.; Miyashita, Osamu

2014-01-01

Variation among crystal structures of the λ Cro dimer highlights conformational flexibility. The structures range from a wild type closed to a mutant fully open conformation, but it is unclear if each represents a stable solution state or if one may be the result of crystal packing. Here we use molecular dynamics (MD) simulation to investigate the energetics of crystal packing interfaces and the influence of site-directed mutagenesis on them, in order to examine the effect of crystal packing on wild type and mutant Cro dimer conformation. Replica exchange MD of mutant Cro in solution shows that the observed conformational differences between the wild type and mutant protein are not the direct consequence of mutation. Instead, simulation of Cro in different crystal environments reveals that mutation affects the stability of crystal forms. Molecular Mechanics Poisson-Boltzmann Surface Area binding energy calculations reveal the detailed energetics of packing interfaces. Packing interfaces can have diverse properties in strength, energetic components, and some are stronger than the biological dimer interface. Further analysis shows that mutation can strengthen packing interfaces by as much as ~5 kcal/mol in either crystal environment. Thus, in the case of Cro, mutation provides an additional energetic contribution during crystal formation that may stabilize a fully open higher energy state. Moreover, the effect of mutation in the lattice can extend to packing interfaces not involving mutation sites. Our results provide insight into possible models for the effect of crystallization on Cro conformational dynamics and emphasize careful consideration of protein crystal structures. PMID:24218107

Comparative photoluminescence study of close-packed and colloidal InP/ZnS quantum dots

NASA Astrophysics Data System (ADS)

Thuy, Ung Thi Dieu; Thuy, Pham Thi; Liem, Nguyen Quang; Li, Liang; Reiss, Peter

2010-02-01

This letter reports on the comparative photoluminescence study of InP/ZnS quantum dots in the close-packed solid state and in colloidal solution. The steady-state photoluminescence spectrum of the close-packed InP/ZnS quantum dots peaks at a longer wavelength than that of the colloidal ones. Time-resolved photoluminescence shows that the close-packed quantum dots possess a shorter luminescence decay time and strongly increased spectral shift with the time delayed from the excitation moment in comparison with the colloidal ones. The observed behavior is discussed on the basis of energy transfer enabled by the short interparticle distance between the close-packed quantum dots.

Efficiency for unretained solutes in packed column supercritical fluid chromatography. I. Theory for isothermal conditions and correction factors for carbon dioxide.

PubMed

Poe, Donald P

2005-06-17

A general theory for efficiency of nonuniform columns with compressible mobile phase fluids is applied to the elution of an unretained solute in packed-column supercritical fluid chromatography (pSFC). The theoretical apparent plate height under isothermal conditions is given by the Knox equation multiplied by a compressibility correction factor f1, which is equal to the ratio of the temporal-to-spatial average densities of the mobile phase. If isothermal conditions are maintained, large pressure drops in pSFC should not result in excessive efficiency losses for elution of unretained solutes.

Axial dispersion of non-Newtonian fluids in porous media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Payne, L.W.; Parker, H.W.

1973-01-01

Mixing of liquids in the direction parallel to flow through porous media, usually termed axial dispersion, is a significant factor in regard to chromatography columns, packed bed reactors, and miscible displacement methods for the recovery of petroleum. For this reason, axial dispersion rates have frequently been investigated, but practically investigations have employed low viscosity Newtonian fluid such as water and light hydrocarbons. In this research, pseudoplastic fluids having a power law exponent as low as 0.6 were employed at very low flow rates to facilitate the observation of non-Newtonian effects on axial dispersion rates. The flow system used in thismore » investigation was a vertically oriented glass bead pack. Glass beads of 470 mu nominal size were packed into the flow cell while vibrating the cell. The studies were conducted by displacing an undyed solution from the bead pack with a dyed solution at a constant rate aor visa versa. Vertical, downward flow was used in all displacements. (10 refs.)« less

Folate content in fresh-cut vegetable packed products by 96-well microtiter plate microbiological assay.

PubMed

Fajardo, Violeta; Alonso-Aperte, Elena; Varela-Moreiras, Gregorio

2015-02-15

Ready-to-eat foods have nowadays become a significant portion of the diet. Accordingly, nutritional composition of these food categories should be well-known, in particular its folate content. However, there is a broad lack of folate data in food composition tables and databases. A total of 21 fresh-cut vegetable and fruit packed products were analysed for total folate (TF) content using a validated method that relies on the folate-dependent growth of chloramphenicol-resistant Lactobacillus casei subspecies rhamnosus (NCIMB 10463). Mean TF content ranged from 10.0 to 140.9μg/100g for the different matrices on a fresh weight basis. Higher TF quantity, 140.9-70.1μg/100g, was found in spinach, rocket, watercress, chard and broccoli. Significant differences were observed between available data for fresh vegetables and fruits from food composition tables or databases and the analysed results for fresh-cut packed products. Supplied data support the potential of folate-rich fresh-cut ready-to-eat vegetables to increase folate intake significantly. Copyright © 2014 Elsevier Ltd. All rights reserved.

Ionic micelles and aromatic additives: a closer look at the molecular packing parameter.

PubMed

Lutz-Bueno, Viviane; Isabettini, Stéphane; Walker, Franziska; Kuster, Simon; Liebi, Marianne; Fischer, Peter

2017-08-16

Wormlike micellar aggregates formed from the mixture of ionic surfactants with aromatic additives result in solutions with impressive viscoelastic properties. These properties are of high interest for numerous industrial applications and are often used as model systems for soft matter physics. However, robust and simple models for tailoring the viscoelastic response of the solution based on the molecular structure of the employed additive are required to fully exploit the potential of these systems. We address this shortcoming with a modified packing parameter based model, considering the additive-surfactant pair. The role of charge neutralization on anisotropic micellar growth was investigated with derivatives of sodium salicylate. The impact of the additives on the morphology of the micellar aggregates is explained from the molecular level to the macroscopic viscoelasticity. Changes in the micelle's volume, headgroup area and additive structure are explored to redefine the packing parameter. Uncharged additives penetrated deeper into the hydrophobic region of the micelle, whilst charged additives remained trapped in the polar region, as revealed by a combination of 1 H-NMR, SAXS and rheological measurements. A deeper penetration of the additives densified the hydrophobic core of the micelle and induced anisotropic growth by increasing the effective volume of the additive-surfactant pair. This phenomenon largely influenced the viscosity of the solutions. Partially penetrating additives reduced the electrostatic repulsions between surfactant headgroups and neighboring micelles. The resulting increased network density governed the elasticity of the solutions. Considering a packing parameter composed of the additive-surfactant pair proved to be a facile means of engineering the viscoelastic response of surfactant solutions. The self-assembly of the wormlike micellar aggregates could be tailored to desired morphologies resulting in a specific and predictable rheological response.

Calculations of and evidence for chain packing stress in inverse lyotropic bicontinuous cubic phases.

PubMed

Shearman, Gemma C; Khoo, Bee J; Motherwell, Mary-Lynn; Brakke, Kenneth A; Ces, Oscar; Conn, Charlotte E; Seddon, John M; Templer, Richard H

2007-06-19

Inverse bicontinuous cubic lyotropic phases are a complex solution to the dilemma faced by all self-assembled water-amphiphile systems: how to satisfy the incompatible requirements for uniform interfacial curvature and uniform molecular packing. The solution reached in this case is for the water-amphiphile interfaces to deform hyperbolically onto triply periodic minimal surfaces. We have previously suggested that although the molecular packing in these structures is rather uniform the relative phase behavior of the gyroid, double diamond, and primitive inverse bicontinuous cubic phases can be understood in terms of subtle differences in packing frustration. In this work, we have calculated the packing frustration for these cubics under the constraint that their interfaces have constant mean curvature. We find that the relative packing stress does indeed differ between phases. The gyroid cubic has the least packing stress, and at low water volume fraction, the primitive cubic has the greatest packing stress. However, at very high water volume fraction, the double diamond cubic becomes the structure with the greatest packing stress. We have tested the model in two ways. For a system with a double diamond cubic phase in excess water, the addition of a hydrophobe may release packing frustration and preferentially stabilize the primitive cubic, since this has previously been shown to have lower curvature elastic energy. We have confirmed this prediction by adding the long chain alkane tricosane to 1-monoolein in excess water. The model also predicts that if one were able to hydrate the double diamond cubic to high water volume fractions, one should destabilize the phase with respect to the primitive cubic. We have found that such highly swollen metastable bicontinuous cubic phases can be formed within onion vesicles. Data from monoelaidin in excess water display a well-defined transition, with the primitive cubic appearing above a water volume fraction of 0.75. Both of these results lend support to the proposition that differences in the packing frustration between inverse bicontinuous cubic phases play a pivotal role in their relative phase stability.

Crystallographic parameters of compounds and solid solutions in binary systems Cu-Pt and Ga-Pt

NASA Astrophysics Data System (ADS)

Potekaev, Alexandr; Probova, Svetlana; Klopotov, Anatolii; Vlasov, Viktor; Markov, Tatiana; Klopotov, Vladimir

2015-10-01

The study establishes that the packing index in compounds of the system Cu-Pt is close to the value 0.74 against a slight deviation from the Zen law of atomic volumes. The compounds in the system Ga-Pt have the highest values of the packing index in the range of the equiatomic composition, which greatly exceed ψ for close-packed structures based on FCC and HCP lattices for compounds made of the same kind of atoms. A correlation between singular points on the phase diagram of the system Ga-Pt and high values of the packing index in compounds is established.

Ice pack heat sink subsystem, phase 2. [astronaut life support cooling system

NASA Technical Reports Server (NTRS)

Roebelen, G. J., Jr.; Kellner, J. D.

1975-01-01

The report describes the design, development, fabrication, and test at one gravity of a prototype ice pack heat sink subsystem to be used eventually for astronaut cooling during manned space missions; the investigation of thermal storage material with the objective of uncovering materials with heats of fusion and/or solution in the range of 300 Btu/lb (700 kilojoules/kilogram); and the planned procedure for implementing an ice pack heat sink subsystem flight experiment. In normal use, excess heat in the liquid cooling garment (LCG) coolant is transferred to a reusable/regenerable ice pack heat sink. For emergency operation, or for extension of extravehicular activity mission time after all the ice has melted, water from the ice pack is boiled to vacuum, thereby continuing to remove heat from the LCG coolant. This subsystem incorporates a quick disconnect thermal interface between the ice pack heat sink and the subsystem heat exchanger.

Studies on the biosorption of hexavalent chromium from aqueous solutions by using boiled mucilaginous seeds of Ocimum americanum.

PubMed

Lakshmanraj, Levankumar; Gurusamy, Ayyanar; Gobinath, M B; Chandramohan, R

2009-09-30

Investigations were carried out to study the chromium removal efficiency of boiled mucilaginous seeds of Ocimum americanum. Batch experiments were conducted to study the biosorption kinetics of chromium removal for the concentrations 10mg/L, 20mg/L and 40 mg/L of chromium(VI) solutions. The biosorbent dosage was 8 g dry seeds/L. The toxic hexavalent chromium was reduced to less toxic chromium(III) in the presence of seeds and the reduced chromium was adsorbed on the mucilage of seeds. Both the chromium(VI) and chromium(III) were present in the aqueous phase. The optimum chromium reduction and adsorption was observed at the pH value 1.5. The biosorption data fitted well with Langmuir isotherm. The biosorption capacity calculated from the Langmuir isotherm was q=32 mg chromium(III)/g of dry seeds. The continuous column study was also carried out at the flow rate of 27 mL/h for the initial concentration 25mg/L of chromium(VI) feed solution using a packed bed column filled with boiled mucilaginous seeds. The maximum reduction of chromium(VI) to chromium(III) in the packed bed was 80%. The percentage removal of reduced chromium from the aqueous solution was 56.25%. This value was maintained constant until 0.52 L of chromium(VI) solution was pumped through the packed bed column. Thus the naturally immobilized polysaccharides on the seeds mimic the microbial polysaccharides in terms of their ability to adsorb heavy metals with an added advantage of making the immobilization step unnecessary which is a major cost factor of the metal removal process when microbial exopolysaccharides used. The uniform size and spherical shape of swollen seeds give an additional advantage to use them in a packed bed column for continuous removal of chromium(VI) from aqueous solutions.

Dose Reduction Study in Vaginal Balloon Packing Filled With Contrast for HDR Brachytherapy Treatment;HDR; Uterine cervix cancer; Vaginal balloon packing; Contrast; Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Saini, Amarjit S.; Zhang, Geoffrey G., E-mail: geoffrey.zhang@moffitt.org; Finkelstein, Steven E.

2011-07-15

Purpose: Vaginal balloon packing is a means to displace organs at risk during high dose rate brachytherapy of the uterine cervix. We tested the hypothesis that contrast-filled vaginal balloon packing reduces radiation dose to organs at risk, such as the bladder and rectum, in comparison to water- or air-filled balloons. Methods and Materials: In a phantom study, semispherical vaginal packing balloons were filled with air, saline solution, and contrast agents. A high dose rate iridium-192 source was placed on the anterior surface of the balloon, and the diode detector was placed on the posterior surface. Dose ratios were taken withmore » each material in the balloon. Monte Carlo (MC) simulations, by use of the MC computer program DOSXYZnrc, were performed to study dose reduction vs. balloon size and contrast material, including commercially available iodine- and gadolinium-based contrast agents. Results: Measured dose ratios on the phantom with the balloon radius of 3.4 cm were 0.922 {+-} 0.002 for contrast/saline solution and 0.808 {+-} 0.001 for contrast/air. The corresponding ratios by MC simulations were 0.895 {+-} 0.010 and 0.781 {+-} 0.010. The iodine concentration in the contrast was 23.3% by weight. The dose reduction of contrast-filled balloon ranges from 6% to 15% compared with water-filled balloon and 11% to 26% compared with air-filled balloon, with a balloon size range between 1.4 and 3.8 cm, and iodine concentration in contrast of 24.9%. The dose reduction was proportional to the contrast agent concentration. The gadolinium-based contrast agents showed less dose reduction because of much lower concentrations in their solutions. Conclusions: The dose to the posterior wall of the bladder and the anterior wall of the rectum can be reduced if the vaginal balloon is filled with contrast agent in comparison to vaginal balloons filled with saline solution or air.« less

Standard atomic volumes in double-stranded DNA and packing in protein–DNA interfaces

PubMed Central

Nadassy, Katalin; Tomás-Oliveira, Isabel; Alberts, Ian; Janin, Joël; Wodak, Shoshana J.

2001-01-01

Standard volumes for atoms in double-stranded B-DNA are derived using high resolution crystal structures from the Nucleic Acid Database (NDB) and compared with corresponding values derived from crystal structures of small organic compounds in the Cambridge Structural Database (CSD). Two different methods are used to compute these volumes: the classical Voronoi method, which does not depend on the size of atoms, and the related Radical Planes method which does. Results show that atomic groups buried in the interior of double-stranded DNA are, on average, more tightly packed than in related small molecules in the CSD. The packing efficiency of DNA atoms at the interfaces of 25 high resolution protein–DNA complexes is determined by computing the ratios between the volumes of interfacial DNA atoms and the corresponding standard volumes. These ratios are found to be close to unity, indicating that the DNA atoms at protein–DNA interfaces are as closely packed as in crystals of B-DNA. Analogous volume ratios, computed for buried protein atoms, are also near unity, confirming our earlier conclusions that the packing efficiency of these atoms is similar to that in the protein interior. In addition, we examine the number, volume and solvent occupation of cavities located at the protein–DNA interfaces and compared them with those in the protein interior. Cavities are found to be ubiquitous in the interfaces as well as inside the protein moieties. The frequency of solvent occupation of cavities is however higher in the interfaces, indicating that those are more hydrated than protein interiors. Lastly, we compare our results with those obtained using two different measures of shape complementarity of the analysed interfaces, and find that the correlation between our volume ratios and these measures, as well as between the measures themselves, is weak. Our results indicate that a tightly packed environment made up of DNA, protein and solvent atoms plays a significant role in protein–DNA recognition. PMID:11504874

Compaction of granular materials: numerical simulation of "elastic" compression and pressure solution creep

NASA Astrophysics Data System (ADS)

Bernabe, Y.; Evans, J.

2012-12-01

In a previous work we investigated stress transfer in a pair of grain contacts undergoing pressure solution (PS) creep, showed that stress transfer resulted in a significant decrease in overall strain rate, and concluded that PS creep rates of a randomly packed granular aggregate should be affected by packing evolution and the formation of new contacts during creep. To test these conclusions further, we are numerically simulating the "elastic" hydrostatic compression of a random pack of spheres, using a numerical method similar to that of Cundall and Strack [1979]. We assumed that the spheres were frictionless (i.e., spheres in contact only interacted through normal forces) and that the contact forces obeyed the non-linear Digby [1981] model. In order to determine the PS creep compression of the sphere pack subjected to a constant confining pressure pc, we calculated the thicknesses of the dissolved layers at each individual grain contact during a small time increment and, from these, the overall deformation of the sphere pack. We used an analytical expression discussed in our previous paper and originating from Lehner and Leroy [2004]. During these simulations, we also computed the mean coordination number of the grain contact z, the effective bulk modulus K of the sphere pack and others parameters characterizing the topological and mechanical properties of the sphere assembly. Our results show strong non-linear increase of z and K with pc during "elastic" compression and, with time, during PS creep. The packing rearrangements associated with PS creep produce complex time dependence of the overall deformation ɛ(t). We observed a regular transition from ɛ∝t^3/4 at early times (i.e., less than 0.1 years) and ɛ∝t^1/3 at late times (i.e., more than 1000 years). Cundall, P.A., and O.D.L. Strack (1979), A discrete numerical model for granular assemblies, Geotech., 29, 47-65. Digby, P.J. (1981), The effective elastic moduli of porous rocks, J. Appl. Mech., 48, 803-808. Lehner, F.K., and Y. Leroy (2004), Sandstone compaction by intergranular pressure solution, In Mech. Fluid Saturated Rocks (eds. Y. Guéguen and M. Boutéca), Elsevier.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Singleton, Jr., Robert; Israel, Daniel M.; Doebling, Scott William

For code verification, one compares the code output against known exact solutions. There are many standard test problems used in this capacity, such as the Noh and Sedov problems. ExactPack is a utility that integrates many of these exact solution codes into a common API (application program interface), and can be used as a stand-alone code or as a python package. ExactPack consists of python driver scripts that access a library of exact solutions written in Fortran or Python. The spatial profiles of the relevant physical quantities, such as the density, fluid velocity, sound speed, or internal energy, are returnedmore » at a time specified by the user. The solution profiles can be viewed and examined by a command line interface or a graphical user interface, and a number of analysis tools and unit tests are also provided. We have documented the physics of each problem in the solution library, and provided complete documentation on how to extend the library to include additional exact solutions. ExactPack’s code architecture makes it easy to extend the solution-code library to include additional exact solutions in a robust, reliable, and maintainable manner.« less

Removing adsorbed heavy metal ions from sand surfaces via applying interfacial properties of rhamnolipid.

PubMed

Haryanto, Bode; Chang, Chien-Hsiang

2015-01-01

In this study, the interfacial properties of biosurfactant rhamnolipid were investigated and were applied to remove adsorbed heavy metal ions from sand surfaces with flushing operations. The surface tension-lowering activity, micelle charge characteristic, and foaming ability of rhamnolipid were identified first. For rhamnolipid in water, the negatively charged characteristic of micelles or aggregates was confirmed and the foaming ability at concentrations higher than 40 mg/L was evaluated. By using the rhamnolipid solutions in a batch washing approach, the potential of applying the interfacial properties of rhamnolipid to remove adsorbed copper ions from sand surfaces was then demonstrated. In rhamnolipid solution flushing operations for sand-packed medium, higher efficiency was found for the removal of adsorbed copper ions with residual type than with inner-sphere interaction type, implying the important role of interaction type between the copper ion and the sand surface in the removal efficiency. In addition, the channeling effect of rhamnolipid solution flow in the sand-packed medium was clearly observed in the solution flushing operations and was responsible for the low removal efficiency with low contact areas between solution and sand. By using rhamnolipid solution with foam to flush the sand-packed medium, one could find that the channeling effect of the solution flow was reduced and became less pronounced with the increase in the rhamnolipid concentration, or with the enhanced foaming ability. With the reduced channeling effect in the flushing operations, the removal efficiency for adsorbed copper ions was significantly improved. The results suggested that the foam-enhanced rhamnolipid solution flushing operation was efficient in terms of surfactant usage and operation time.

Packing a Box with Bricks.

ERIC Educational Resources Information Center

Jepsen, Charles H.

1991-01-01

Presented are solutions to variations of a combinatorics problem from a recent International Mathematics Olympiad. In particular, the matrix algebra solution illustrates an interaction among the undergraduate areas of geometry, combinatorics, linear algebra, and group theory. (JJK)

The crystal chemistry of inorganic metal borohydrides and their relation to metal oxides.

PubMed

Černý, Radovan; Schouwink, Pascal

2015-12-01

The crystal structures of inorganic homoleptic metal borohydrides are analysed with respect to their structural prototypes found amongst metal oxides in the inorganic databases such as Pearson's Crystal Data [Villars & Cenzual (2015). Pearson's Crystal Data. Crystal Structure Database for Inorganic Compounds, Release 2014/2015, ASM International, Materials Park, Ohio, USA]. The coordination polyhedra around the cations and the borohydride anion are determined, and constitute the basis of the structural systematics underlying metal borohydride chemistry in various frameworks and variants of ionic packing, including complex anions and the packing of neutral molecules in the crystal. Underlying nets are determined by topology analysis using the program TOPOS [Blatov (2006). IUCr CompComm. Newsl. 7, 4-38]. It is found that the Pauling rules for ionic crystals apply to all non-molecular borohydride crystal structures, and that the latter can often be derived by simple deformation of the close-packed anionic lattices c.c.p. and h.c.p., by partially removing anions and filling tetrahedral or octahedral sites. The deviation from an ideal close packing is facilitated in metal borohydrides with respect to the oxide due to geometrical and electronic considerations of the BH4(-) anion (tetrahedral shape, polarizability). This review on crystal chemistry of borohydrides and their similarity to oxides is a contribution which should serve materials engineers as a roadmap to design new materials, synthetic chemists in their search for promising compounds to be prepared, and materials scientists in understanding the properties of novel materials.

Universal Non-Debye Scaling in the Density of States of Amorphous Solids.

PubMed

Charbonneau, Patrick; Corwin, Eric I; Parisi, Giorgio; Poncet, Alexis; Zamponi, Francesco

2016-07-22

At the jamming transition, amorphous packings are known to display anomalous vibrational modes with a density of states (DOS) that remains constant at low frequency. The scaling of the DOS at higher packing fractions remains, however, unclear. One might expect to find a simple Debye scaling, but recent results from effective medium theory and the exact solution of mean-field models both predict an anomalous, non-Debye scaling. Being mean-field in nature, however, these solutions are only strictly valid in the limit of infinite spatial dimension, and it is unclear what value they have for finite-dimensional systems. Here, we study packings of soft spheres in dimensions 3 through 7 and find, away from jamming, a universal non-Debye scaling of the DOS that is consistent with the mean-field predictions. We also consider how the soft mode participation ratio evolves as dimension increases.

Evaporation of NaCl solution from porous media with mixed wettability

NASA Astrophysics Data System (ADS)

Bergstad, Mina; Shokri, Nima

2016-05-01

Evaporation of saline water from porous media is ubiquitous in many processes including soil salinization, crop production, and CO2 sequestration in deep saline acquirer. It is controlled by the transport properties of porous media, atmospheric conditions, and properties of the evaporating saline solution. In the present study, the effects of mixed wettability conditions on the general dynamics of water evaporation from porous media saturated with NaCl solution were investigated. To do so, we conducted a comprehensive series of evaporation experiments using sand mixtures containing different fractions of hydrophobic grains saturated with NaCl solutions. Our results showed that increasing fraction of hydrophobic grains in the mixed wettability sand pack had minor impact on the evaporative mass losses due to the presence of salt whose precipitation patterns were significantly influenced by the mixed wettability condition. Through macroscale and microscale investigations, we found formation of patchy efflorescence in the case of mixed wettability sand pack as opposed to crusty efflorescence in the case of completely hydrophilic porous media. Furthermore, the presence of salty water and hydrophobic grains in the sand pack significantly influenced the general dynamics and morphology of the receding drying front. Our results extend the understanding of the saline water evaporation from porous media with direct applications to various hydrological and engineering processes.

Too Much Teaching, Not Enough Learning: What Is the Solution?

ERIC Educational Resources Information Center

Lujan, Heidi L.; DiCarlo, Stephen E.

2006-01-01

The curriculum is packed with so much content that teachers resort to telling students what they know and students simply commit facts to memory. The packed curriculum leaves little time for students to acquire a deep understanding of the subject or to develop life-long skills such as critical thinking, problem solving, and communication. However,…

DIRECT SOLUTIONS OF THE MAXWELL EQUATIONS EXPLAIN OPPOSITION PHENOMENA OBSERVED FOR HIGH-ALBEDO SOLAR SYSTEM OBJECTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mishchenko, Michael I.; Liu Li; Dlugach, Janna M.

2009-11-10

Several spectacular backscattering effects observed for particulate planetary surfaces have been interpreted in terms of the effect of weak localization (WL) of electromagnetic waves. However, the interference concept of WL explicitly relies on the notion of phase of an electromagnetic wave and is strictly applicable only when particles forming the surface are widely separated. Therefore, one needs a definitive quantitative proof of the WL nature of specific optical effects observed for densely packed particulate media. We use numerically exact computer solutions of the Maxwell equations to simulate electromagnetic scattering by realistic models consisting of large numbers of randomly positioned, denselymore » packed particles. By increasing the particle packing density from zero to approx40%, we track the onset and evolution of the full suite of backscattering optical effects predicted by the low-density theory of WL, including the brightness and polarization opposition effects (BOE and POE). We find that all manifestations of WL, except the circular polarization ratio and POE, are remarkably immune to packing-density effects. Even POE can survive packing densities typical of planetary regolith surfaces. Our numerical data coupled with the results of unique observations at near-backscattering geometries demonstrate that the BOE and POE detected simultaneously for high-albedo solar system objects are caused by the effect of WL.« less

Model study of enhanced oil recovery by flooding with aqueous surfactant solution and comparison with theory.

PubMed

Fletcher, Paul D I; Savory, Luke D; Woods, Freya; Clarke, Andrew; Howe, Andrew M

2015-03-17

With the aim of elucidating the details of enhanced oil recovery by surfactant solution flooding, we have determined the detailed behavior of model systems consisting of a packed column of calcium carbonate particles as the porous rock, n-decane as the trapped oil, and aqueous solutions of the anionic surfactant sodium bis(2-ethylhexyl) sulfosuccinate (AOT). The AOT concentration was varied from zero to above the critical aggregation concentration (cac). The salt content of the aqueous solutions was varied to give systems of widely different, post-cac oil-water interfacial tensions. The systems were characterized in detail by measuring the permeability behavior of the packed columns, the adsorption isotherms of AOT from the water to the oil-water interface and to the water-calcium carbonate interface, and oil-water-calcium carbonate contact angles. Measurements of the percent oil recovery by pumping surfactant solutions into calcium carbonate-packed columns initially filled with oil were analyzed in terms of the characterization results. We show that the measured contact angles as a function of AOT concentration are in reasonable agreement with those calculated from values of the surface energy of the calcium carbonate-air surface plus the measured adsorption isotherms. Surfactant adsorption onto the calcium carbonate-water interface causes depletion of its aqueous-phase concentration, and we derive equations which enable the concentration of nonadsorbed surfactant within the packed column to be estimated from measured parameters. The percent oil recovery as a function of the surfactant concentration is determined solely by the oil-water-calcium carbonate contact angle for nonadsorbed surfactant concentrations less than the cac. For surfactant concentrations greater than the cac, additional oil removal occurs by a combination of solubilization and emulsification plus oil mobilization due to the low oil-water interfacial tension and a pumping pressure increase.

AFM Studies of Salt Concentration Effects on the (110) Surface Structure of Tetragonal Lysozyme Crystals

NASA Technical Reports Server (NTRS)

Pusey, Marc Lee; Gorti, Sridhar; Forsythe, Elizabeth; Konnert, John

2002-01-01

Previous high resolution AFM studies of the (110) surface of tetragonal chicken egg white lysozyme crystals had shown that only one of two possible molecular surfaces is present, those constituting the completed 43 helices. These suggested that the crystal growth process was by the solution-phase assembly of the growth units, which then attach to the surface. However, the best fit for the imaged surfaces, vs. those predicted based upon the bulk crystallographic coordinates, were obtained when the packing about the 43 helices was "tightened up", while maintaining the underlying crystallographic unit cell spacing. This results in a widening of the gap between adjacent helices, and the top- most layer(s) may no longer be in contact. We postulated that the tightened packing about the helices is a result of the high salt concentrations in the bulk solution, used to crystallize the protein, driving hydrophobic interactions. Once the crystal surface is sufficiently buried by subsequent growth layers the ratio of salt to protein molecules decreases and the helices relax to their bulk crystallographic coordinates. The crystal surface helix structure is thus a reflection of the solution structure, and the tightness of the packing about the 43 helices would be a function of the bulk salt concentration. AFM images of the (110) surface of tetragonal lysozyme crystals grown under low (2%) and high (5%) NaCl concentrations reveal differences in the packing about the 43 helices consistent with the above proposal.

A Simple Heat of Crystallization Experiment.

ERIC Educational Resources Information Center

De Nevers, Noel

1991-01-01

A demonstration used in a heat and material balances class that explains how a reusable heat pack works is described. An initial homework problem or exam question is provided with its solution. A discussion of the solution is included. (KR)

New manufacturing method for Fe-Si magnetic powders using modified pack-cementation process

NASA Astrophysics Data System (ADS)

Byun, Ji Young; Kim, Jang Won; Han, Jeong Whan; Jang, Pyungwoo

2013-03-01

This paper describes a new method for making Fe-Si magnetic powders using a pack-cementation process. It was found that Fe-Si alloy powders were formed by a reaction of the pack mixture of Fe, Si, NaF, and Al2O3 powders at 900 °C for 24 h under a hydrogen atmosphere. Separation of the Fe-Si alloy powders was dependent on the particle size of the Fe powders in the pack. For small Fe powders, magnetic separation in a medium of strong alkali solution was recommended. But, for relatively larger Fe powders, the Fe-Si alloy powders were easily separated from Al2O3 powders using a magnet in air atmosphere. The Si content in the Fe-Si magnetic powders were easily controlled by changing the weight ratio of Si to (Si+Fe) in the pack.

CO2 as a smart gelator for Pluronic aqueous solutions.

PubMed

Liu, Chengcheng; Mei, Qingqing; Zhang, Jianling; Kang, Xinchen; Peng, Li; Han, Buxing; Xue, Zhimin; Sang, Xinxin; Yang, Xiaogan; Wu, Zhonghua; Li, Zhihong; Mo, Guang

2014-11-25

It was found that CO2 could induce the gelation of Pluronic aqueous solutions, during which the microstructure of the solution transforms from randomly dispersed spherical micelles to cubic close packed micelles. The gelation switched by compressed CO2 has many advantages and can be applied in the synthesis of porous materials.

Development Of ABEC Column For Separation Of Tc-99 From Northstar Dissolved Target Solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stepinski, Dominique C.; Bennett, Megan E.; Naik, Seema R.

Batch and column breakthrough experiments were performed to determine isotherms and mass-transfer parameters for adsorption of Tc on aqueous biphasic extraction chromatographic (ABEC) sorbent in two solutions: 200 g/L Mo, 5.1 M K +, 1 M OH -, and 0.1 M NO 3 - (Solution A) and 200 g/L Mo, 9.3 M K +, 5 M OH -, and 0.1 M NO 3 - (Solution B). Good agreement was found between the isotherm values obtained by batch and column breakthrough studies for both Solutions A and B. Potassium-pertechnetate intra-particle diffusivity on ABEC resin was estimated by VERSE simulations, and goodmore » agreement was found among a series of column-breakthrough experiments at varying flow velocities, column sizes, and technetium concentrations. However, testing of 10 cc cartridges provided by NorthStar with Solutions A and B did not give satisfactory results, as significant Tc breakthrough was observed and ABEC cartridge performance varied widely among experiments. These different experimental results are believed to be due to inconsistent preparation of the ABEC resin prior to packing and/or inconsistent packing.« less

X-Ray Absorption Spectroscopy of Electrochemically Generated Species

DTIC Science & Technology

1993-02-01

that is a modification of our previously reported design (17) with reticulated vitreous carbon (RVC) as the working electrode. A peristaltic pump...and a flowing analyte stream. A packed carbon -bed bulk electrolysis cell generates the desired metal oxidation state. Completa oxidation and...packed carbon -bed bulk electrolysis cell generates the desired metal oxidation state. The system consists of a closed loop of electrolyte solution

Encapsulation Efficiency and Micellar Structure of Solute-Carrying Block Copolymer Nanoparticles

PubMed Central

Woodhead, Jeffrey L.; Hall, Carol K.

2011-01-01

We use discontinuous molecular dynamics (DMD) computer simulation to investigate the encapsulation efficiency and micellar structure of solute-carrying block copolymer nanoparticles as a function of packing fraction, polymer volume fraction, solute mole fraction, and the interaction parameters between the hydrophobic head blocks and between the head and the solute. The encapsulation efficiency increases with increasing polymer volume fraction and packing fraction but decreases with increasing head-head interaction strength. The latter is due to an increased tendency for the solute to remain on the micelle surface. We compared two different nanoparticle assembly methods, one in which the solute and copolymer co-associate and the other in which the copolymer micelle is formed before the introduction of solute. The assembly method does not affect the encapsulation efficiency but does affect the solute uptake kinetics. Both head-solute interaction strength and head-head interaction strength affect the density profile of the micelles; increases in the former cause the solute to distribute more evenly throughout the micelle, while increases in the latter cause the solute to concentrate further from the center of the micelle. We explain our results in the context of a model of drug insertion into micelles formulated by Kumar and Prud’homme; as conditions become more conducive to micelle formation, a stronger energy barrier to solute insertion forms which in turn decreases the encapsulation efficiency of the system. PMID:21918582

Self-assembly of (perfluoroalkyl)alkanes on a substrate surface from solutions in supercritical carbon dioxide.

PubMed

Gallyamov, Marat O; Mourran, Ahmed; Tartsch, Bernd; Vinokur, Rostislav A; Nikitin, Lev N; Khokhlov, Alexei R; Schaumburg, Kjeld; Möller, Martin

2006-06-14

Toroidal self-assembled structures of perfluorododecylnonadecane and perfluorotetradecyloctadecane have been deposited on mica and highly oriented pyrolytic graphite surfaces by exposure of the substrates to solutions of the (pefluoroalkyl)alkanes in supercritical carbon dioxide. Scanning force microscopy (SFM) images have displayed a high degree of regularity of these self-assembled nanoobjects regarding size, shape, and packing in a monolayer. Analysis of SFM images allowed us to estimate that each toroidal domain has an outer diameter of about 50 nm and consists of several thousands of molecules. We propose a simple model explaining the clustering of the molecules to objects with a finite size. The model based on the close-packing principles predicts formation of toroids, whose size is determined by the molecular geometry. Here, we consider the amphiphilic nature of the (perfluoroalkyl)alkane molecules in combination with incommensurable packing parameters of the alkyl- and the perfluoralkyl-segments to be a key factor for such a self-assembly.

Modeling for Ultrasonic Health Monitoring of Foams with Embedded Sensors

NASA Technical Reports Server (NTRS)

Wang, L.; Rokhlin, S. I.; Rokhlin, Stanislav, I.

2005-01-01

In this report analytical and numerical methods are proposed to estimate the effective elastic properties of regular and random open-cell foams. The methods are based on the principle of minimum energy and on structural beam models. The analytical solutions are obtained using symbolic processing software. The microstructure of the random foam is simulated using Voronoi tessellation together with a rate-dependent random close-packing algorithm. The statistics of the geometrical properties of random foams corresponding to different packing fractions have been studied. The effects of the packing fraction on elastic properties of the foams have been investigated by decomposing the compliance into bending and axial compliance components. It is shown that the bending compliance increases and the axial compliance decreases when the packing fraction increases. Keywords: Foam; Elastic properties; Finite element; Randomness

Close packing in curved space by simulated annealing

NASA Astrophysics Data System (ADS)

Wille, L. T.

1987-12-01

The problem of packing spheres of a maximum radius on the surface of a four-dimensional hypersphere is considered. It is shown how near-optimal solutions can be obtained by packing soft spheres, modelled as classical particles interacting under an inverse power potential, followed by a subsequent hardening of the interaction. In order to avoid trapping in high-lying local minima, the simulated annealing method is used to optimise the soft-sphere packing. Several improvements over other work (based on local optimisation of random initial configurations of hard spheres) have been found. The freezing behaviour of this system is discussed as a function of particle number, softness of the potential and cooling rate. Apart from their geometric interest, these results are useful in the study of topological frustration, metallic glasses and quasicrystals.

Primary packaging considerations in developing medicines for children: oral liquid and powder for constitution.

PubMed

Campbell, Gossett A; Vallejo, Erick

2015-01-01

The packaging presentation of oral liquid pediatric medicines is a critical step in maintaining chemical and physical stability, compliance, adherence, and proper handling by the target patient population, guardians, caregivers, and health-care professionals. The common packaging presentations for commercial oral liquid pediatric drug products are glass bottle, plastic bottle, sachet, and stick pack configurations. The type of pack presentation selected is driven by the quality target product profile (QTPP) that is designed around the physicochemical properties of the drug substance and the desired drug product suitability for the target population. The QTPP defines the intended use of the drug product, drug product quality criteria, dose strength, dosage form, container closure system, storage conditions, stability criteria, dosing device, shelf life, and attributes affecting the pharmacokinetic characteristics. Oral liquid pediatric formulations are typically prepared from a powder that is constituted at the time of use as a suspension or a solution for single or multiple use depending on the stability of the constituted formulation. Active ingredients with high aqueous solubility can be developed as a powder for oral solution and presented in a bottle for multiple use product and a stick pack, packet, or sachet for single-use product. Active ingredients with low aqueous solubility can be developed as a powder for oral suspension and presented in a bottle for multiple use product and a stick pack or sachet for single-use product. A secondary package may be used in cases where the primary pack failed to provide adequate protection against light degradation. This work will help formulation scientists select the most appropriate pack presentation in the early stages of pediatric clinical development. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

Influence of freezing and storing cherry fruit on its nutritional value.

PubMed

Vasylyshyna, Elena

2016-01-01

Cherries are a valuable dietary raw material and possess medicinal properties. Considering the nutritional, medical and vitamin value of cherry fruits, the purpose of this research was to produce a scientific justification for preserving the quality of cherry fruits using different freezing methods. To do this, cherry fruits from the Lotovka (Cerasus vulgaris) variety were frozen in various ways: packed in polyethylene bags (control); previously suspended in a 20% sugar solution and packing frozen cherry in polyethylene bags; suspended in a 20% sugar solution with the addition of 4% ascorutin and frozen followed by pre-packaging in polyethylene bags; cherry fruits were frozen in a 20% sugar solution in plastic cups of 0.25 cm3; they were also frozen in a 20% sugar solution with the addition of 4% ascorutin in plastic cups. The frozen products were stored at a temperature not higher than -18°C for up to 6 months. Result. Studies have shown the appropriateness of freezing cherry fruits, particularly in a 20% sugar solution with the addition of 4% ascorutin. The advantages of these fruits are in ascorbic acid preservation in 1. nd. Cherries are a valuable dietary raw material and possess medicinal properties. Considering the nutritional, medical and vitamin value of cherry fruits, the purpose of this research was to produce a scientific justification for preserving the quality of cherry fruits using different freezing methods. Material and methods. To do this, cherry fruits from the Lotovka (Cerasus vulgaris) variety were frozen in various ways: packed in polyethylene bags (control); previously suspended in a 20% sugar solution and packing frozen cherry in polyethylene bags; suspended in a 20% sugar solution with the addition of 4% ascorutin and frozen followed by pre-packaging in polyethylene bags; cherry fruits were frozen in a 20% sugar solution in plastic cups of 0.25 cm3; they were also frozen in a 20% sugar solution with the addition of 4% ascorutin in plastic cups. The frozen products were stored at a temperature not higher than -18°C for up to 6 months. Result. Studies have shown the appropriateness of freezing cherry fruits, particularly in a 20% sugar solution with the addition of 4% ascorutin. The advantages of these fruits are in ascorbic acid preservation in 1.5 times and reduction of tanning and coloring substances only by 27%, soluble solids to 7%, sugars - 4%, acids - 12%, in tasting evaluation of 5 points. Frozen cherry fruits in a 20% sugar solution with the addition of 4% ascorutin can be used in dietary nutrition for patients with cardiovascular diseases.

[Locus-controlling regions: description in the LCR-TRRD data base].

PubMed

Podkolodnaia, O A; Levitskiĭ, V G; Podkolodnyĭ, N L

2001-01-01

The structural and functional organization of locus control regions (LCR) was analyzed using data of the LCR-TRR Database. The role of several transcription factors in the LCR function was considered. A study was made of the possible nucleosomal packing of enhancer regions in LCR. The structure and the format of LCR-TRRD are described. The database has been constructed for SRS and is available at http://wwwmgs.bionet.nsc.ru/mgs/dbase/LCR/.

Quality of osmotically pre-treated and vacuum dried pineapple cubes on storage as influenced by type of solutes and packaging materials.

PubMed

Paul, Prodyut Kumar; Ghosh, Swapan Kumar; Singh, Dhananjay Kumar; Bhowmick, Nilesh

2014-08-01

The quality and stability of osmotically pre-treated and subsequently vacuum dried pineapple cubes using three different solutes and packed in three different types of packaging materials on storage was evaluated. The experiment was laid out in completely randomized block design with two factors and three replications for each treatment. Treatment combinations were considered as one factor and storage interval as another factor. Pineapple cubes stored in glass bottle showed very little percentage variation in moisture content due to its high moisture barrier properties. In all treatment combination, acidity values were invariably found to increase as the storage progressed. For all three different osmotic treatments, HDPE pouch packet always showed highest acidity followed by PVDC pouch. Again among three solutes under consideration, invert sugar recorded a rapid increase in acidity than other solutes. In pineapple cubes osmotically treated with sucrose solution, the rates of decrease of total sugar content were lower than that of invert sugar and sorbitol treated pineapple cubes. The percentage decrease of total sugar content was highest when the osmotically dehydrated pineapple cubes were packed in HDPE pouch and it was least in glass bottles. There was a gradual decrease in ascorbic acid content with the extension of storage period and this decrease was statistically significant at all storage intervals up to six-month. Lowest value of ascorbic acid content (15.210 mg per 100 g initial solid) was recorded in invert sugar treated pineapple cube packed in HDPE pouch after 6 months of storage.

[Development of injection containers for patient and medical staff].

PubMed

Kawasaki, Yoichi; Sendo, Toshiaki

2015-01-01

Recently, there has been a transition from glass to plastic injection containers in Japan. In our previous study, we suggested that plastic containers had less impurity contamination than glass containers. However, the use of some plasticizers has been limited because of their endocrine disrupting effects. Therefore, contamination has been a concern due to chemicals in injection solution packed with plastic containers. Indeed, in our recent study, photoinitiators were detected in an injection solution coming from plastic containers. Photoinitiators mainly exist in ink. We therefore speculated that ink originating from a photoinitiator directly printing on plastic containers had migrated into the injection solutions. In a clinical setting, plastic containers are very tractable because they are lightweight and less breakable. On the other hand, from a safety view point, these containers may be hazardous because of permeation by steam, ambient air or photoinitiators. In the present symposium, we will discuss the risk of photoinitiators leaking into injection solution packed with plastic containers, and countermeasures to avoid this risk.

49 CFR 173.195 - Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution).

Code of Federal Regulations, 2013 CFR

2013-10-01

... 49 Transportation 2 2013-10-01 2013-10-01 false Hydrogen cyanide, anhydrous, stabilized... Hazardous Materials Other Than Class 1 and Class 7 § 173.195 Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution). (a) Hydrogen cyanide, anhydrous, stabilized, must be packed in...

49 CFR 173.195 - Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution).

Code of Federal Regulations, 2011 CFR

2011-10-01

... 49 Transportation 2 2011-10-01 2011-10-01 false Hydrogen cyanide, anhydrous, stabilized... Hazardous Materials Other Than Class 1 and Class 7 § 173.195 Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution). (a) Hydrogen cyanide, anhydrous, stabilized, must be packed in...

49 CFR 173.195 - Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution).

Code of Federal Regulations, 2010 CFR

2010-10-01

... 49 Transportation 2 2010-10-01 2010-10-01 false Hydrogen cyanide, anhydrous, stabilized... Hazardous Materials Other Than Class 1 and Class 7 § 173.195 Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution). (a) Hydrogen cyanide, anhydrous, stabilized, must be packed in...

49 CFR 173.195 - Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution).

Code of Federal Regulations, 2012 CFR

2012-10-01

... 49 Transportation 2 2012-10-01 2012-10-01 false Hydrogen cyanide, anhydrous, stabilized... Hazardous Materials Other Than Class 1 and Class 7 § 173.195 Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution). (a) Hydrogen cyanide, anhydrous, stabilized, must be packed in...

49 CFR 173.195 - Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution).

Code of Federal Regulations, 2014 CFR

2014-10-01

... 49 Transportation 2 2014-10-01 2014-10-01 false Hydrogen cyanide, anhydrous, stabilized... Hazardous Materials Other Than Class 1 and Class 7 § 173.195 Hydrogen cyanide, anhydrous, stabilized (hydrocyanic acid, aqueous solution). (a) Hydrogen cyanide, anhydrous, stabilized, must be packed in...

Design, development, and fabrication of a prototype ice pack heat sink subsystem. Potassium bifluoride/water solution investigations. [for portable life support systems

NASA Technical Reports Server (NTRS)

Roebelen, G. J., Jr.; Kellner, J. D.

1977-01-01

A series of investigations was conducted to characterize the physical properties of potassium bifluoride and water solutions for use as the fusible heat sink material in a regenerable portable life support system.

Hysteresis of Colloid Retention and Release in Saturated Porous Media During Transients in Solution Chemistry

USDA-ARS?s Scientific Manuscript database

Saturated packed column and micromodel transport studies wereconducted to gain insightonmechanismsof colloid retention and release under unfavorable attachment conditions. The initial deposition of colloids in porous media was found to be a strongly coupled process that depended on solution chemistr...

Critical role of alkyl chain branching of organic semiconductors in enabling solution-processed N-channel organic thin-film transistors with mobility of up to 3.50 cm² V(-1) s(-1).

PubMed

Zhang, Fengjiao; Hu, Yunbin; Schuettfort, Torben; Di, Chong-an; Gao, Xike; McNeill, Christopher R; Thomsen, Lars; Mannsfeld, Stefan C B; Yuan, Wei; Sirringhaus, Henning; Zhu, Daoben

2013-02-13

Substituted side chains are fundamental units in solution processable organic semiconductors in order to achieve a balance of close intermolecular stacking, high crystallinity, and good compatibility with different wet techniques. Based on four air-stable solution-processed naphthalene diimides fused with 2-(1,3-dithiol-2-ylidene)malononitrile groups (NDI-DTYM2) that bear branched alkyl chains with varied side-chain length and different branching position, we have carried out systematic studies on the relationship between film microstructure and charge transport in their organic thin-film transistors (OTFTs). In particular synchrotron measurements (grazing incidence X-ray diffraction and near-edge X-ray absorption fine structure) are combined with device optimization studies to probe the interplay between molecular structure, molecular packing, and OTFT mobility. It is found that the side-chain length has a moderate influence on thin-film microstructure but leads to only limited changes in OTFT performance. In contrast, the position of branching point results in subtle, yet critical changes in molecular packing and leads to dramatic differences in electron mobility ranging from ~0.001 to >3.0 cm(2) V(-1) s(-1). Incorporating a NDI-DTYM2 core with three-branched N-alkyl substituents of C(11,6) results in a dense in-plane molecular packing with an unit cell area of 127 Å(2), larger domain sizes of up to 1000 × 3000 nm(2), and an electron mobility of up to 3.50 cm(2) V(-1) s(-1), which is an unprecedented value for ambient stable n-channel solution-processed OTFTs reported to date. These results demonstrate that variation of the alkyl chain branching point is a powerful strategy for tuning of molecular packing to enable high charge transport mobilities.

Clinical outcome and patient satisfaction using biodegradable (NasoPore) and non-biodegradable packing, a double-blind, prospective, randomized study.

PubMed

Burduk, Pawel Krzysztof; Wierzchowska, Malgorzata; Grześkowiak, Blazej; Kaźmierczak, Wojciech; Wawrzyniak, Katarzyna

Nasal packing after endoscopic sinus surgery is used as a standard procedure. The optimum solution to minimize or eliminate all disadvantages of this procedure may be accomplished using biodegradable packs. The aim of this study was to compare patient satisfaction and clinical outcome associated with absorbable and non-absorbable packing after FESS. In total, 50 patients were included in a prospective, double-blind, randomized trial. One side was packed with polyurethane foam, while the opposite side was packed with gauze packing. On the 2nd, 10th, and 30th postoperative day, the patients were questioned with the aid of a visual analog scale. The standardized questionnaires for bleeding, nasal breathing, feeling of pressure, and headache were used. The presence of synechiae, infection, or granulation was noted and recorded with the video-endoscopy. A significant difference according to lower pressure was found in the NasoPore group compared to the controls on day ten after surgery. The NasoPore packing had lower scores with respect to postoperative nose blockage on the 2nd and 10th days. Mucosal healing was better for the NasoPore group, both at day ten and 30 compared with the control group. The overall patient comfort is higher when using NasoPore compared to non-resorbable traditional impregnated gauze packing. Intensive saline douches applied three to four times per day are mandatory after the operation to prevent synechiae formation and fluid resorption by the packing. Published by Elsevier Editora Ltda.

Characterizing AISI 1045 steel surface duplex-treated by alternating current field enhanced pack aluminizing and nitriding

NASA Astrophysics Data System (ADS)

Xie, Fei; Zhang, Ge; Pan, Jianwei

2018-02-01

Thin cases and long treating time are shortcomings of conventional duplex treatment of aluminizing followed by nitriding (DTAN). Alternating current field (ACF) enhanced DTAN was carried out on AISI 1045 steel by applying an ACF to treated samples and treating agents with a pair of electrodes for overcoming those shortcomings. By investigating cases' structures, phases, composition and hardness distributions of differently treated samples, preliminary studies were made on characterizations of the ACF enhanced duplex treatment to AISI 1045 steel. The results show that, with the help of the ACF, the surface Al-rich phase Al5Fe2 formed in conventional pack aluminizing can be easily avoided and the aluminizing process is dramatically promoted. The aluminizing case can be nitrided either with conventional pack nitriding or ACF enhanced pack nitriding. By applying ACF to pack nitriding, the diffusion of nitrogen into the aluminizing case is promoted. AlN, Fe2∼3N and solid solution of N in iron are efficiently formed as a result of reactions of N with the aluminizing case. A duplex treated case with an effective thickness of more than 170 μm can be obtained by the alternating current field enhanced 4 h pack aluminizing plus 4 h pack nitriding.

Ni-Al phase transformation of dual layer coating prepared by pack cementation and electrodeposition

NASA Astrophysics Data System (ADS)

Afandi, A.; Sugiarti, E.; Ekaputra, R.; Sudiro, T.; Thosin, K. A. Z.

2018-03-01

In this work, Fe-Cr alloys were coated via Aluminum (Al) pack cementation, followed by Nickel (Ni) electrodeposition. The process of pack cementation was done with mixing powders of Al, Al203 and NH4Cl with weight percentage of 15%, 85%, and 5% respectively. To control successful Al diffusion to the substrate, pack cementation was conducted for 7 hours with two holding temperatures treatment at 400 °C for 4 hours, and 800 ° C hours for 2 hours. Subsequently, the electrodeposition of Ni was applied with the solution consisting of NiSO4, H3BO3, and NiCl2. The samples were placed in the cathode, and then dipped in the solutions, while Ni plate used as anode. Successfully the samples were coated by dual Al-Ni layers, the samples were slowly heat treated at 900 °C for 10 hours. The inter-diffusion of Al and Ni were characterized with SEM/EDX to investigate the distribution of the elements. Mechanical properties of the coated substrates were analyzed with Hardness Vickers (HV). It was found the hardness of the substrate increased significantly, from originally 255 HV to the 1177 HV after pack cementation. The hardness of the substrates has decreased to 641 HV after Ni plating, but subsequent heat treatment has been able to increase the hardness to 842 HV. This phenomenon can be correlated to the inward Al diffusion, and outward Fe, Cr diffusion. The formation of intermetallic compounds due to Al inward and Fe, Cr outward diffusion were discussed in details.

Mathematical model and calculation of water-cooling efficiency in a film-filled cooling tower

NASA Astrophysics Data System (ADS)

Laptev, A. G.; Lapteva, E. A.

2016-10-01

Different approaches to simulation of momentum, mass, and energy transfer in packed beds are considered. The mathematical model of heat and mass transfer in a wetted packed bed for turbulent gas flow and laminar wave counter flow of the fluid film in sprinkler units of a water-cooling tower is presented. The packed bed is represented as the set of equivalent channels with correction to twisting. The idea put forward by P. Kapitsa on representation of waves on the interphase film surface as elements of the surface roughness in interaction with the gas flow is used. The temperature and moisture content profiles are found from the solution of differential equations of heat and mass transfer written for the equivalent channel with the volume heat and mass source. The equations for calculation of the average coefficients of heat emission and mass exchange in regular and irregular beds with different contact elements, as well as the expression for calculation of the average turbulent exchange coefficient are presented. The given formulas determine these coefficients for the known hydraulic resistance of the packed bed element. The results of solution of the system of equations are presented, and the water temperature profiles are shown for different sprinkler units in industrial water-cooling towers. The comparison with experimental data on thermal efficiency of the cooling tower is made; this allows one to determine the temperature of the cooled water at the output. The technical solutions on increasing the cooling tower performance by equalization of the air velocity profile at the input and creation of an additional phase contact region using irregular elements "Inzhekhim" are considered.

Corrosion Behaviour of Sn-based Lead-Free Solders in Acidic Solution

NASA Astrophysics Data System (ADS)

Nordarina, J.; Mohd, H. Z.; Ahmad, A. M.; Muhammad, F. M. N.

2018-03-01

The corrosion properties of Sn-9(5Al-Zn), Sn-Cu and SAC305 were studied via potentiodynamic polarization method in an acidic solution of 1 M hydrochloric acid (HCl). Sn-9(5Al-Zn) produced different polarization profile compared with Sn-Cu and SAC305. The morphological analysis showed that small, deep grooves shaped of corrosion product formed on top of Sn-9(5Al-Zn) solder while two distinctive structures of closely packed and loosely packed corrosion product formed on top of Sn-Cu and SAC305 solder alloys. Phase analysis revealed the formations of various corrosion products such as SnO and SnO2 mainly dominant on surface of solder alloys after potentiodynamic polarization in 1 M hydrochloric acid (HCl).

Analyzing parameters optimisation in minimising warpage on side arm using response surface methodology (RSM)

NASA Astrophysics Data System (ADS)

Rayhana, N.; Fathullah, M.; Shayfull, Z.; Nasir, S. M.; Hazwan, M. H. M.

2017-09-01

This paper presents a systematic methodology to analyse the warpage of the side arm part using Autodesk Moldflow Insight software. Response Surface Methodology (RSM) was proposed to optimise the processing parameters that will result in optimal solutions by efficiently minimising the warpage of the side arm part. The variable parameters considered in this study was based on most significant parameters affecting warpage stated by previous researchers, that is melt temperature, mould temperature and packing pressure while adding packing time and cooling time as these is the commonly used parameters by researchers. The results show that warpage was improved by 10.15% and the most significant parameters affecting warpage are packing pressure.

Partitioning and packing mathematical simulation models for calculation on parallel computers

NASA Technical Reports Server (NTRS)

Arpasi, D. J.; Milner, E. J.

1986-01-01

The development of multiprocessor simulations from a serial set of ordinary differential equations describing a physical system is described. Degrees of parallelism (i.e., coupling between the equations) and their impact on parallel processing are discussed. The problem of identifying computational parallelism within sets of closely coupled equations that require the exchange of current values of variables is described. A technique is presented for identifying this parallelism and for partitioning the equations for parallel solution on a multiprocessor. An algorithm which packs the equations into a minimum number of processors is also described. The results of the packing algorithm when applied to a turbojet engine model are presented in terms of processor utilization.

Apparatus and method for determining solids circulation rate

DOEpatents

Ludlow, J Christopher [Morgantown, WV; Spenik, James L [Morgantown, WV

2012-02-14

The invention relates to a method of determining bed velocity and solids circulation rate in a standpipe experiencing a moving packed bed flow, such as the in the standpipe section of a circulating bed fluidized reactor The method utilizes in-situ measurement of differential pressure over known axial lengths of the standpipe in conjunction with in-situ gas velocity measurement for a novel application of Ergun equations allowing determination of standpipe void fraction and moving packed bed velocity. The method takes advantage of the moving packed bed property of constant void fraction in order to integrate measured parameters into simultaneous solution of Ergun-based equations and conservation of mass equations across multiple sections of the standpipe.

Generating equilateral random polygons in confinement

NASA Astrophysics Data System (ADS)

Diao, Y.; Ernst, C.; Montemayor, A.; Ziegler, U.

2011-10-01

One challenging problem in biology is to understand the mechanism of DNA packing in a confined volume such as a cell. It is known that confined circular DNA is often knotted and hence the topology of the extracted (and relaxed) circular DNA can be used as a probe of the DNA packing mechanism. However, in order to properly estimate the topological properties of the confined circular DNA structures using mathematical models, it is necessary to generate large ensembles of simulated closed chains (i.e. polygons) of equal edge lengths that are confined in a volume such as a sphere of certain fixed radius. Finding efficient algorithms that properly sample the space of such confined equilateral random polygons is a difficult problem. In this paper, we propose a method that generates confined equilateral random polygons based on their probability distribution. This method requires the creation of a large database initially. However, once the database has been created, a confined equilateral random polygon of length n can be generated in linear time in terms of n. The errors introduced by the method can be controlled and reduced by the refinement of the database. Furthermore, our numerical simulations indicate that these errors are unbiased and tend to cancel each other in a long polygon.

Radiative Transfer Theory Verified by Controlled Laboratory Experiments

NASA Technical Reports Server (NTRS)

Mishchenko, Michael I.; Goldstein, Dennis H.; Chowdhary, Jacek; Lompado, Arthur

2013-01-01

We report the results of high-accuracy controlled laboratory measurements of the Stokes reflection matrix for suspensions of submicrometer-sized latex particles in water and compare them with the results of a numerically exact computer solution of the vector radiative transfer equation (VRTE). The quantitative performance of the VRTE is monitored by increasing the volume packing density of the latex particles from 2 to 10. Our results indicate that the VRTE can be applied safely to random particulate media with packing densities up to 2. VRTE results for packing densities of the order of 5 should be taken with caution, whereas the polarized bidirectional reflectivity of suspensions with larger packing densities cannot be accurately predicted. We demonstrate that a simple modification of the phase matrix entering the VRTE based on the so-called static structure factor can be a promising remedy that deserves further examination.

Capillary Pressure of a Liquid Between Uniform Spheres Arranged in a Square-Packed Layer

NASA Technical Reports Server (NTRS)

Alexader, J. Iwan D.; Slobozhanin, Lev A.; Collicott, Steven H.

2004-01-01

The capillary pressure in the pores defined by equidimensional close-packed spheres is analyzed numerically. In the absence of gravity the menisci shapes are constructed using Surface Evolver code. This permits calculation the free surface mean curvature and hence the capillary pressure. The dependences of capillary pressure on the liquid volume constructed here for a set of contact angles allow one to determine the evolution of basic capillary characteristics under quasi-static infiltration and drainage. The maximum pressure difference between liquid and gas required for a meniscus passing through a pore is calculated and compared with that for hexagonal packing and with approximate solution given by Mason and Morrow [l]. The lower and upper critical liquid volumes that determine the stability limits for the equilibrium capillary liquid in contact with square packed array of spheres are tabulated for a set of contact angles.

Effect of chemical and physical heterogeneities on colloid-facilitated cesium transport

NASA Astrophysics Data System (ADS)

Rod, Kenton; Um, Wooyong; Chun, Jaehun; Wu, Ning; Yin, Xialong; Wang, Guohui; Neeves, Keith

2018-06-01

A set of column experiments was conducted to investigate the chemical and physical heterogeneity effect on colloid facilitated transport under slow pore velocity conditions. Pore velocities were kept below 100 cm d-1 for all experiments. Glass beads were packed into columns establishing four different conditions: 1) homogeneous, 2) mixed physical heterogeneity, 3) sequentially layered physical heterogeneity, and 4) chemical heterogeneity. The homogeneous column was packed with glass beads (diameter 500-600 μm), and physical heterogeneities were created by sequential layering or mixing two sizes of glass bead (500-600 μm and 300-400 μm). A chemical heterogeneity was created using 25% of the glass beads coated with hydrophobic molecules (1H-1H-2H-2H-perfluorooctyltrichlorosilane) mixed with 75% pristine glass beads (all 500-600 μm). Input solution with 0.5 mM CsI and 50 mg L-1 colloids (1-μm diameter SiO2) was pulsed into columns under saturated conditions. The physical heterogeneity in the packed glass beads retarded the transport of colloids compared to homogeneous (R = 25.0), but showed only slight differences between sequentially layered (R = 60.7) and mixed heterogeneity(R = 62.4). The column with the chemical, hydrophobic/hydrophilic, heterogeneity removed most of the colloids from the input solution. All column conditions stripped Cs from colloids onto the column matrix of packed glass beads.

Lipid immiscibility and biophysical properties: Molecular order within and among unit cell volumes

USDA-ARS?s Scientific Manuscript database

Saturated and unsaturated fatty acids clearly have a discrete chemical structure in the solid state. In a saturated solution, the solid state and solution state are in chemical equilibrium. The lipid stearic acid packs in unit cell volumes in the liquid state as well as in the solid state. Normal...

Theories of hydrophobic effects and the description of free volume in complex liquids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pratt, L.R.; Garde, S.; Hummer, G.

1998-12-31

Recent progress on molecular theories of hydration of nonpolar solutes in liquid aqueous solution has lead to new ways to thinking about the old issue of free volume in liquids. This article surveys the principal new results with particular attention to the context of general issues of packing in liquids.

Three-dimensional cellulose sponge: Fabrication, characterization, biomimetic mineralization, and in vitro cell infiltration.

PubMed

Joshi, Mahesh Kumar; Pant, Hem Raj; Tiwari, Arjun Prasad; Maharjan, Bikendra; Liao, Nina; Kim, Han Joo; Park, Chan Hee; Kim, Cheol Sang

2016-01-20

In this study, cellulose based scaffolds were produced by electrospinning of cellulose acetate (CA) solution followed by its saponification with NaOH/ethanol system for 24h. The resulting nonwoven cellulose mat was treated with sodium borohydride (SB) solution. In situ hydrolysis of SB solution into the pores of the membrane produced hydrogen gas resulting a three-dimensional (3D) cellulose sponge. SEM images demonstrated an open porous and loosely packed fibrous mesh compared to the tightly packed single-layered structure of the conventional electrospun membrane. 3D cellulose sponge showed admirable ability to nucleate bioactive calcium phosphate (Ca-P) crystals in simulated body fluid (SBF) solution. SEM-EDX and X-ray diffraction studies revealed that the minerals deposited on the nanofibers have the nonstoichiometric composition similar to that of hydroxyapatite, the mineralized component of the bone. 3D cellulose sponge exhibited the better cell infiltration, spreading and proliferation compared to 2D cellulose mat. Therefore, a facile fabrication of 3D cellulose sponge with improved mineralization represents an innovative strategy for the bone tissue engineering applications. Copyright © 2015 Elsevier Ltd. All rights reserved.

Reformulation of the covering and quantizer problems as ground states of interacting particles.

PubMed

Torquato, S

2010-11-01

It is known that the sphere-packing problem and the number-variance problem (closely related to an optimization problem in number theory) can be posed as energy minimizations associated with an infinite number of point particles in d-dimensional Euclidean space R(d) interacting via certain repulsive pair potentials. We reformulate the covering and quantizer problems as the determination of the ground states of interacting particles in R(d) that generally involve single-body, two-body, three-body, and higher-body interactions. This is done by linking the covering and quantizer problems to certain optimization problems involving the "void" nearest-neighbor functions that arise in the theory of random media and statistical mechanics. These reformulations, which again exemplify the deep interplay between geometry and physics, allow one now to employ theoretical and numerical optimization techniques to analyze and solve these energy minimization problems. The covering and quantizer problems have relevance in numerous applications, including wireless communication network layouts, the search of high-dimensional data parameter spaces, stereotactic radiation therapy, data compression, digital communications, meshing of space for numerical analysis, and coding and cryptography, among other examples. In the first three space dimensions, the best known solutions of the sphere-packing and number-variance problems (or their "dual" solutions) are directly related to those of the covering and quantizer problems, but such relationships may or may not exist for d≥4 , depending on the peculiarities of the dimensions involved. Our reformulation sheds light on the reasons for these similarities and differences. We also show that disordered saturated sphere packings provide relatively thin (economical) coverings and may yield thinner coverings than the best known lattice coverings in sufficiently large dimensions. In the case of the quantizer problem, we derive improved upper bounds on the quantizer error using sphere-packing solutions, which are generally substantially sharper than an existing upper bound in low to moderately large dimensions. We also demonstrate that disordered saturated sphere packings yield relatively good quantizers. Finally, we remark on possible applications of our results for the detection of gravitational waves.

Reformulation of the covering and quantizer problems as ground states of interacting particles

NASA Astrophysics Data System (ADS)

Torquato, S.

2010-11-01

It is known that the sphere-packing problem and the number-variance problem (closely related to an optimization problem in number theory) can be posed as energy minimizations associated with an infinite number of point particles in d -dimensional Euclidean space Rd interacting via certain repulsive pair potentials. We reformulate the covering and quantizer problems as the determination of the ground states of interacting particles in Rd that generally involve single-body, two-body, three-body, and higher-body interactions. This is done by linking the covering and quantizer problems to certain optimization problems involving the “void” nearest-neighbor functions that arise in the theory of random media and statistical mechanics. These reformulations, which again exemplify the deep interplay between geometry and physics, allow one now to employ theoretical and numerical optimization techniques to analyze and solve these energy minimization problems. The covering and quantizer problems have relevance in numerous applications, including wireless communication network layouts, the search of high-dimensional data parameter spaces, stereotactic radiation therapy, data compression, digital communications, meshing of space for numerical analysis, and coding and cryptography, among other examples. In the first three space dimensions, the best known solutions of the sphere-packing and number-variance problems (or their “dual” solutions) are directly related to those of the covering and quantizer problems, but such relationships may or may not exist for d≥4 , depending on the peculiarities of the dimensions involved. Our reformulation sheds light on the reasons for these similarities and differences. We also show that disordered saturated sphere packings provide relatively thin (economical) coverings and may yield thinner coverings than the best known lattice coverings in sufficiently large dimensions. In the case of the quantizer problem, we derive improved upper bounds on the quantizer error using sphere-packing solutions, which are generally substantially sharper than an existing upper bound in low to moderately large dimensions. We also demonstrate that disordered saturated sphere packings yield relatively good quantizers. Finally, we remark on possible applications of our results for the detection of gravitational waves.

How the Molecular Packing Affects the Room Temperature Phosphorescence in Pure Organic Compounds: Ingenious Molecular Design, Detailed Crystal Analysis, and Rational Theoretical Calculations.

PubMed

Xie, Yujun; Ge, Yuwei; Peng, Qian; Li, Conggang; Li, Qianqian; Li, Zhen

2017-05-01

Long-lived phosphorescence at room temperature (RTP) from pure organic molecules is rare. Recent research reveals various crystalline organic molecules can realize RTP with lifetimes extending to the magnitude of second. There is little research on how molecular packing affecting RTP. Three compounds are designed with similar optical properties in solution, but tremendously different solid emission characteristics. By investigating the molecular packing arrangement in single crystals, it is found that the packing style of the compact face to face favors of long phosphorescence lifetime and high photoluminescence efficiency, with the lifetime up to 748 ms observed in the crystal of CPM ((9H-carbazol-9-yl)(phenyl)methanone). Theoretical calculation analysis also reveals this kind of packing style can remarkably reduce the singlet excited energy level and prompt electron communication between dimers. Surprisingly, CPM has two very similar single crystals, labeled as CPM and CPM-A, with almost identical crystal data, and the only difference is that molecules in CPM-A crystal take a little looser packing arrangement. X-ray diffraction and cross-polarization under magic spinning 13 C NMR spectra double confirm that they are different crystals. Interestingly, CPM-A crystal shows negligible RTP compared to the CPM crystal, once again proving that the packing style is critical to the RTP property. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Non-Darcian flow of shear-thinning fluids through packed beads: Experiments and predictions using Forchheimer's law and Ergun's equation

NASA Astrophysics Data System (ADS)

Rodríguez de Castro, Antonio; Radilla, Giovanni

2017-02-01

The flow of shear-thinning fluids through unconsolidated porous media is present in a number of important industrial applications such as soil depollution, Enhanced Oil Recovery or filtration of polymeric liquids. Therefore, predicting the pressure drop-flow rate relationship in model porous media has been the scope of major research efforts during the last decades. Although the flow of Newtonian fluids through packs of spherical particles is well understood in most cases, much less is known regarding the flow of shear-thinning fluids as high molecular weight polymer aqueous solutions. In particular, the experimental data for the non-Darcian flow of shear-thinning fluids are scarce and so are the current approaches for their prediction. Given the relevance of non-Darcian shear-thinning flow, the scope of this work is to perform an experimental study to systematically evaluate the effects of fluid shear rheology on the flow rate-pressure drop relationships for the non-Darcian flow through different packs of glass spheres. To do so, xanthan gum aqueous solutions with different polymer concentrations are injected through four packs of glass spheres with uniform size under Darcian and inertial flow regimes. A total of 1560 experimental data are then compared with predictions coming from different methods based on the extension of widely used Ergun's equation and Forchheimer's law to the case of shear thinning fluids, determining the accuracy of these predictions. The use of a proper definition for Reynolds number and a realistic model to represent the rheology of the injected fluids results in the porous media are shown to be key aspects to successfully predict pressure drop-flow rate relationships for the inertial shear-thinning flow in packed beads.

Experimental and numerical investigation of a packed-bed thermal energy storage device

NASA Astrophysics Data System (ADS)

Yang, Bei; Wang, Yan; Bai, Fengwu; Wang, Zhifeng

2017-06-01

This paper presents a pilot-scale setup built to study a packed bed thermal energy storage device based on ceramic balls randomly poured into a cylindrical tank while using air as heat transfer fluid. Temperature distribution of ceramic balls throughout the packed bed is investigated both experimentally and numerically. Method of characteristic is adopted to improve the numerical computing efficiency, and mesh independence is verified to guarantee the accuracy of numerical solutions and the economy of computing time cost at the same time. Temperature in tests is as high as over 600 °C, and modeling prediction shows good agreements with experimental results under various testing conditions when heat loss is included and thermal properties of air are considered as temperature dependent.

Approximate transient and long time limit solutions for the band broadening induced by the thin sidewall-layer in liquid chromatography columns.

PubMed

Broeckhoven, Ken; Desmet, Gert

2007-11-16

Using a combination of both analytical and numerical techniques, approximate analytical expressions have been established for the transient and long time limit band broadening, originating from the presence of a thin disturbed sidewall layer in liquid chromatography columns, including packed, monolithic as well as microfabricated columns. The established expressions can be used to compare the importance of a thin disturbed sidewall layer with that of other radial heterogeneity effects (such as transcolumn packing density variations due to the relief of packing stresses). The expressions are independent of the actual velocity profile inside the layer as long as the disturbed sidewall layer occupies less than 2.5% of the column width.

Ambipolar carrier transport properties and molecular packing structure of octahexyl-substituted copper phthalocyanine

NASA Astrophysics Data System (ADS)

Watanabe, Ken; Watanabe, Koichi; Tohnai, Norimitsu; Itani, Hiromichi; Shimizu, Yo; Fujii, Akihiko; Ozaki, Masanori

2018-04-01

The charge carrier mobility of a solution-processable low-molecular-weight organic semiconductor material, i.e., 1,4,8,11,15,18,22,25-octahexylphthalocyanine copper complex (C6PcCu), was investigated by the time-of-flight technique. The anomalous ambipolar carrier mobility was discussed from the viewpoint of the molecular packing structure, which was clarified by single-crystal X-ray structure analysis. In the comparison between the molecular packing structures of C6PcCu and its metal-free-type homologue, it was found that the difference in carrier mobility originates from the rotation of the molecule, which is caused by the steric hindrance due to the introduction of a center metal and the interpenetration of the nonperipheral alkyl chains.

An engineered allosteric switch in leucine-zipper oligomerization.

PubMed

Gonzalez, L; Plecs, J J; Alber, T

1996-06-01

Controversy remains about the role of core side-chain packing in specifying protein structure. To investigate the influence of core packing on the oligomeric structure of a coiled coil, we engineered a GCN4 leucine zipper mutant that switches from two to three strands upon binding the hydrophobic ligands cyclohexane and benzene. In solution these ligands increased the apparent thermal stability and the oligomerization order of the mutant leucine zipper. The crystal structure of the peptide-benzene complex shows a single benzene molecule bound at the engineered site in the core of the trimer. These results indicate that coiled coils are well-suited to function as molecular switches and emphasize that core packing is an important determinant of oligomerization specificity.

7 CFR 52.3751 - Product description.

Code of Federal Regulations, 2014 CFR

2014-01-01

... characteristic bitterness; are packed in a solution of sodium chloride, with or without spices, and are sufficiently processed by heat in hermetically sealed containers. Canned olives which are not oxidized in...

7 CFR 52.3751 - Product description.

Code of Federal Regulations, 2013 CFR

2013-01-01

... characteristic bitterness; are packed in a solution of sodium chloride, with or without spices, and are sufficiently processed by heat in hermetically sealed containers. Canned olives which are not oxidized in...

Consideration of grain packing in granular iron treatability studies

NASA Astrophysics Data System (ADS)

Firdous, R.; Devlin, J. F.

2014-08-01

Commercial granular iron (GI) is light steel that is used in Permeable Reactive Barriers (PRBs). Investigations into the reactivity of GI have focused on its chemical nature and relatively little direct work has been done to account for the effects of grain shape and packing. Both of these factors are expected to influence available grain surface area, which is known to correlate to reactivity. Commercial granular iron grains are platy and therefore pack in preferential orientations that could affect solution access to the surface. Three packing variations were investigated using Connelly Iron and trichloroethylene (TCE). Experimental kinetic data showed reaction rates 2-4 times higher when grains were packed with long axes preferentially parallel to flow (VP) compared to packings with long axes preferentially perpendicular to flow (HP) or randomly arranged (RP). The variations were found to be explainable by variations in reactive sorption capacities, i.e., sorption to sites where chemical transformations took place. The possibility that the different reactive sorption capacities were related to physical pore-scale differences was assessed by conducting an image analysis of the pore structure of sectioned columns. The analyses suggested that pore-scale factors - in particular the grain surface availability, reflected in the sorption capacity terms of the kinetic model used - could only account for a fraction of the observed reactivity differences between packing types. It is concluded that packing does affect observable reaction rates but that micro-scale features on the grain surfaces, rather than the pore scale characteristics, account for most of the apparent reactivity differences. This result suggests that treatability tests should consider the packing of columns carefully if they are to mimic field performance of PRBs to the greatest extent possible.

Comparing side chain packing in soluble proteins, protein-protein interfaces, and transmembrane proteins.

PubMed

Gaines, J C; Acebes, S; Virrueta, A; Butler, M; Regan, L; O'Hern, C S

2018-05-01

We compare side chain prediction and packing of core and non-core regions of soluble proteins, protein-protein interfaces, and transmembrane proteins. We first identified or created comparable databases of high-resolution crystal structures of these 3 protein classes. We show that the solvent-inaccessible cores of the 3 classes of proteins are equally densely packed. As a result, the side chains of core residues at protein-protein interfaces and in the membrane-exposed regions of transmembrane proteins can be predicted by the hard-sphere plus stereochemical constraint model with the same high prediction accuracies (>90%) as core residues in soluble proteins. We also find that for all 3 classes of proteins, as one moves away from the solvent-inaccessible core, the packing fraction decreases as the solvent accessibility increases. However, the side chain predictability remains high (80% within 30°) up to a relative solvent accessibility, rSASA≲0.3, for all 3 protein classes. Our results show that ≈40% of the interface regions in protein complexes are "core", that is, densely packed with side chain conformations that can be accurately predicted using the hard-sphere model. We propose packing fraction as a metric that can be used to distinguish real protein-protein interactions from designed, non-binding, decoys. Our results also show that cores of membrane proteins are the same as cores of soluble proteins. Thus, the computational methods we are developing for the analysis of the effect of hydrophobic core mutations in soluble proteins will be equally applicable to analyses of mutations in membrane proteins. © 2018 Wiley Periodicals, Inc.

Effect of chemical and physical heterogeneities on colloid-facilitated cesium transport

DOE PAGES

Rod, Kenton; Um, Wooyong; Chun, Jaehun; ...

2018-03-31

A set of column experiments was conducted to investigate the chemical and physical heterogeneity effect on colloid facilitated transport under slow pore velocity conditions. Pore velocities were kept below 100 cm d -1 for all experiments. Glass beads were packed into columns establishing four different conditions: 1) homogeneous, 2) mixed physical heterogeneity, 3) sequentially layered physical heterogeneity, and 4) chemical heterogeneity. The homogeneous column was packed with glass beads (diameter 500–600 μm), and physical heterogeneities were created by sequential layering or mixing two sizes of glass bead (500–600 μm and 300–400 μm). A chemical heterogeneity was created using 25% ofmore » the glass beads coated with hydrophobic molecules (1H-1H-2H-2H-perfluorooctyltrichlorosilane) mixed with 75% pristine glass beads (all 500–600 μm). Input solution with 0.5 mM CsI and 50 mg L -1 colloids (1-μm diameter SiO 2) was pulsed into columns under saturated conditions. The physical heterogeneity in the packed glass beads retarded the transport of colloids compared to homogeneous (R = 25.0), but showed only slight differences between sequentially layered (R = 60.7) and mixed heterogeneity(R = 62.4). The column with the chemical, hydrophobic/hydrophilic, heterogeneity removed most of the colloids from the input solution. All column conditions stripped Cs from colloids onto the column matrix of packed glass beads.« less

Effect of chemical and physical heterogeneities on colloid-facilitated cesium transport

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rod, Kenton; Um, Wooyong; Chun, Jaehun

A set of column experiments was conducted to investigate the chemical and physical heterogeneity effect on colloid facilitated transport under slow pore velocity conditions. Pore velocities were kept below 100 cm d -1 for all experiments. Glass beads were packed into columns establishing four different conditions: 1) homogeneous, 2) mixed physical heterogeneity, 3) sequentially layered physical heterogeneity, and 4) chemical heterogeneity. The homogeneous column was packed with glass beads (diameter 500–600 μm), and physical heterogeneities were created by sequential layering or mixing two sizes of glass bead (500–600 μm and 300–400 μm). A chemical heterogeneity was created using 25% ofmore » the glass beads coated with hydrophobic molecules (1H-1H-2H-2H-perfluorooctyltrichlorosilane) mixed with 75% pristine glass beads (all 500–600 μm). Input solution with 0.5 mM CsI and 50 mg L -1 colloids (1-μm diameter SiO 2) was pulsed into columns under saturated conditions. The physical heterogeneity in the packed glass beads retarded the transport of colloids compared to homogeneous (R = 25.0), but showed only slight differences between sequentially layered (R = 60.7) and mixed heterogeneity(R = 62.4). The column with the chemical, hydrophobic/hydrophilic, heterogeneity removed most of the colloids from the input solution. All column conditions stripped Cs from colloids onto the column matrix of packed glass beads.« less

Biological denitrification of high concentration nitrate waste

DOEpatents

Francis, Chester W.; Brinkley, Frank S.

1977-01-01

Biological denitrification of nitrate solutions at concentrations of greater than one kilogram nitrate per cubic meter is accomplished anaerobically in an upflow column having as a packing material a support for denitrifying bacteria.

Performance evaluation of poly-urethane foam packed-bed chemical scrubber for the oxidative absorption of NH3 and H2S gases.

PubMed

Nisola, Grace M; Valdehuesa, Kris Niño G; Anonas, Alex V; Ramos, Kristine Rose M; Lee, Won-Keun; Chung, Wook-Jin

2018-01-02

The feasibility of open-pore polyurethane (PU) foam as packing material for wet chemical scrubber was tested for NH 3 and H 2 S removals. The foam is inexpensive, light-weight, highly porous (low pressure drop) and provides large surface area per unit volume, which are desirable properties for enhanced gas/liquid mass transfer. Conventional HCl/HOCl (for NH 3 ) and NaOH/NaOCl (for H 2 S) scrubbing solutions were used to absorb and oxidize the gases. Assessment of the wet chemical scrubbers reveals that pH and ORP levels are important to maintain the gas removal efficiencies >95%. A higher re-circulation rate of scrubbing solutions also proved to enhance the performance of the NH 3 and H 2 S columns. Accumulation of salts was confirmed by the gradual increase in total dissolved solids and conductivity values of scrubbing solutions. The critical elimination capacities at >95% gas removals were found to be 5.24 g NH 3 -N/m 3 -h and 17.2 g H 2 S-S/m 3 -h at an empty bed gas residence time of 23.6 s. Negligible pressure drops (< 4 mm H 2 O) after continuous operation demonstrate the suitability of PU as a practical packing material in wet chemical scrubbers for NH 3 and H 2 S removals from high-volume dilute emissions.

Contact Lenses Wettability In Vitro: Effect of Surface-Active Ingredients

PubMed Central

Lin, Meng C.; Svitova, Tatyana F.

2010-01-01

Purpose To investigate the release of surface-active agents (surfactants) from unworn soft contact lenses and their influence on the lens surface wettability in vitro. Methods Surface tension (ST) of blister pack solutions was measured by pendant-drop technique. STs at the air-aqueous interface and contact angles (CAs) of four conventional and seven silicone hydrogel (SiH) soft contact lenses (SCLs) were evaluated in a dynamic-cycling regime using a modified captive-bubble tensiometer-goniometer. Measurements were performed immediately after removal from blister packs, and after soaking in a glass vial filled with a surfactant-free solution, which was replaced daily for one week. Lens surface wettability was expressed as adhesion energy (AE) according to Young’s equation. Results STs of all blister pack solutions were lower than the reference ST of pure water (72.5 mN/m), indicating the presence of surfactants. When lenses were depleted of surfactants by soaking, the STs of all studied lenses and advancing CAs of selected lenses increased (p < 0.001). Receding CAs of all studied lenses were 12° ± 5° and were not affected by the presence of surfactants. For most of the conventional lenses, the surface wettability was largely dependent on surfactants, and reduced significantly after surfactant depletion. In contrast, most SiH lenses exhibited stable and self-sustained surface wettability in vitro. Conclusions The manufacturer-added surfactants affected wetting properties of all studied SCLs, although to different degrees. PMID:20400924

Transport of E. coli D21g with runoff water under different solution chemistry conditions and surface slopes

USDA-ARS?s Scientific Manuscript database

Tracer and indicator microbe runoff experiments were conducted to investigate the influence of solution chemistry on the transport, retention, and release of Escherichia coli D21g. Experiments were conducted in a chamber (2.25 m long, 0.15 m wide, and 0.16 m high) packed with ultrapure quartz sand (...

Computerized Planning of Cryosurgery Using Bubble Packing: An Experimental Validation on a Phantom Material

PubMed Central

Rossi, Michael R.; Tanaka, Daigo; Shimada, Kenji; Rabin, Yoed

2009-01-01

The current study focuses on experimentally validating a planning scheme based on the so-called bubble-packing method. This study is a part of an ongoing effort to develop computerized planning tools for cryosurgery, where bubble packing has been previously developed as a means to find an initial, uniform distribution of cryoprobes within a given domain; the so-called force-field analogy was then used to move cryoprobes to their optimum layout. However, due to the high quality of the cryoprobes’ distribution, suggested by bubble packing and its low computational cost, it has been argued that a planning scheme based solely on bubble packing may be more clinically relevant. To test this argument, an experimental validation is performed on a simulated cross-section of the prostate, using gelatin solution as a phantom material, proprietary liquid-nitrogen based cryoprobes, and a cryoheater to simulate urethral warming. Experimental results are compared with numerically simulated temperature histories resulting from planning. Results indicate an average disagreement of 0.8 mm in identifying the freezing front location, which is an acceptable level of uncertainty in the context of prostate cryosurgery imaging. PMID:19885373

Enabling Microliquid Chromatography by Microbead Packing of Microchannels

NASA Technical Reports Server (NTRS)

Balvin, Manuel; Zheng, Yun

2013-01-01

The microbead packing is the critical element required in the success of on-chip microfabrication of critical microfluidic components for in-situ analysis and detection of chiral amino acids. In order for microliquid chromatography to occur, there must be a stationary phase medium within the microchannel that interacts with the analytes present within flowing fluid. The stationary phase media are the microbeads packed by the process discussed in this work. The purpose of the microliquid chromatography is to provide a lightweight, low-volume, and low-power element to separate amino acids and their chiral partners efficiently to understand better the origin of life. In order to densely pack microbeads into the microchannels, a liquid slurry of microbeads was created. Microbeads were extracted from a commercially available high-performance liquid chromatography column. The silica beads extracted were 5 microns in diameter, and had surface coating of phenyl-hexyl. These microbeads were mixed with a 200- proof ethanol solution to create a microbead slurry with the right viscosity for packing. A microfilter is placed at the outlet via of the microchannel and the slurry is injected, then withdrawn across a filter using modified syringes. After each injection, the channel is flushed with ethanol to enhance packing. This cycle is repeated numerous times to allow for a tightly packed channel of microbeads. Typical microbead packing occurs in the macroscale into tubes or channels by using highly pressurized systems. Moreover, these channels are typically long and straight without any turns or curves. On the other hand, this method of microbead packing is completed within a microchannel 75 micrometers in diameter. Moreover, the microbead packing is completed into a serpentine type microchannel, such that it maximizes microchannel length within a microchip. Doing so enhances the interactions of the analytes with the microbeads to separate efficiently amino acids and amino acid enantiomers.

Enabling Microliquid Chromatography by Microbead Packing of Microchannels

NASA Technical Reports Server (NTRS)

Balvin, Manuel; Zheng, Yun

2014-01-01

The microbead packing is the critical element required in the success of on-chip microfabrication of critical microfluidic components for in-situ analysis and detection of chiral amino acids. In order for microliquid chromatography to occur, there must be a stationary phase medium within the microchannel that interacts with the analytes present within flowing fluid. The stationary phase media are the microbeads packed by the process discussed in this work. The purpose of the microliquid chromatography is to provide a lightweight, low-volume, and low-power element to separate amino acids and their chiral partners efficiently to understand better the origin of life. In order to densely pack microbeads into the microchannels, a liquid slurry of microbeads was created. Microbeads were extracted from a commercially available high-performance liquid chromatography column. The silica beads extracted were 5 microns in diameter, and had surface coating of phenyl-hexyl. These microbeads were mixed with a 200- proof ethanol solution to create a microbead slurry with the right viscosity for packing. A microfilter is placed at the outlet via of the microchannel and the slurry is injected, then withdrawn across a filter using modified syringes. After each injection, the channel is flushed with ethanol to enhance packing. This cycle is repeated numerous times to allow for a tightly packed channel of microbeads. Typical microbead packing occurs in the macroscale into tubes or channels by using highly pressurized systems. Moreover, these channels are typically long and straight without any turns or curves. On the other hand, this method of microbead packing is completed within a microchannel 75 micrometers in diameter. Moreover, the microbead packing is completed into a serpentine type microchannel, such that it maximizes microchannel length within a microchip. Doing so enhances the interactions of the analytes with the microbeads to separate efficiently amino acids and amino acid enantiomers.

Improved packing of protein side chains with parallel ant colonies.

PubMed

Quan, Lijun; Lü, Qiang; Li, Haiou; Xia, Xiaoyan; Wu, Hongjie

2014-01-01

The accurate packing of protein side chains is important for many computational biology problems, such as ab initio protein structure prediction, homology modelling, and protein design and ligand docking applications. Many of existing solutions are modelled as a computational optimisation problem. As well as the design of search algorithms, most solutions suffer from an inaccurate energy function for judging whether a prediction is good or bad. Even if the search has found the lowest energy, there is no certainty of obtaining the protein structures with correct side chains. We present a side-chain modelling method, pacoPacker, which uses a parallel ant colony optimisation strategy based on sharing a single pheromone matrix. This parallel approach combines different sources of energy functions and generates protein side-chain conformations with the lowest energies jointly determined by the various energy functions. We further optimised the selected rotamers to construct subrotamer by rotamer minimisation, which reasonably improved the discreteness of the rotamer library. We focused on improving the accuracy of side-chain conformation prediction. For a testing set of 442 proteins, 87.19% of X1 and 77.11% of X12 angles were predicted correctly within 40° of the X-ray positions. We compared the accuracy of pacoPacker with state-of-the-art methods, such as CIS-RR and SCWRL4. We analysed the results from different perspectives, in terms of protein chain and individual residues. In this comprehensive benchmark testing, 51.5% of proteins within a length of 400 amino acids predicted by pacoPacker were superior to the results of CIS-RR and SCWRL4 simultaneously. Finally, we also showed the advantage of using the subrotamers strategy. All results confirmed that our parallel approach is competitive to state-of-the-art solutions for packing side chains. This parallel approach combines various sources of searching intelligence and energy functions to pack protein side chains. It provides a frame-work for combining different inaccuracy/usefulness objective functions by designing parallel heuristic search algorithms.

A structured vocabulary for indexing dietary supplements in databases in the United States

PubMed Central

Saldanha, Leila G; Dwyer, Johanna T; Holden, Joanne M; Ireland, Jayne D.; Andrews, Karen W; Bailey, Regan L; Gahche, Jaime J.; Hardy, Constance J; Møller, Anders; Pilch, Susan M.; Roseland, Janet M

2011-01-01

Food composition databases are critical to assess and plan dietary intakes. Dietary supplement databases are also needed because dietary supplements make significant contributions to total nutrient intakes. However, no uniform system exists for classifying dietary supplement products and indexing their ingredients in such databases. Differing approaches to classifying these products make it difficult to retrieve or link information effectively. A consistent approach to classifying information within food composition databases led to the development of LanguaL™, a structured vocabulary. LanguaL™ is being adapted as an interface tool for classifying and retrieving product information in dietary supplement databases. This paper outlines proposed changes to the LanguaL™ thesaurus for indexing dietary supplement products and ingredients in databases. The choice of 12 of the original 14 LanguaL™ facets pertinent to dietary supplements, modifications to their scopes, and applications are described. The 12 chosen facets are: Product Type; Source; Part of Source; Physical State, Shape or Form; Ingredients; Preservation Method, Packing Medium, Container or Wrapping; Contact Surface; Consumer Group/Dietary Use/Label Claim; Geographic Places and Regions; and Adjunct Characteristics of food. PMID:22611303

Pictorial cigarette pack warnings: a meta-analysis of experimental studies

PubMed Central

Noar, Seth M; Hall, Marissa G; Francis, Diane B; Ribisl, Kurt M; Pepper, Jessica K; Brewer, Noel T

2016-01-01

Objective To inform international research and policy, we conducted a meta-analysis of the experimental literature on pictorial cigarette pack warnings. Data sources We systematically searched 7 computerised databases in April 2013 using several search terms. We also searched reference lists of relevant articles. Study selection We included studies that used an experimental protocol to test cigarette pack warnings and reported data on both pictorial and text-only conditions. 37 studies with data on 48 independent samples (N=33 613) met criteria. Data extraction and synthesis Two independent coders coded all study characteristics. Effect sizes were computed from data extracted from study reports and were combined using random effects meta-analytic procedures. Results Pictorial warnings were more effective than text-only warnings for 12 of 17 effectiveness outcomes (all p<0.05). Relative to text-only warnings, pictorial warnings (1) attracted and held attention better; (2) garnered stronger cognitive and emotional reactions; (3) elicited more negative pack attitudes and negative smoking attitudes and (4) more effectively increased intentions to not start smoking and to quit smoking. Participants also perceived pictorial warnings as being more effective than text-only warnings across all 8 perceived effectiveness outcomes. Conclusions The evidence from this international body of literature supports pictorial cigarette pack warnings as more effective than text-only warnings. Gaps in the literature include a lack of assessment of smoking behaviour and a dearth of theory-based research on how warnings exert their effects. PMID:25948713

High-throughput ab-initio dilute solute diffusion database.

PubMed

Wu, Henry; Mayeshiba, Tam; Morgan, Dane

2016-07-19

We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt host lattices have been determined using multi-frequency diffusion models. We apply a correction method for solute diffusion in alloys using experimental and simulated values of host self-diffusivity. We find good agreement with experimental solute diffusion data, obtaining a weighted activation barrier RMS error of 0.176 eV when excluding magnetic solutes in non-magnetic alloys. The compiled database is the largest collection of consistently calculated ab-initio solute diffusion data in the world.

Transport, retention, and long-term release behavior of ZnO nanoparticle aggregates in saturated quartz sand: Role of solution pH and biofilm coating

USDA-ARS?s Scientific Manuscript database

The transport, retention, and long-term fate of zinc oxide nanoparticles (ZnO-NPs) were investigated in saturated, bare and biofilm (Pseudomonas putida) coated sand packed columns. Almost complete retention of ZnO-NPs occurred in bare and biofilm coated sand when the influent solution pH was 9 and t...

Applications of the Cambridge Structural Database in organic chemistry and crystal chemistry.

PubMed

Allen, Frank H; Motherwell, W D Samuel

2002-06-01

The Cambridge Structural Database (CSD) and its associated software systems have formed the basis for more than 800 research applications in structural chemistry, crystallography and the life sciences. Relevant references, dating from the mid-1970s, and brief synopses of these papers are collected in a database, DBUse, which is freely available via the CCDC website. This database has been used to review research applications of the CSD in organic chemistry, including supramolecular applications, and in organic crystal chemistry. The review concentrates on applications that have been published since 1990 and covers a wide range of topics, including structure correlation, conformational analysis, hydrogen bonding and other intermolecular interactions, studies of crystal packing, extended structural motifs, crystal engineering and polymorphism, and crystal structure prediction. Applications of CSD information in studies of crystal structure precision, the determination of crystal structures from powder diffraction data, together with applications in chemical informatics, are also discussed.

Integration of Oracle and Hadoop: Hybrid Databases Affordable at Scale

NASA Astrophysics Data System (ADS)

Canali, L.; Baranowski, Z.; Kothuri, P.

2017-10-01

This work reports on the activities aimed at integrating Oracle and Hadoop technologies for the use cases of CERN database services and in particular on the development of solutions for offloading data and queries from Oracle databases into Hadoop-based systems. The goal and interest of this investigation is to increase the scalability and optimize the cost/performance footprint for some of our largest Oracle databases. These concepts have been applied, among others, to build offline copies of CERN accelerator controls and logging databases. The tested solution allows to run reports on the controls data offloaded in Hadoop without affecting the critical production database, providing both performance benefits and cost reduction for the underlying infrastructure. Other use cases discussed include building hybrid database solutions with Oracle and Hadoop, offering the combined advantages of a mature relational database system with a scalable analytics engine.

Is consumer response to plain/standardised tobacco packaging consistent with framework convention on tobacco control guidelines? A systematic review of quantitative studies.

PubMed

Stead, Martine; Moodie, Crawford; Angus, Kathryn; Bauld, Linda; McNeill, Ann; Thomas, James; Hastings, Gerard; Hinds, Kate; O'Mara-Eves, Alison; Kwan, Irene; Purves, Richard I; Bryce, Stuart L

2013-01-01

Standardised or 'plain' tobacco packaging was introduced in Australia in December 2012 and is currently being considered in other countries. The primary objective of this systematic review was to locate, assess and synthesise published and grey literature relating to the potential impacts of standardised tobacco packaging as proposed by the guidelines for the international Framework Convention on Tobacco Control: reduced appeal, increased salience and effectiveness of health warnings, and more accurate perceptions of product strength and harm. Electronic databases were searched and researchers in the field were contacted to identify studies. Eligible studies were published or unpublished primary research of any design, issued since 1980 and concerning tobacco packaging. Twenty-five quantitative studies reported relevant outcomes and met the inclusion criteria. A narrative synthesis was conducted. Studies that explored the impact of package design on appeal consistently found that standardised packaging reduced the appeal of cigarettes and smoking, and was associated with perceived lower quality, poorer taste and less desirable smoker identities. Although findings were mixed, standardised packs tended to increase the salience and effectiveness of health warnings in terms of recall, attention, believability and seriousness, with effects being mediated by the warning size, type and position on pack. Pack colour was found to influence perceptions of product harm and strength, with darker coloured standardised packs generally perceived as containing stronger tasting and more harmful cigarettes than fully branded packs; lighter coloured standardised packs suggested weaker and less harmful cigarettes. Findings were largely consistent, irrespective of location and sample. The evidence strongly suggests that standardised packaging will reduce the appeal of packaging and of smoking in general; that it will go some way to reduce consumer misperceptions regarding product harm based upon package design; and will help make the legally required on-pack health warnings more salient.

Is Consumer Response to Plain/Standardised Tobacco Packaging Consistent with Framework Convention on Tobacco Control Guidelines? A Systematic Review of Quantitative Studies

PubMed Central

Stead, Martine; Moodie, Crawford; Angus, Kathryn; Bauld, Linda; McNeill, Ann; Thomas, James; Hastings, Gerard; Hinds, Kate; O'Mara-Eves, Alison; Kwan, Irene; Purves, Richard I.; Bryce, Stuart L.

2013-01-01

Background and Objectives Standardised or ‘plain’ tobacco packaging was introduced in Australia in December 2012 and is currently being considered in other countries. The primary objective of this systematic review was to locate, assess and synthesise published and grey literature relating to the potential impacts of standardised tobacco packaging as proposed by the guidelines for the international Framework Convention on Tobacco Control: reduced appeal, increased salience and effectiveness of health warnings, and more accurate perceptions of product strength and harm. Methods Electronic databases were searched and researchers in the field were contacted to identify studies. Eligible studies were published or unpublished primary research of any design, issued since 1980 and concerning tobacco packaging. Twenty-five quantitative studies reported relevant outcomes and met the inclusion criteria. A narrative synthesis was conducted. Results Studies that explored the impact of package design on appeal consistently found that standardised packaging reduced the appeal of cigarettes and smoking, and was associated with perceived lower quality, poorer taste and less desirable smoker identities. Although findings were mixed, standardised packs tended to increase the salience and effectiveness of health warnings in terms of recall, attention, believability and seriousness, with effects being mediated by the warning size, type and position on pack. Pack colour was found to influence perceptions of product harm and strength, with darker coloured standardised packs generally perceived as containing stronger tasting and more harmful cigarettes than fully branded packs; lighter coloured standardised packs suggested weaker and less harmful cigarettes. Findings were largely consistent, irrespective of location and sample. Conclusions The evidence strongly suggests that standardised packaging will reduce the appeal of packaging and of smoking in general; that it will go some way to reduce consumer misperceptions regarding product harm based upon package design; and will help make the legally required on-pack health warnings more salient. PMID:24146791

High-throughput ab-initio dilute solute diffusion database

PubMed Central

Wu, Henry; Mayeshiba, Tam; Morgan, Dane

2016-01-01

We demonstrate automated generation of diffusion databases from high-throughput density functional theory (DFT) calculations. A total of more than 230 dilute solute diffusion systems in Mg, Al, Cu, Ni, Pd, and Pt host lattices have been determined using multi-frequency diffusion models. We apply a correction method for solute diffusion in alloys using experimental and simulated values of host self-diffusivity. We find good agreement with experimental solute diffusion data, obtaining a weighted activation barrier RMS error of 0.176 eV when excluding magnetic solutes in non-magnetic alloys. The compiled database is the largest collection of consistently calculated ab-initio solute diffusion data in the world. PMID:27434308

Testing in Service-Oriented Environments

DTIC Science & Technology

2010-03-01

software releases (versions, service packs, vulnerability patches) for one com- mon ESB during the 13-month period from January 1, 2008 through...impact on quality of service : Unlike traditional software compo- nents, a single instance of a web service can be used by multiple consumers. Since the...distributed, with heterogeneous hardware and software (SOA infrastructure, services , operating systems, and databases). Because of cost and security, it

Phynx: an open source software solution supporting data management and web-based patient-level data review for drug safety studies in the general practice research database and other health care databases.

PubMed

Egbring, Marco; Kullak-Ublick, Gerd A; Russmann, Stefan

2010-01-01

To develop a software solution that supports management and clinical review of patient data from electronic medical records databases or claims databases for pharmacoepidemiological drug safety studies. We used open source software to build a data management system and an internet application with a Flex client on a Java application server with a MySQL database backend. The application is hosted on Amazon Elastic Compute Cloud. This solution named Phynx supports data management, Web-based display of electronic patient information, and interactive review of patient-level information in the individual clinical context. This system was applied to a dataset from the UK General Practice Research Database (GPRD). Our solution can be setup and customized with limited programming resources, and there is almost no extra cost for software. Access times are short, the displayed information is structured in chronological order and visually attractive, and selected information such as drug exposure can be blinded. External experts can review patient profiles and save evaluations and comments via a common Web browser. Phynx provides a flexible and economical solution for patient-level review of electronic medical information from databases considering the individual clinical context. It can therefore make an important contribution to an efficient validation of outcome assessment in drug safety database studies.

Laser-Printed In-Plane Micro-Supercapacitors: From Symmetric to Asymmetric Structure.

PubMed

Huang, Gui-Wen; Li, Na; Du, Yi; Feng, Qing-Ping; Xiao, Hong-Mei; Wu, Xing-Hua; Fu, Shao-Yun

2018-01-10

Here, we propose and demonstrate a complete solution for efficiently fabricating in-plane micro-supercapacitors (MSCs) from a symmetric to asymmetric structure. By using an original laser printing process, symmetric MSC with reduced graphene oxide (rGO)/silver nanowire (Ag-NW) hybrid electrodes was facilely fabricated and a high areal capacitance of 5.5 mF cm -2 was achieved, which reaches the best reports on graphene-based MSCs. More importantly, a "print-and-fold" method has been creatively proposed that enabled the rapid manufacturing of asymmetric in-plane MSCs beyond the traditional cumbersome technologies. α-Ni(OH) 2 particles with high tapping density were successfully synthesized and employed as the pseudocapacitive material. Consequently, an improved supply voltage of 1.5 V was obtained and an areal capacitance as high as 8.6 mF cm -2 has been realized. Moreover, a demonstration of a miniaturized MSC pack was performed by multiply-folding the serial Ag-NW-connected MSC units. As a result, a compact MSC pack with a high supply voltage of 3 V was obtained, which can be utilized to power a light-emitting diode light. These presented technologies may pave the way for the efficiently producing high performance in-plane MSCs, meanwhile offering a solution for the achievement of practical power supply packs integrated in limited spaces.

Solution Kinetics Database on the Web

National Institute of Standards and Technology Data Gateway

SRD 40 NDRL/NIST Solution Kinetics Database on the Web (Web, free access)   Data for free radical processes involving primary radicals from water, inorganic radicals and carbon-centered radicals in solution, and singlet oxygen and organic peroxyl radicals in various solvents.

Er:YLF-laser microperforation of the nail plate for drug delivery

NASA Astrophysics Data System (ADS)

Belikov, Andrey V.; Skrypnik, Alexei V.; Sergeev, Andrey N.; Smirnov, Sergey N.; Tavalinskaya, Anastasia D.

2018-04-01

Laser microperforation of a human nail plate is an effective method to increase the speed of local drugs delivery in the treatment of nail diseases. In this paper we present the study results of the influence of spatial parameters of Er:YLFlaser- produced microhole array in human nail plate (the diameter of microholes and their packing density) on the rate (vsp) of 0.25 % water-alcohol solution of methylene blue penetration through a single microhole and on the time (Tmp) required for uniform distribution of this drug under the nail plate. In experiments, the diameter of microholes was 220 +/- 10 μm, 300 +/- 10 μm or 350 +/- 10 μm. The packing density for microholes of each of these diameters was 100 μholes/cm2, 400 μholes/cm2 and 950 μholes/cm2. It is shown that vsp is mainly determined by the microhole diameter, and the packing density does not have a significant influence on it. It was experimentally established that the rate vsp is maximal for microholes with 350 μm diameter at packing density of 950 μholes/cm2 and reaches a value of 6.3 μm/s, and the time Tmp is minimal and equal to 180 +/- 10 s at the same values of microhole diameter and packing density.

Adolescents' Responses to Pictorial Warnings on Their Parents' Cigarette Packs

PubMed Central

Peebles, Kathryn; Hall, Marissa G.; Pepper, Jessica K.; Byron, M. Justin; Noar, Seth M.; Brewer, Noel T.

2016-01-01

Purpose Pictorial cigarette pack warnings are a promising policy solution to increase smoking cessation among adults. However, little is known regarding adolescents' responses to pictorial warnings, particularly in real-world settings. Methods Participants were 112 adolescent children, ages 13–17, whose parents received either text-only warnings on the side of their cigarette packs or pictorial warnings on the top half of the front and back of their cigarette packs for 4 weeks as part of a trial. We measured adolescents' recall and recognition of these warnings, negative emotional reactions to the warnings, perceived effectiveness of the warnings, social interactions about the warnings, and smoking risk beliefs. Results Adolescents accurately recalled pictorial warnings more often than text-only warnings (82% vs. 19%, p < .001). Recognition of warnings was also higher for pictorial than text-only warnings (82% vs. 34%, p < .001). Pictorial warnings drew greater attention (p < .001), elicited greater negative emotional reactions (p < .05), and sparked more social interactions (p < .01) than text-only warnings. Conclusions Pictorial warnings on cigarette packs may have important effects on adolescent children of smokers. Future research should further investigate the impact of such messages on adolescents' susceptibility to smoking initiation and interest in quitting smoking, particularly as the United States and other countries work to implement pictorial warning regulations. PMID:27646499

Experimental Analysis of Algorithms.

DTIC Science & Technology

1987-12-01

solution ratio in the Bin Packing study) were suggested by theoretical analysis. Gnanadesikan and Gustafson [16] note that significantly different sizes...34’ [16] M. Gnanadesikan and H. W. Gustafson. * Properties of Performance Measures. 1985. Summary of poster presentation. Gnanadesikan is at Farleigh

Pharmacy on Demand Feasibility Assessment

DTIC Science & Technology

2008-07-19

We have successfully carried out the first two steps of the ibuprofen synthesis in our microreactor using homogeneous reactions in a continuous...Average of two trials. c Average of three trials. d Using a 0.25 M stock solution of isobutylbenzene. e Using a 0.5 M stock solution of...the creation of a packed-bed microreactor is the preparation of the solid-supported reagent. We have previously demonstrated that the performance

Enhanced desalination performance of membrane capacitive deionization cells by packing the flow chamber with granular activated carbon.

PubMed

Bian, Yanhong; Yang, Xufei; Liang, Peng; Jiang, Yong; Zhang, Changyong; Huang, Xia

2015-11-15

A new design of membrane capacitive deionization (MCDI) cell was constructed by packing the cell's flow chamber with granular activated carbon (GAC). The GAC packed-MCDI (GAC-MCDI) delivered higher (1.2-2.5 times) desalination rates than the regular MCDI at all test NaCl concentrations (∼ 100-1000 mg/L). The greatest performance enhancement by packed GAC was observed when treating saline water with an initial NaCl concentration of 100 mg/L. Several different GAC materials were tested and they all exhibited similar enhancement effects. Comparatively, packing the MCDI's flow chamber with glass beads (GB; non-conductive) and graphite granules (GG; conductive but with lower specific surface area than GAC) resulted in inferior desalination performance. Electrochemical impedance spectroscopy (EIS) analysis showed that the GAC-MCDI had considerably smaller internal resistance than the regular MCDI (∼ 19.2 ± 1.2 Ω versus ∼ 1222 ± 15 Ω at 100 mg/L NaCl). The packed GAC also decreased the ionic resistance across the flow chamber (∼ 1.49 ± 0.05 Ω versus ∼ 1130 ± 12 Ω at 100 mg/L NaCl). The electric double layer (EDL) formed on the GAC surface was considered to store salt ions during electrosorption, and facilitate the ion transport in the flow chamber because of the higher ion conductivity in the EDLs than in the bulk solution, thereby enhancing the MCDI's desalination rate. Copyright © 2015 Elsevier Ltd. All rights reserved.

The Role of IMAT Solutions for Training Development at the Royal Netherlands Air Force. IMAT Follow-up Research Part 1

DTIC Science & Technology

2005-09-01

e.g. the transformation of a fragment to an instructional fragment. "* IMAT Database: A Jasmine ® database is used as central database in IMAT for the...storage of fragments. This is an object-oriented relational database. Jasmine ® was, amongst other factors, chosen for its ability to handle multimedia...to the Jasmine ® database, which is used in IMAT as central database. 3.1.1.1 Ontologies In IMAT, the proposed solution on problems with information

Laundry pack exposures in children 0-5 years evaluated at a single pediatric institution.

PubMed

Yin, Shan; Behrman, Alysha; Colvin, Jonathan

2015-05-01

Case reports and poison center series have highlighted increased safety concerns with laundry packs, especially when compared to traditional laundry detergents. The purpose of this study was to examine the clinical experience with laundry pack exposures at a single institution. A retrospective chart review was performed for exposures to laundry packs seen at a single tertiary care children's hospital medical center. Cases were identified by searching the poison center database for exposures to laundry products from March 2012 to October 2013 in children <5 years old. Medical records were reviewed for all identified cases. Data collected included demographics, treatments, laboratory and radiology data, disposition, and length of stay in the emergency department (ED). Forty cases were included. Thirty-two were ingestions and eight were ocular exposures. Nine children were admitted, two of which were admitted to a critical care unit. Seven other children were discharged after 1-night admissions; none received any treatments after initial ED treatment. Of these, four children were admitted for the possibility of central nervous system (CNS) depression, but none showed any progression. Twenty-nine children with ingestions were discharged directly from the ED. No children had progression of CNS symptoms. Children discharged from the ED were observed a mean of 189 min. Cases of laundry pack exposures seen at our institution were similar to cases described by US poison centers. No child had progression of CNS depression suggesting that prolonged observation is not necessary if the child does not have CNS depression at presentation. Copyright © 2015 Elsevier Inc. All rights reserved.

Pictorial cigarette pack warnings: a meta-analysis of experimental studies.

PubMed

Noar, Seth M; Hall, Marissa G; Francis, Diane B; Ribisl, Kurt M; Pepper, Jessica K; Brewer, Noel T

2016-05-01

To inform international research and policy, we conducted a meta-analysis of the experimental literature on pictorial cigarette pack warnings. We systematically searched 7 computerised databases in April 2013 using several search terms. We also searched reference lists of relevant articles. We included studies that used an experimental protocol to test cigarette pack warnings and reported data on both pictorial and text-only conditions. 37 studies with data on 48 independent samples (N=33,613) met criteria. Two independent coders coded all study characteristics. Effect sizes were computed from data extracted from study reports and were combined using random effects meta-analytic procedures. Pictorial warnings were more effective than text-only warnings for 12 of 17 effectiveness outcomes (all p<0.05). Relative to text-only warnings, pictorial warnings (1) attracted and held attention better; (2) garnered stronger cognitive and emotional reactions; (3) elicited more negative pack attitudes and negative smoking attitudes and (4) more effectively increased intentions to not start smoking and to quit smoking. Participants also perceived pictorial warnings as being more effective than text-only warnings across all 8 perceived effectiveness outcomes. The evidence from this international body of literature supports pictorial cigarette pack warnings as more effective than text-only warnings. Gaps in the literature include a lack of assessment of smoking behaviour and a dearth of theory-based research on how warnings exert their effects. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://www.bmj.com/company/products-services/rights-and-licensing/

Responsive copolymers for enhanced petroleum recovery. Final report

DOE Office of Scientific and Technical Information (OSTI.GOV)

NONE

This report describes the development of new synthetic polymers to be used in petroleum recovery. The solution behavior and rheology properties, as well as new techniques for measuring extensional flow behavior under controlled conditions in packed bed geometries is described.

[Hemapheresis using vesicular plant separation materials].

PubMed

Mavrina, L; Ehwald, R; Matthes, G; Stamminger, G

1990-01-01

The present paper deals with the separation of cells from soluble compounds of blood by means of exclusion chromatography using a recently described vesicular packing material made from the cell wall framework of the small duckweed Wolffia arrhiza. The cells of the periphere blood are hardly retarded in passing through a packing of the vesicular material and eluted as sharp peak at an elution volume which is near to 30% of the column volume. The behavior of cells is similar to that of the excluded high molecular weight plasma proteins (e.g. serumalbumin). Low molecular weight solutes (e.g. salts, glucose, urea, kreatinin), but also substances of considerable molecular weight (e.g. myoglobin and Vitamin B12) which are usually difficult to separate by dialysis from serum, are eluted at nearly 100% of the packing volume and may be separated completely from cells and high molecular weight proteins. In vitro-Tests did not show a reduced vitality of eluted blood cells.

Bidisperse silica nanoparticles close-packed monolayer on silicon substrate by three step spin method

NASA Astrophysics Data System (ADS)

Khanna, Sakshum; Marathey, Priyanka; Utsav, Chaliawala, Harsh; Mukhopadhyay, Indrajit

2018-05-01

We present the studies on the structural properties of monolayer Bidisperse silica (SiO2) nanoparticles (BDS) on Silicon (Si-100) substrate using spin coating technique. The Bidisperse silica nanoparticle was synthesised by the modified sol-gel process. Nanoparticles on the substrate are generally assembled in non-close/close-packed monolayer (CPM) form. The CPM form is obtained by depositing the colloidal suspension onto the silicon substrate using complex techniques. Here we report an effective method for forming a monolayer of bidisperse silica nanoparticle by three step spin coating technique. The samples were prepared by mixing the monodisperse solutions of different particles size 40 and 100 nm diameters. The bidisperse silica nanoparticles were self-assembled on the silicon substrate forming a close-packed monolayer film. The scanning electron microscope images of bidisperse films provided in-depth film structure of the film. The maximum surface coverage obtained was around 70-80%.

Mineral and sensory profile of seasoned cracked olives packed in diverse salt mixtures.

PubMed

Moreno-Baquero, J M; Bautista-Gallego, J; Garrido-Fernández, A; López-López, A

2013-05-01

This work studies the effect of packing cracked seasoned olives with NaCl, KCl, and CaCl(2) mixture brines on their mineral nutrients and sensory attributes, using RSM methodology. The Na, K, Ca, and residual natural Mn contents in flesh as well as saltiness, bitterness and fibrousness were significantly related to the initial concentrations of salts in the packing solution. This new process led to table olives with a significantly lower sodium content (about 31%) than the traditional product but fortified in K and Ca. High levels of Na and Ca in the flesh led to high scores of acidity and saltiness (the first descriptor) and bitterness (the second) while the K content was unrelated to any sensory descriptor. The new presentations using moderate proportions of alternative salts will therefore have improved nutritional value and healthier characteristics but only a slightly modified sensory profile. Copyright © 2012 Elsevier Ltd. All rights reserved.

Fundamental studies of chalcogenide nanocrystals, carbonaceous nanoparticles, and chromatographic materials

NASA Astrophysics Data System (ADS)

Baker, Jared Scott

2011-12-01

The development of novel nanomaterials and the understanding of their fundamental physical and chemical properties represent an exciting area of research. These materials are continuously being sought for ever-increasing applications; finding their way into uses that influence mankind on a daily basis. Combining elements from traditional nanoparticle characterization with electrophoretic-based techniques, this dissertation presents the analysis of carbon nanoparticles (CNPs) generated from a novel source (candle soot) as well as a unique perspective on the reactivity and degradation process of magic-sized cadmium chalcogenide nanocrystals. One potential application of CNPs is their use as an alternative fluorophore in a separation-based sensor system. Laser-induced-fluorescence (LIF) is a commonly used manner of detection in this type of platform, but is limited in many cases by problems associated with the fluorophore. Carbon-based nanoparticles have the potential to improve upon traditional fluorophores in applications that make use of LIF as the detection scheme. CNPs were extracted from the carbonaceous material produced by the incomplete combustion of a candle. The soot was submitted to an oxidizing treatment and extraction/filtration procedures rendering watersoluble luminescent species. Electron microscopy was used to identify globular, amorphous structures in the nanometer size-range. An aqueous suspension of CNPs demonstrated excellent stability in terms of its electronic properties, showing little change in absorption and emission spectra upon storage under ambient conditions over a two-year period. Capitalizing on the strengths of capillary electrophoresis (CE) as a characterization technique, we have analyzed the negatively-charged CNPs in terms of charge and size by studying the influence of variable CE conditions on the resulting separation. Separations at different pH revealed a highly complex mixture of CNPs, containing species with large electrophoretic mobilities under a wide range of pH values. The mobility of these nanoparticles as a function of ionic strength was compared to classical electrokinetic theory, suggesting that the species are small, highly charged particles with appreciable zeta potentials, even at low pH. In an attempt to reduce the complexity of the CNP solution, two molecular-weight based fractionation techniques were employed and evaluated. Traditional dialysis and ultracentrifugation filtration techniques were modified to generate multiple CNPs fractions based on size. Analysis of the fractions by absorption and photoluminescence spectroscopy as well as CE revealed specific characteristics for a given sized-fraction. Namely, a strong correlation between the size of the CNPs and their luminescent emission was observed. CE was utilized to characterize each fraction and to ultimately judge the effectiveness of the fractionation techniques. The characterization of the persistence and degradation of magic-sized CdSe nanocrystals (NCs) after their removal from the original reaction mixture and dispersion into basic aqueous solutions was performed by absorption spectroscopy. NCs degraded after dilution into aqueous NaOH, resulting in red-shifted excitonic absorption bands and eventual flocculation. Dilution of NCs into basic aqueous solutions of cysteinate resulted in degradation via a different mechanism with an absence of flocculation; kinetics varied with concentration of cysteinate. The chemical fate of NCs after dilution into basic aqueous solutions containing both Cd2+ and cysteinate varied with the cysteinate-to-Cd 2+ molar ratio, which determined the relative solute mole fractions of various Cd2+-cysteinate complexes. CdSe NCs persisted on long timescales only when dispersed in solutions containing [Cd(cysteinate) 3]4-. Equilibria are presented to account for the observed spectral changes after dilution of CdSe into various basic media. Cadmium(II)-cysteinate complex-formation equilibria influenced the temporal persistence of the nanocrystals; the pathway through which CdSe NCs degraded depended on the concentration of free, uncoordinated cysteinate. These findings indicate that solution-phase chemistry can determine whether NCs remain intact upon removal from their original reaction mixtures. Departing from the analysis of nanomaterials, an additional chapter focuses on the evaluation of a new chromatographic packing material. Two chromatographic columns packed with superficially porous packing material, Kinetex(TM) 1.7 mum and 2.6 mum C18 particles were evaluated in terms of their physical properties and performance characteristics. These columns were compared to a column packed with a sub-2 mum totally porous material and to a Halo(TM) column packed with 2.7 mum C18 superficially porous packing. The columns packed with superficially porous particles displayed a comparably narrower size distribution, which is narrower than the distribution of the totally porous sub-2 mum particles. Physical characteristics of the Kinetex(TM) particles were evaluated in terms of surface area, pore diameter, and specific pore volume. Total, external, internal and shell porosities among the four different columns were evaluated and compared. The specific permeability for the Kinetex columns showed values close to those predicted by the Kozeny-Carman equation. All four columns were evaluated in terms of their chromatographic performance and compared using the Knox equation. The columns packed with the 2.6 mum and 2.7 mum superficially porous materials showed reduced plate heights below 2, while the sub-2 mum particles showed values of 2.2 and above.

On-line packed magnetic in-tube solid phase microextraction of acidic drugs such as naproxen and indomethacin by using Fe3O4@SiO2@layered double hydroxide nanoparticles with high anion exchange capacity.

PubMed

Shamsayei, Maryam; Yamini, Yadollah; Asiabi, Hamid; Safari, Meysam

2018-02-22

The authors describe a 3-component nanoparticle system composed of a silica-coated magnetite (Fe 3 O 4 ) core and a layered double (Cu-Cr) hydroxide nanoplatelet shell. The sorbent has a high anion exchange capacity for extraction anionic species. A simple online system, referred to as "on-line packed magnetic-in-tube solid phase microextraction" was designed. The nanoparticles were placed in a stainless steel cartridge via dry packing. The cartridge was then applied to the preconcentration acidic drugs including naproxen and indomethacin from urine and plasma. Extraction and desorption times, pH values of the sample solution and flow rates of sample solution and eluent were optimized. Analytes were then quantified by HPLC with UV detection. Under optimal conditions, the limits of detection range from 70 to 800 ng L -1 , with linear responses from 0.1-500 μg L -1 (water samples), 0.6-500 μg L -1 (spiked urine), and 0.9-500 μg L -1 (spiked plasma). The inter- and intra-assay precisions (RSDs, for n = 5) are in the range of 2.2-5.4%, 2.8-4.9%, and 2.0-5.2% at concentration levels of 5, 25 and 50 μg L -1 , respectively. The method was applied to the analysis of the drugs in spiked human urine and plasma, and good results were achieved. Graphical abstract Fe 3 O 4 @SiO 2 @CuCr-LDH magnetic nanoparticles were synthesized and packed in to a stainless steel column. The column was applied to solid phase microextraction of acidic drugs from biological samples.

Hydration shell parameters of aqueous alcohols: THz excess absorption and packing density.

PubMed

Matvejev, V; Zizi, M; Stiens, J

2012-12-06

Solvation in water requires minimizing the perturbations in its hydrogen bonded network. Hence solutes distort water molecular motions in a surrounding domain, forming a molecule-specific hydration shell. The properties of those hydration shells impact the structure and function of the solubilized molecules, both at the single molecule and at higher order levels. The size of the hydration shell and the picoseconds time-scale water dynamics retardation are revealed by terahertz (THz) absorption coefficient measurements. Room-temperature absorption coefficient at f = 0.28 [THz] is measured as a function of alcohol concentration in aqueous methanol, ethanol, 1,2-propanol, and 1-butanol solutions. Highly diluted alcohol measurements and enhanced overall measurement accuracy are achieved with a THz absorption measurement technique of nL-volume liquids in a capillary tube. In the absorption analysis, bulk and interfacial molecular domains of water and alcohol are considered. THz ideal and excess absorption coefficients are defined in accordance with thermodynamics mixing formulations. The parameter extraction method is developed based on a THz excess absorption model and hydrated solute molecule packing density representation. First, the hydration shell size is deduced from the hydrated solute packing densities at two specific THz excess absorption nonlinearity points: at infinite alcohol dilution (IAD) and at the THz excess absorption extremum (EAE). Consequently, interfacial water and alcohol molecular domain absorptions are deduced from the THz excess absorption model. The hydration shell sizes obtained at the THz excess absorption extremum are in excellent agreement with other reports. The hydration shells of methanol, ethanol, 1- and 2-propanol consist of 13.97, 22.94, 22.99, and 31.10 water molecules, respectively. The hydration shell water absorption is on average 0.774 ± 0.028 times the bulk water absorption. The hydration shell parameters might shed light on hydration dynamics of biomolecules.

Building America Top Innovations 2014 Profile: Cost-Optimized Attic Insulation Solution for Factory-Built Homes

DOE Office of Scientific and Technical Information (OSTI.GOV)

none,

This 2014 Top Innovation profile describes a low-cost, low-tech attic insulation technique developed by the ARIES Building America team with help from Southern Energy Homes and Johns Manville. Increasing attic insulation in manufactured housing has been a significant challenge due to cost, production and transportation constraints. The simplicity of this dense-pack solution to increasing attic insulation R-value promises real hope for widespread industry adoption.

Improved packing of protein side chains with parallel ant colonies

PubMed Central

2014-01-01

Introduction The accurate packing of protein side chains is important for many computational biology problems, such as ab initio protein structure prediction, homology modelling, and protein design and ligand docking applications. Many of existing solutions are modelled as a computational optimisation problem. As well as the design of search algorithms, most solutions suffer from an inaccurate energy function for judging whether a prediction is good or bad. Even if the search has found the lowest energy, there is no certainty of obtaining the protein structures with correct side chains. Methods We present a side-chain modelling method, pacoPacker, which uses a parallel ant colony optimisation strategy based on sharing a single pheromone matrix. This parallel approach combines different sources of energy functions and generates protein side-chain conformations with the lowest energies jointly determined by the various energy functions. We further optimised the selected rotamers to construct subrotamer by rotamer minimisation, which reasonably improved the discreteness of the rotamer library. Results We focused on improving the accuracy of side-chain conformation prediction. For a testing set of 442 proteins, 87.19% of X1 and 77.11% of X12 angles were predicted correctly within 40° of the X-ray positions. We compared the accuracy of pacoPacker with state-of-the-art methods, such as CIS-RR and SCWRL4. We analysed the results from different perspectives, in terms of protein chain and individual residues. In this comprehensive benchmark testing, 51.5% of proteins within a length of 400 amino acids predicted by pacoPacker were superior to the results of CIS-RR and SCWRL4 simultaneously. Finally, we also showed the advantage of using the subrotamers strategy. All results confirmed that our parallel approach is competitive to state-of-the-art solutions for packing side chains. Conclusions This parallel approach combines various sources of searching intelligence and energy functions to pack protein side chains. It provides a frame-work for combining different inaccuracy/usefulness objective functions by designing parallel heuristic search algorithms. PMID:25474164

PALLADIUM-FACILITATED ELECTROLYTIC DECHLORINATION OF 2-CHLOROBIPHENYL USING A GRANULAR-GRAPHITE ELECTRODE.

EPA Science Inventory

Palladium-assisted electrocatalytic dechlorination of 2-chlorobiphenyl (2-Cl BP) in aqueous solutions was conducted in a membrane-separated electrochemical reactor with granular-graphite packed electrodes. The dechlorination took place at a granular-graphite cathode while Pd was ...

Radiative-Transfer Modeling of Spectra of Densely Packed Particulate Media

NASA Astrophysics Data System (ADS)

Ito, G.; Mishchenko, M. I.; Glotch, T. D.

2017-12-01

Remote sensing measurements over a wide range of wavelengths from both ground- and space-based platforms have provided a wealth of data regarding the surfaces and atmospheres of various solar system bodies. With proper interpretations, important properties, such as composition and particle size, can be inferred. However, proper interpretation of such datasets can often be difficult, especially for densely packed particulate media with particle sizes on the order of wavelength of light being used for remote sensing. Radiative transfer theory has often been applied to the study of densely packed particulate media like planetary regoliths and snow, but with difficulty, and here we continue to investigate radiative transfer modeling of spectra of densely packed media. We use the superposition T-matrix method to compute scattering properties of clusters of particles and capture the near-field effects important for dense packing. Then, the scattering parameters from the T-matrix computations are modified with the static structure factor correction, accounting for the dense packing of the clusters themselves. Using these corrected scattering parameters, reflectance (or emissivity via Kirchhoff's Law) is computed with the method of invariance imbedding solution to the radiative transfer equation. For this work we modeled the emissivity spectrum of the 3.3 µm particle size fraction of enstatite, representing some common mineralogical and particle size components of regoliths, in the mid-infrared wavelengths (5 - 50 µm). The modeled spectrum from the T-matrix method with static structure factor correction using moderate packing densities (filling factors of 0.1 - 0.2) produced better fits to the laboratory measurement of corresponding spectrum than the spectrum modeled by the equivalent method without static structure factor correction. Future work will test the method of the superposition T-matrix and static structure factor correction combination for larger particles sizes and polydispersed clusters in search for the most effective modeling of spectra of densely packed particulate media.

Desorption of CO{sub 2} from MDEA and activated MDEA solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu, G.W.; Zhang, C.F.; Qin, S.J.

1995-03-01

A packed column was used for investigating the desorption rate of CO{sub 2} from aqueous methyldiethanolamine (MDEA) and activated MDEA solutions. Experiments were conducted within the temperature range 30--70 C, the concentration of MDEA was 4.28 kmol/m{sup 3}, and the concentration of piperazine (PZ) was 0.10 kmol/m{sup 3} for aqueous activated MDEA solutions. Experimental data confirmed that the kinetics model of absorption CO{sub 2} into aqueous MDEA and activated MDEA solutions can be applicable to the situations in which desorption occurs, and the desorption rate of model predictions agree well with that of experimental determination.

Salting out of methane by sodium chloride: A scaled particle theory study.

PubMed

Graziano, Giuseppe

2008-08-28

The salting out of methane by adding NaCl to water at 25 degrees C and 1 atm is investigated by calculating the work of cavity creation by means of scaled particle theory and the methane-solvent energy of attraction. The latter quantity changes to little extent on passing from pure water to an aqueous 4M NaCl solution, whereas the magnitude of the work of cavity creation increases significantly, accounting for the salting out effect. There is quantitative agreement between the experimental values of the hydration Gibbs energy and the calculated ones. The behavior of the work of cavity creation is due to the increase in the volume packing density of NaCl solutions, since the average effective molecular diameter does not change, being always 2.80 A. The same approach allows the rationalization of the difference in methane salting out along the alkali chloride series. These results indicate that, fixed the aqueous solution density, the solubility of nonpolar species is mainly determined by the effective diameter of solvent molecules and the corresponding volume packing density. There is no need to take into account the H-bond rearrangement because it is characterized by an almost complete enthalpy-entropy compensation.

The Histone Database: an integrated resource for histones and histone fold-containing proteins

PubMed Central

Mariño-Ramírez, Leonardo; Levine, Kevin M.; Morales, Mario; Zhang, Suiyuan; Moreland, R. Travis; Baxevanis, Andreas D.; Landsman, David

2011-01-01

Eukaryotic chromatin is composed of DNA and protein components—core histones—that act to compactly pack the DNA into nucleosomes, the fundamental building blocks of chromatin. These nucleosomes are connected to adjacent nucleosomes by linker histones. Nucleosomes are highly dynamic and, through various core histone post-translational modifications and incorporation of diverse histone variants, can serve as epigenetic marks to control processes such as gene expression and recombination. The Histone Sequence Database is a curated collection of sequences and structures of histones and non-histone proteins containing histone folds, assembled from major public databases. Here, we report a substantial increase in the number of sequences and taxonomic coverage for histone and histone fold-containing proteins available in the database. Additionally, the database now contains an expanded dataset that includes archaeal histone sequences. The database also provides comprehensive multiple sequence alignments for each of the four core histones (H2A, H2B, H3 and H4), the linker histones (H1/H5) and the archaeal histones. The database also includes current information on solved histone fold-containing structures. The Histone Sequence Database is an inclusive resource for the analysis of chromatin structure and function focused on histones and histone fold-containing proteins. Database URL: The Histone Sequence Database is freely available and can be accessed at http://research.nhgri.nih.gov/histones/. PMID:22025671

Delta inulin: a novel, immunologically active, stable packing structure comprising β-D-[2 -> 1] poly(fructo-furanosyl) α-D-glucose polymers.

PubMed

Cooper, Peter D; Petrovsky, Nikolai

2011-05-01

We report a novel isoform of β-D-[2 → 1] poly(fructo-furanosyl) α-D-glucose termed delta inulin (DI), comparing it with previously described alpha (AI), beta (BI) and gamma (GI) isoforms. In vitro, DI is the most immunologically active weight/weight in human complement activation and in binding to monocytes and regulating their chemokine production and cell surface protein expression. In vivo, this translates into potent immune adjuvant activity, enhancing humoral and cellular responses against co-administered antigens. As a biocompatible polysaccharide particle, DI is safe and well tolerated by subcutaneous or intramuscular injection. Physico-chemically, DI forms as an insoluble precipitate from an aqueous solution of suitable AI, BI or GI held at 37-48°C, whereas the precipitate from the same solution at lower temperatures has the properties of AI or GI. DI can also be produced by heat conversion of GI suspensions at 56°C, whereas GI is converted from AI at 45°C. DI is distinguished from GI by its higher temperature of solution in dilute aqueous suspension and by its lower solubility in dimethyl sulfoxide, both consistent with greater hydrogen bonding in DI's polymer packing structure. DI suspensions can be dissolved by heat, re-precipitated by cooling as AI and finally re-converted back to DI by repeated heat treatment. Thus, DI, like the previously described inulin isoforms, reflects the formation of a distinct polymer aggregate packing structure via reversible noncovalent bonding. DI forms the basis for a potent new human vaccine adjuvant and further swells the growing family of carbohydrate structures with immunological activity.

RT DDA: A hybrid method for predicting the scattering properties by densely packed media

NASA Astrophysics Data System (ADS)

Ramezan Pour, B.; Mackowski, D.

2017-12-01

The most accurate approaches to predicting the scattering properties of particulate media are based on exact solutions of the Maxwell's equations (MEs), such as the T-matrix and discrete dipole methods. Applying these techniques for optically thick targets is challenging problem due to the large-scale computations and are usually substituted by phenomenological radiative transfer (RT) methods. On the other hand, the RT technique is of questionable validity in media with large particle packing densities. In recent works, we used numerically exact ME solvers to examine the effects of particle concentration on the polarized reflection properties of plane parallel random media. The simulations were performed for plane parallel layers of wavelength-sized spherical particles, and results were compared with RT predictions. We have shown that RTE results monotonically converge to the exact solution as the particle volume fraction becomes smaller and one can observe a nearly perfect fit for packing densities of 2%-5%. This study describes the hybrid technique composed of exact and numerical scalar RT methods. The exact methodology in this work is the plane parallel discrete dipole approximation whereas the numerical method is based on the adding and doubling method. This approach not only decreases the computational time owing to the RT method but also includes the interference and multiple scattering effects, so it may be applicable to large particle density conditions.

Adolescents' Responses to Pictorial Warnings on Their Parents' Cigarette Packs.

PubMed

Peebles, Kathryn; Hall, Marissa G; Pepper, Jessica K; Byron, M Justin; Noar, Seth M; Brewer, Noel T

2016-12-01

Pictorial cigarette pack warnings are a promising policy solution to increase smoking cessation among adults. However, little is known regarding adolescents' responses to pictorial warnings, particularly in real-world settings. Participants were 112 adolescent children, ages 13-17, whose parents received either text-only warnings on the side of their cigarette packs or pictorial warnings on the top half of the front and back of their cigarette packs for 4 weeks as part of a trial. We measured adolescents' recall and recognition of these warnings, negative emotional reactions to the warnings, perceived effectiveness of the warnings, social interactions about the warnings, and smoking risk beliefs. Adolescents accurately recalled pictorial warnings more often than text-only warnings (82% vs. 19%, p < .001). Recognition of warnings was also higher for pictorial than text-only warnings (82% vs. 34%, p < .001). Pictorial warnings drew greater attention (p < .001), elicited greater negative emotional reactions (p < .05), and sparked more social interactions (p < .01) than text-only warnings. Pictorial warnings on cigarette packs may have important effects on adolescent children of smokers. Future research should further investigate the impact of such messages on adolescents' susceptibility to smoking initiation and interest in quitting smoking, particularly as the United States and other countries work to implement pictorial warning regulations. Copyright © 2016 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

Numerically Exact Computer Simulations of Light Scattering by Densely Packed, Random Particulate Media

NASA Technical Reports Server (NTRS)

Dlugach, Janna M.; Mishchenko, Michael I.; Liu, Li; Mackowski, Daniel W.

2011-01-01

Direct computer simulations of electromagnetic scattering by discrete random media have become an active area of research. In this progress review, we summarize and analyze our main results obtained by means of numerically exact computer solutions of the macroscopic Maxwell equations. We consider finite scattering volumes with size parameters in the range, composed of varying numbers of randomly distributed particles with different refractive indices. The main objective of our analysis is to examine whether all backscattering effects predicted by the low-density theory of coherent backscattering (CB) also take place in the case of densely packed media. Based on our extensive numerical data we arrive at the following conclusions: (i) all backscattering effects predicted by the asymptotic theory of CB can also take place in the case of densely packed media; (ii) in the case of very large particle packing density, scattering characteristics of discrete random media can exhibit behavior not predicted by the low-density theories of CB and radiative transfer; (iii) increasing the absorptivity of the constituent particles can either enhance or suppress typical manifestations of CB depending on the particle packing density and the real part of the refractive index. Our numerical data strongly suggest that spectacular backscattering effects identified in laboratory experiments and observed for a class of high-albedo Solar System objects are caused by CB.

Versatile organic (fullerene)-inorganic (CdTe nanoparticle) nanoensembles.

PubMed

Guldi, Dirk M; Zilbermann, Israel; Anderson, Greg; Kotov, Nicholas A; Tagmatarchis, Nikos; Prato, Maurizio

2004-11-10

Novel organic (positively charged fullerene)-inorganic (negatively charged CdTe nanoparticle) nanoensembles were devised through electrostatic interactions and probed as versatile donor-acceptor hybrids. Photoirradiation of their homogeneous solutions, containing the electrostatically packed components, let to very long-lived (1.3 ms) charge separated states.

Absorption of mercuric cation by tannins in agricultural residues

DOE Office of Scientific and Technical Information (OSTI.GOV)

Waiss, A.C. Jr.; Wiley, M.E.; Kuhnle, J.A.

1973-01-01

Two common environmental pollutants are agricultural residues (skins, pits, husks, tannin bark, grape pomace) and waste streams of water containing only traces of heavy metals (such as mercury at 10 or more ppb) from mining or manufacturing operations. Agricultural residues contain tannins, polyphenolic substances, pectin, and other polymers-all with chemically reactive groups that can chelate, reduce, oxidize, demonstrate ion exchange properties, and aid in removing traces of heavy metals from dilute waste water streams at low cost. Finely ground and water-washed agricultural residues were slurried in water and packed into columns for absorption tests with heavy metals. Solutions of knownmore » concentrations of heavy metals were passed through the packed columns which were then eluted with water or with alkaline or acidic solutions. The fractions and the column absorbents were then analyzed by standard atomic absorption methods. The nature of the physical and chemical forces that are effective in metal absorption from agricultural residues is not clear.« less

The effect of precipitation and calcination parameters on oxalate derived ThO2 pellets

NASA Astrophysics Data System (ADS)

Wangle, Tadeas; Tyrpekl, Vaclav; Cagno, Simone; Delloye, Thierry; Larcher, Olivier; Cardinaels, Thomas; Vleugels, Jozef; Verwerft, Marc

2017-11-01

Thorium oxalate is easy to prepare, but the derived oxide powders retain the platelet morphology of the primary oxalate. This negatively impacts packing and sintering. If powder milling is to be avoided, powder synthesis needs to be optimized. That is the goal of this paper, where different precipitation strategies were used and their effect on powder characteristics and pellet synthesis was investigated. Oxalates prepared by adding a thorium nitrate solution to an oxalic acid solution proved most promising. Further optimizing of the calcination temperature revealed that with increasing calcination temperature the packing density improved significantly. This came at the cost of decreased early stage sintering and a higher frequency of end-capping during compaction. The calcination temperature at which the highest final density can be reached was dependent on the sintering cycle. Furthermore, the ThO2 powders had less surface area and thus adsorbed less gases during storage when calcined at higher temperatures.

Kinetics study of palm oil hydrolysis using immobilized lipase Candida rugosa in packed bed reactor.

PubMed

Min, C S; Bhatia, S; Kamaruddin, A H

1999-01-01

Continuous hydrolysis of palm oil triglyceride in organic solvent using immobilized Candida rugosa on the Amberlite MB-1 as a source of immobilized lipase was studied in packed bed reactor. The enzymatic kinetics of hydrolysis reaction was studied by changing the substrate concentration, reaction temperature and residence time(tau) in the reactor. At 55 degrees C, the optimum water concentration was found to be 15 % weight per volume of solution (%w/v). The Michaelis-Menten kinetic model was used to obtain the reaction parameters, Km(app) and V max(app). The activation energies were found to be quite low indicating that the lipase-catalyzed process is controlled by diffusion of substrates. The Michaelis-Menten kinetic model was found to be suitable at low water concentration 10-15 %w/v of solution. At higher water concentration, substrate inhibition model was used for data analysis. Reactor operation was found to play an important role in the palm oil hydrolysis kinetic.

Sampling for silver nanoparticles in aqueous media using a rotating disk electrode: evidence for selective sampling of silver nanoparticles in the presence of ionic silver.

PubMed

Steinberg, Spencer; Hodge, Vernon; Schumacher, Brian; Sovocool, Wayne

2017-03-01

Amendment of a carbon paste electrode consisting of graphite and Nujol®, with a variety of organic and inorganic materials, allows direct adsorption of silver nanoparticles (AgNPs) from aqueous solution in either open or close circuit modes. The adsorbed AgNPs are detected by stripping voltammetry. Detection limits of less than 1 ppb Ag are achievable with a rotating disk system. More than one silver peak was apparent in many of the stripping voltammograms. The appearance of multiple peaks could be due to different species of silver formed upon stripping or variation in the state of aggregation or size of nanoparticles. With most of these packing materials, dissolved Ag + was also extracted from aqueous solution, but, with a packing material made with Fe(II,III) oxide nanoparticles, only AgNPs were extracted. Therefore, it is the best candidate for determination of metallic AgNPs in aqueous environmental samples without interference from Ag + .

Food products qualifying for and carrying front-of-pack symbols: a cross-sectional study examining a manufacturer led and a non-profit organization led program.

PubMed

Emrich, Teri E; Cohen, Joanna E; Lou, Wendy Y; L'Abbé, Mary R

2013-09-13

Concern has been raised that the coexistence of multiple front-of-pack (FOP) nutrition rating systems in a marketplace may mislead consumers into believing that a specific food with a FOP is 'healthier' than foods without the symbol. Eleven summary indicator FOP systems are in use in Canada, including one non-profit developed system, the Heart and Stroke Foundation's Health Check™, and ten manufacturer-developed systems, like Kraft's Sensible Solutions™. This study evaluated FOP's potential to mislead consumers by comparing the number of products qualifying to carry a given FOP symbol to the number of products that actually carry the symbol. The nutritional criteria for the Health Check™ and the Sensible Solutions™ systems were applied to a 2010-2011 Canadian national database of packaged food products. The proportion of foods qualifying for a given FOP system was compared to the proportion carrying the symbol using McNemar's test. Criteria were available to categorize 7503 and 3009 of the 10,487 foods in the database under Health Check™ and Sensible Solutions™, respectively. Overall 45% of the foods belonging to a Health Check™ category qualified for Health Check's™ symbol, while only 7.5% of the foods carried the symbol. Up to 79.1% of the foods belonging to a Sensible Solutions™, category qualified for Sensible Solutions's™ symbol while only 4.1% of the foods carried the symbol. The level of agreement between products qualifying for and carrying FOP systems was poor to moderate in the majority of food categories for both systems. More than 75% of the products in 24 of the 85 Health Check™ subcategories and 9 of 11 Sensible Solution™ categories/subcategories qualified for their respective symbols based on their nutritional composition. FOP systems as they are currently applied are not, in most instances, a useful guide to identifying healthier food products in the supermarket as many more products qualify for these systems than the number of products actually displaying these symbols on FOP, and the level of agreement between qualifying and carrying products is poor to moderate. The adoption of a single, standardized FOP system would assure consumers that all products meeting certain nutritional standards are designated by the symbol.

Continuous production of butanol from starch-based packing peanuts.

PubMed

Ezeji, Thaddeus C; Groberg, Marisa; Qureshi, Nasib; Blaschek, Hans P

2003-01-01

Acetone, butanol, ethanol (ABE, or solvents) were produced from starch-based packing peanuts in batch and continuous reactors. In a batch reactor, 18.9 g/L of total ABE was produced from 80 g/L packing peanuts in 110 h of fermentation. The initial and final starch concentrations were 69.6 and 11.1 g/L, respectively. In this fermentation, ABE yield and productivity of 0.32 and 0.17 g/(L h) were obtained, respectively. Compared to the batch fermentation, continuous fermentation of 40 g/L of starchbased packing peanuts in P2 medium resulted in a maximum solvent production of 8.4 g/L at a dilution rate of 0.033 h-1. This resulted in a productivity of 0.27 g/(L h). However, the reactor was not stable and fermentation deteriorated with time. Continuous fermentation of 35 g/L of starch solution resulted in a similar performance. These studies were performed in a vertical column reactor using Clostridium beijerinckii BA101 and P2 medium. It is anticipated that prolonged exposure of culture to acrylamide, which is formed during boiling/autoclaving of starch, affects the fermentation negatively.

Effect of the Crystal Environment on Side-Chain Conformational Dynamics in Cyanovirin-N Investigated through Crystal and Solution Molecular Dynamics Simulations

PubMed Central

Ahlstrom, Logan S.; Vorontsov, Ivan I.; Shi, Jun; Miyashita, Osamu

2017-01-01

Side chains in protein crystal structures are essential for understanding biochemical processes such as catalysis and molecular recognition. However, crystal packing could influence side-chain conformation and dynamics, thus complicating functional interpretations of available experimental structures. Here we investigate the effect of crystal packing on side-chain conformational dynamics with crystal and solution molecular dynamics simulations using Cyanovirin-N as a model system. Side-chain ensembles for solvent-exposed residues obtained from simulation largely reflect the conformations observed in the X-ray structure. This agreement is most striking for crystal-contacting residues during crystal simulation. Given the high level of correspondence between our simulations and the X-ray data, we compare side-chain ensembles in solution and crystal simulations. We observe large decreases in conformational entropy in the crystal for several long, polar and contacting residues on the protein surface. Such cases agree well with the average loss in conformational entropy per residue upon protein folding and are accompanied by a change in side-chain conformation. This finding supports the application of surface engineering to facilitate crystallization. Our simulation-based approach demonstrated here with Cyanovirin-N establishes a framework for quantitatively comparing side-chain ensembles in solution and in the crystal across a larger set of proteins to elucidate the effect of the crystal environment on protein conformations. PMID:28107510

Effect of the Crystal Environment on Side-Chain Conformational Dynamics in Cyanovirin-N Investigated through Crystal and Solution Molecular Dynamics Simulations.

PubMed

Ahlstrom, Logan S; Vorontsov, Ivan I; Shi, Jun; Miyashita, Osamu

2017-01-01

Side chains in protein crystal structures are essential for understanding biochemical processes such as catalysis and molecular recognition. However, crystal packing could influence side-chain conformation and dynamics, thus complicating functional interpretations of available experimental structures. Here we investigate the effect of crystal packing on side-chain conformational dynamics with crystal and solution molecular dynamics simulations using Cyanovirin-N as a model system. Side-chain ensembles for solvent-exposed residues obtained from simulation largely reflect the conformations observed in the X-ray structure. This agreement is most striking for crystal-contacting residues during crystal simulation. Given the high level of correspondence between our simulations and the X-ray data, we compare side-chain ensembles in solution and crystal simulations. We observe large decreases in conformational entropy in the crystal for several long, polar and contacting residues on the protein surface. Such cases agree well with the average loss in conformational entropy per residue upon protein folding and are accompanied by a change in side-chain conformation. This finding supports the application of surface engineering to facilitate crystallization. Our simulation-based approach demonstrated here with Cyanovirin-N establishes a framework for quantitatively comparing side-chain ensembles in solution and in the crystal across a larger set of proteins to elucidate the effect of the crystal environment on protein conformations.

Multistimuli-responsive benzothiadiazole-cored phenylene vinylene derivative with nanoassembly properties.

PubMed

Dou, Chuandong; Chen, Dong; Iqbal, Javed; Yuan, Yang; Zhang, Hongyu; Wang, Yue

2011-05-17

A trifluoromethyl-substituted benzothiadiazole-cored phenylene vinylene fluorophore (1) was synthesized and displayed piezo- and vapochromism and thermo-induced fluorescence variation in solid phase. Grinding could disrupt the crystalline compound 1 with orange emission into amorphous compound 1 with green emission, and heating treatment could change the amorphous compound 1 into crystalline compound 1. Ultraviolet-visible (UV-vis) absorption spectra, (13)C nuclear magnetic resonance (NMR), and powder X-ray diffraction (PXRD) characterizations demonstrated that crystalline and amorphous compound 1 possess different molecular packing. A differential scanning calorimetry (DSC) measurement revealed that the emission switching was due to the exchange between the thermodynamic-stable crystalline and metastable amorphous states. The ground sample exhibited vapochromic fluorescence property. Furthermore, compound 1 showed interesting supramolecular assembly characteristics in solution. Slowly cooling the hot N,N-dimethylformamide (DMF) solution of compound 1 resulted in the formation of orange fluorescent fibers, whereas sonication treatment of the cooling solution led to the generation of organic molecular gel. The field emission scanning electronic microscope (FESEM) and fluorescent microscopy images revealed smooth nano- or microfiber and network morphology properties. The PXRD spectra confirmed that these nano- or microstructures had a similar molecular-packing model with the crystalline state of compound 1. Slow evaporation of the toluene solution of compound 1 could produce green emissive microrods, which exhibited interesting thermo-induced fluorescence variation.

Engineered Osmosis for Energy Efficient Separations: Optimizing Waste Heat Utilization FINAL SCIENTIFIC REPORT DOE F 241.3

DOE Office of Scientific and Technical Information (OSTI.GOV)

NATHAN HANCOCK

2013-01-13

The purpose of this study is to design (i) a stripper system where heat is used to strip ammonia (NH{sub 3}) and carbon dioxide (CO{sub 2}) from a diluted draw solution; and (ii) a condensation or absorption system where the stripped NH{sub 3} and CO{sub 2} are captured in condensed water to form a re-concentrated draw solution. This study supports the Industrial Technologies Program of the DOE Office of Energy Efficiency and Renewable Energy and their Industrial Energy Efficiency Grand Challenge award solicitation. Results from this study show that stimulated Oasys draw solutions composed of a complex electrolyte solution associatedmore » with the dissolution of NH{sub 3} and CO{sub 2} gas in water can successfully be stripped and fully condensed under standard atmospheric pressure. Stripper bottoms NH{sub 3} concentration can reliably be reduced to < 1 mg/L, even when starting with liquids that have an NH{sub 3} mass fraction exceeding 6% to stimulate diluted draw solution from the forward osmosis membrane component of the process. Concentrated draw solution produced by fully condensing the stripper tops was show to exceed 6 M-C with nitrogen-to-carbon (N:C) molar ratios on the order of two. Reducing the operating pressure of the stripper column serves to reduce the partial vapor pressure of both NH{sub 3} and CO{sub 2} in solution and enables lower temperature operation towards integration of industrial low-grade of waste heat. Effective stripping of solutes was observed with operating pressures as low as 100 mbar (3-inHg). Systems operating at reduced pressure and temperature require additional design considerations to fully condense and absorb these constituents for reuse within the Oasys EO system context. Comparing empirical data with process stimulation models confirmed that several key parameters related to vapor-liquid equilibrium and intrinsic material properties were not accurate. Additional experiments and refinement of material property databases within the chosen process stimulation software was required to improve the reliability of process simulations for engineering design support. Data from experiments was also employed to calculate critical mass transfer and system design parameters (such as the height equivalent to a theoretical plate (HETP)) to aid in process design. When measured in a less than optimal design state for the stripping of NH{sub 3} and CO{sub 2} from a simulated dilute draw solution the HETP for one type of commercial stripper packing material was 1.88 ft/stage. During this study it was observed that the heat duty required to vaporize the draw solution solutes is substantially affected by the amount of water boilup also produced to achieve a low NH{sub 3} stripper bottoms concentration specification. Additionally, fluid loading of the stripper packing media is a critical performance parameter that affects all facets of optimum stripper column performance. Condensation of the draw solution tops vapor requires additional process considerations if being conducted in sub-atmospheric conditions and low temperature. Future work will focus on the commercialization of the Oasys EO technology platform for numerous applications in water and wastewater treatment as well as harvesting low enthalpy energy with our proprietary osmotic heat engine. Engineering design related to thermal integration of Oasys EO technology for both low and hig-grade heat applications is underway. Novel thermal recovery processes are also being investigated in addition to the conventional approaches described in this report. Oasys Water plans to deploy commercial scale systems into the energy and zero liquid discharge markets in 2013. Additional process refinement will lead to integration of low enthalpy renewable heat sources for municipal desalination applications.« less

Structure-Property Study on Two New D-A Type Materials Comprising Pyridazine Moiety and the OLED Application as Host.

PubMed

Liu, Shaojie; Zhang, Xunlu; Ou, Changjin; Wang, Shulei; Yang, Xinli; Zhou, Xinhui; Mi, Baoxiu; Cao, Dapeng; Gao, Zhiqiang

2017-08-09

In this paper, two new pyridazine based donor-acceptor type materials, i.e., 3CzPyaPy: 9,9'-(3-(6-(9H-carbazol-9-yl)pyridazin-3-yl)pyridine-2,6-diyl)bis(9H-carbazole) and 4CzPyPyaPy: 3,6-bis(2,6-di(9H-carbazol-9-yl)pyridin-3-yl)pyridazine, were synthesized with high yields. These two materials exhibited strong absorption/emission with high molar extinction coefficients and moderate photoluminescence quantum yield. The glass transition temperature of 3CzPyaPy was detected to be as high as 131 °C, showing its high thermal stability. Although the absorption energies and oxidation/reduction behaviors of the two materials were similar, the emission from 4CzPyPyaPy with longer effective-conjugation length presented hypsochromic shift both in films and in dilute solutions, contradicting to the common sense. The single crystal structure study disclosed their different space stretching and packing: 3CzPyaPy was twisted in larger angles and adopted dimerlike packing, while 4CzPyPyaPy showed smaller torsion angles and exhibited slipped herringbone packing. The dimerlike packing in 3CzPyaPy is responsible for its bathochromic shift of emission in solid state, while its unsymmetrical molecular structure accounts for that in solution. We believe that the unsymmetrical molecular structure of 3CzPyaPy is partially responsible for its high thermal-stability and also responsible for its HOMO dispersion which renders it slightly more difficult to oxidize. 3CzPyaPy was proved to be a bipolar-transport material and when served as a phosphor host, a green phosphorescent device achieved maximum efficiencies of 54.0 cd A -1 , 42.4 lm W -1 , and 17.7%, which are among the best with nonoptimized device structure, demonstrating its great potential for optoelectronic application. Furthermore, the new synthesized pyridazine derivatives and the corresponding structural and molecular-packing influences on material properties give a new insight into molecule tailoring.

Characteristics and Limitations of Submerged GPS L1 Observations

NASA Astrophysics Data System (ADS)

Steiner, Ladina; Geiger, Alain

2017-04-01

Extensive amount of water stored in snow covers has a high impact on flood development during snow melting periods. Early assessment of these parameters in mountain environments enhance early-warning and thus prevention of major impacts. Sub-snow GNSS techniques are lately suggested to determine liquid water content, snow water equivalent or considered for avalanche rescue. This technique is affordable, flexible, and provides accurate and continuous observations independent on weather conditions. However, the characteristics of GNSS observations for applications within a snow-pack still need to be further investigated. The magnitude of the main interaction processes involved for the GPS wavelength propagating through different layers of snow, ice or water is theoretically examined. Liquid water exerts the largest influence on GPS signal propagation through a snow-pack. Therefore, we focus on determining the characteristics of GNSS observables under water. An experiment was set-up to investigate the characteristics and limitations of submerged GPS observations using a pool, a level control by communicating pipes, a geodetic and a low-cost GPS antenna, and a water level sensor. The GPS antennas were placed into the water. The water level was increased daily by a step of two millimeters up to thirty millimeters above the antenna. Based on this experiment, the signal penetration depth, satellite availability, the attenuation of signal strength and the quality of solutions are analyzed. Our experimental results show an agreement with the theoretically derived attenuation parameter and signal penetration depth. The assumption of water as the limiting parameter for GPS observations within a snow-pack can be confirmed. Higher wetness in a snow-pack leads to less transmission, higher refraction, higher attenuation and thus a decreased penetration depth as well as a reduced quality of the solutions. In consequence, GPS applications within a snow-pack are heavily impacted by wetness which is even more pronounced during melting period. In this poster, we present a short introduction to the principle, explain the developed algorithms and show results of experiments dedicated to the signal propagation in water.

Diffusion anisotropy of poor metal solute atoms in hcp-Ti

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scotti, Lucia, E-mail: lxs234@bham.ac.uk; Mottura, Alessandro, E-mail: a.mottura@bham.ac.uk

2015-05-28

Atom migration mechanisms influence a wide range of phenomena: solidification kinetics, phase equilibria, oxidation kinetics, precipitation of phases, and high-temperature deformation. In particular, solute diffusion mechanisms in α-Ti alloys can help explain their excellent high-temperature behaviour. The purpose of this work is to study self- and solute diffusion in hexagonal close-packed (hcp)-Ti, and its anisotropy, from first-principles using the 8-frequency model. The calculated diffusion coefficients show that diffusion energy barriers depend more on bonding characteristics of the solute rather than the size misfit with the host, while the extreme diffusion anisotropy of some solute elements in hcp-Ti is a resultmore » of the bond angle distortion.« less

10 CFR Appendix A to Part 725 - Categories of Restricted Data Available

Code of Federal Regulations, 2011 CFR

2011-01-01

... centrifuge or gaseous diffusion processes. b. Design, construction, and operation of any plant, facility or..., design, criticality studies and operation of reactors, reactor systems and reactor components. d... aqueous lithium hydroxide solution in packed columns. Not included is information regarding plant design...

10 CFR Appendix A to Part 725 - Categories of Restricted Data Available

Code of Federal Regulations, 2012 CFR

2012-01-01

... centrifuge or gaseous diffusion processes. b. Design, construction, and operation of any plant, facility or..., design, criticality studies and operation of reactors, reactor systems and reactor components. d... aqueous lithium hydroxide solution in packed columns. Not included is information regarding plant design...

10 CFR Appendix A to Part 725 - Categories of Restricted Data Available

Code of Federal Regulations, 2010 CFR

2010-01-01

... centrifuge or gaseous diffusion processes. b. Design, construction, and operation of any plant, facility or..., design, criticality studies and operation of reactors, reactor systems and reactor components. d... aqueous lithium hydroxide solution in packed columns. Not included is information regarding plant design...

10 CFR Appendix A to Part 725 - Categories of Restricted Data Available

Code of Federal Regulations, 2014 CFR

2014-01-01

... centrifuge or gaseous diffusion processes. b. Design, construction, and operation of any plant, facility or..., design, criticality studies and operation of reactors, reactor systems and reactor components. d... aqueous lithium hydroxide solution in packed columns. Not included is information regarding plant design...

Sensitivity of the transport and retention of stabilized silver nanoparticles to physicochemical factors

USDA-ARS?s Scientific Manuscript database

Saturated sand-packed column experiments were conducted to investigate the influence of physicochemical factors on the transport and retention of surfactant stabilized silver nanoparticles (AgNPs). The normalized concentration in breakthrough curves (BTCs) of AgNPs increased with a decrease in solut...

TS-SRP/PACK - COMPUTER PROGRAMS TO CHARACTERIZE ALLOYS AND PREDICT CYCLIC LIFE USING THE TOTAL STRAIN VERSION OF STRAINRANGE PARTITIONING

NASA Technical Reports Server (NTRS)

Saltsman, J. F.

1994-01-01

TS-SRP/PACK is a set of computer programs for characterizing and predicting fatigue and creep-fatigue resistance of metallic materials in the high-temperature, long-life regime for isothermal and nonisothermal fatigue. The programs use the total strain version of the Strainrange Partitioning (TS-SRP). The user should be thoroughly familiar with the TS-SRP method before attempting to use any of these programs. The document for this program includes a theory manual as well as a detailed user's manual with a tutorial to guide the user in the proper use of TS-SRP. An extensive database has also been developed in a parallel effort. This database is an excellent source of high-temperature, creep-fatigue test data and can be used with other life-prediction methods as well. Five programs are included in TS-SRP/PACK along with the alloy database. The TABLE program is used to print the datasets, which are in NAMELIST format, in a reader friendly format. INDATA is used to create new datasets or add to existing ones. The FAIL program is used to characterize the failure behavior of an alloy as given by the constants in the strainrange-life relations used by the total strain version of SRP (TS-SRP) and the inelastic strainrange-based version of SRP. The program FLOW is used to characterize the flow behavior (the constitutive response) of an alloy as given by the constants in the flow equations used by TS-SRP. Finally, LIFE is used to predict the life of a specified cycle, using the constants characterizing failure and flow behavior determined by FAIL and FLOW. LIFE is written in interpretive BASIC to avoid compiling and linking every time the equation constants are changed. Four out of five programs in this package are written in FORTRAN 77 for IBM PC series and compatible computers running MS-DOS and are designed to read data using the NAMELIST format statement. The fifth is written in BASIC version 3.0 for IBM PC series and compatible computers running MS-DOS version 3.10. The executables require at least 239K of memory and DOS 3.1 or higher. To compile the source, a Lahey FORTRAN compiler is required. Source code modifications will be necessary if the compiler to be used does not support NAMELIST input. Probably the easiest revision to make is to use a list-directed READ statement. The standard distribution medium for this program is a set of two 5.25 inch 360K MS-DOS format diskettes. The contents of the diskettes are compressed using the PKWARE archiving tools. The utility to unarchive the files, PKUNZIP.EXE, is included. TS-SRP/PACK was developed in 1992.

An efficient visualization method for analyzing biometric data

NASA Astrophysics Data System (ADS)

Rahmes, Mark; McGonagle, Mike; Yates, J. Harlan; Henning, Ronda; Hackett, Jay

2013-05-01

We introduce a novel application for biometric data analysis. This technology can be used as part of a unique and systematic approach designed to augment existing processing chains. Our system provides image quality control and analysis capabilities. We show how analysis and efficient visualization are used as part of an automated process. The goal of this system is to provide a unified platform for the analysis of biometric images that reduce manual effort and increase the likelihood of a match being brought to an examiner's attention from either a manual or lights-out application. We discuss the functionality of FeatureSCOPE™ which provides an efficient tool for feature analysis and quality control of biometric extracted features. Biometric databases must be checked for accuracy for a large volume of data attributes. Our solution accelerates review of features by a factor of up to 100 times. Review of qualitative results and cost reduction is shown by using efficient parallel visual review for quality control. Our process automatically sorts and filters features for examination, and packs these into a condensed view. An analyst can then rapidly page through screens of features and flag and annotate outliers as necessary.

Calculating excess volumes of binary solutions with allowance for structural differences between mixed components

NASA Astrophysics Data System (ADS)

Balankina, E. S.

2016-06-01

Analytical dependences of a volume's properties on the differences between the geometric structures of initial monosystems are obtained for binary systems simulated by a grain medium. The effect of microstructural parameter k (the ratio of volumes of molecules of mixed components) on the concentration behavior of the relative excess molar volume of different types of real binary solutions is analyzed. It is established that the contribution due to differences between the volumes of molecules and coefficients of the packing density of mixed components is ~80-100% for mutual solutions of n-alkanes and ~55-80% of the experimental value of the relative excess molar volume for water solutions of n-alcohols.

Optimal Filling of Shapes

NASA Astrophysics Data System (ADS)

Phillips, Carolyn L.; Anderson, Joshua A.; Huber, Greg; Glotzer, Sharon C.

2012-05-01

We present filling as a type of spatial subdivision problem similar to covering and packing. Filling addresses the optimal placement of overlapping objects lying entirely inside an arbitrary shape so as to cover the most interior volume. In n-dimensional space, if the objects are polydisperse n-balls, we show that solutions correspond to sets of maximal n-balls. For polygons, we provide a heuristic for finding solutions of maximal disks. We consider the properties of ideal distributions of N disks as N→∞. We note an analogy with energy landscapes.

Chiral symmetry breaking by spatial confinement in tactoidal droplets of lyotropic chromonic liquid crystals

PubMed Central

Tortora, Luana; Lavrentovich, Oleg D.

2011-01-01

In many colloidal systems, an orientationally ordered nematic (N) phase emerges from the isotropic (I) melt in the form of spindle-like birefringent tactoids. In cases studied so far, the tactoids always reveal a mirror-symmetric nonchiral structure, sometimes even when the building units are chiral. We report on chiral symmetry breaking in the nematic tactoids formed in molecularly nonchiral polymer-crowded aqueous solutions of low-molecular weight disodium cromoglycate. The parity is broken by twisted packing of self-assembled molecular aggregates within the tactoids as manifested by the observed optical activity. Fluorescent confocal microscopy reveals that the chiral N tactoids are located at the boundaries of cells. We explain the chirality induction as a replacement of energetically costly splay packing of the aggregates within the curved bipolar tactoidal shape with twisted packing. The effect represents a simple pathway of macroscopic chirality induction in an organic system with no molecular chirality, as the only requirements are orientational order and curved shape of confinement. PMID:21402929

Stress Transmission in Granular Packings: Localization and Cooperative Response

NASA Astrophysics Data System (ADS)

Ramola, Kabir

We develop a framework for stress transmission in two dimensional granular media that respects vector force balance at the microscopic level. For a packing of grains interacting via pairwise contact forces, we introduce local gauge degrees of freedom that determine the response of the system to external perturbations. This allows us to construct unique force-balanced solutions that determine the change in contact forces as a response to external stress. By mapping this response to diffusion in the underlying contact network, we show that this naturally leads to spatial localization of forces. We present numerical evidence for stress localization using exact diagonalization studies of network Laplacians associated with soft disk packings. We use this formalism to characterize the deviation from elastic behaviour as the amount of disorder in the underlying network is varied. We discuss generalizations to systems with large friction between grains and other networks that display topological disorder. This work has been supported by NSF-DMR 1409093 and the W. M. Keck Foundation.

On the question of fractal packing structure in metallic glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ding, Jun; Asta, Mark; Ritchie, Robert O.

2017-07-25

This work addresses the long-standing debate over fractal models of packing structure in metallic glasses (MGs). Through detailed fractal and percolation analyses of MG structures, derived from simulations spanning a range of compositions and quenching rates, we conclude that there is no fractal atomic-level structure associated with the packing of all atoms or solute-centered clusters. The results are in contradiction with conclusions derived from previous studies based on analyses of shifts in radial distribution function and structure factor peaks associated with volume changes induced by pressure and compositional variations. Here in this paper, the interpretation of such shifts is shownmore » to be challenged by the heterogeneous nature of MG structure and deformation at the atomic scale. Moreover, our analysis in the present work illustrates clearly the percolation theory applied to MGs, for example, the percolation threshold and characteristics of percolation clusters formed by subsets of atoms, which can have important consequences for structure–property relationships in these amorphous materials.« less

Development of a gravity-independent wastewater bioprocessor for advanced life support in space

NASA Technical Reports Server (NTRS)

Nashashibi-Rabah, Majda; Christodoulatos, Christos; Korfiatis, George P.; Janes, H. W. (Principal Investigator)

2005-01-01

Operation of aerobic biological reactors in space is controlled by a number of challenging constraints, mainly stemming from mass transfer limitations and phase separation. Immobilized-cell packed-bed bioreactors, specially designed to function in the absence of gravity, offer a viable solution for the treatment of gray water generated in space stations and spacecrafts. A novel gravity-independent wastewater biological processor, capable of carbon oxidation and nitrification of high-strength aqueous waste streams, is presented. The system, consisting of a fully saturated pressurized packed bed and a membrane oxygenation module attached to an external recirculation loop, operated continuously for over one year. The system attained high carbon oxidation efficiencies often exceeding 90% and ammonia oxidation reaching approximately 60%. The oxygen supply module relies on hydrophobic, nonporous, oxygen selective membranes, in a shell and tube configuration, for transferring oxygen to the packed bed, while keeping the gaseous and liquid phases separated. This reactor configuration and operating mode render the system gravity-independent and suitable for space applications.

Transport and retention of surfactant- and polymer-stabilized engineered silver nanoparticles in silicate-dominated aquifer material

USDA-ARS?s Scientific Manuscript database

Packed column experiments were conducted to investigate the transport and blocking behavior of surfactant- and polymer-stabilized engineered silver nanoparticles (Ag-ENPs) in saturated natural aquifer material with varying silt and clay content, background solution chemistry, and flow velocity. Brea...

Continuous D-tagatose production by immobilized thermostable L-arabinose isomerase in a packed-bed bioreactor.

PubMed

Ryu, Se-Ah; Kim, Chang Sup; Kim, Hye-Jung; Baek, Dae Heoun; Oh, Deok-Kun

2003-01-01

D-Tagatose was continuously produced using thermostable L-arabinose isomerase immobilized in alginate with D-galactose solution in a packed-bed bioreactor. Bead size, L/D (length/diameter) of reactor, dilution rate, total loaded enzyme amount, and substrate concentration were found to be optimal at 0.8 mm, 520/7 mm, 0.375 h(-1), 5.65 units, and 300 g/L, respectively. Under these conditions, the bioreactor produced about 145 g/L tagatose with an average productivity of 54 g tagatose/L x h and an average conversion yield of 48% (w/w). Operational stability of the immobilized enzyme was demonstrated, with a tagatose production half-life of 24 days.

Surface-bubble-modulated liquid chromatography: a new approach for manipulation of chromatographic retention and investigation of solute distribution at water/hydrophobic interfaces.

PubMed

Nakamura, Keisuke; Nakamura, Hiroki; Saito, Shingo; Shibukawa, Masami

2015-01-20

In this paper, we present a new chromatographic method termed surface-bubble-modulated liquid chromatography (SBMLC), that has a hybrid separation medium incorporated with surface nanobubbles. Nanobubbles or nanoscale gas phases can be fixed at the interface between water and a hydrophobic material by delivering water into a dry column packed with a nanoporous material. The incorporation of a gas phase at the hydrophobic surface leads to the formation of the hybrid separation system consisting of the gas phase, hydrophobic moieties, and the water/hydrophobic interface or the interfacial water. One can change the volume of the gas phase by pressure applied to the column, which in turn alters the area of water/hydrophobic interface or the volume of the interfacial water, while the amount of the hydrophobic moiety remains constant. Therefore, this strategy provides a novel technique not only for manipulating the separation selectivity by pressure but also for elucidating the mechanism of accumulation or retention of solute compounds in aqueous solutions by a hydrophobic material. We evaluate the contributions of the interfacial water at the surface of an octadecyl bonded silica and the bonded layer itself to the retention of various solute compounds in aqueous solutions on the column packed with the material by SBMLC. The results show that the interfacial water formed at the hydrophobic surface has a key role in retention even though its volume is rather small. The manipulation of the separation selectivity of SBMLC for some organic compounds by pressure is demonstrated.

Treatment of amoxicillin by O3/Fenton process in a rotating packed bed.

PubMed

Li, Mo; Zeng, Zequan; Li, Yingwen; Arowo, Moses; Chen, Jianfeng; Meng, Hong; Shao, Lei

2015-03-01

In this study, simulated amoxicillin wastewater was treated by the O3/Fenton process in a rotating packed bed (RPB) and the results were compared with the Fenton process and the O3 followed by Fenton (O3 + Fenton) process. The chemical oxygen demand (COD) removal rate and the ratio of 5-day biological oxygen demand to chemical oxygen demand (BOD5/COD) in the O3/Fenton process were approximately 17% and 26%, respectively, higher than those in the O3 + Fenton process with an initial pH of 3. The COD removal rate of the amoxicillin solution reached maximum at the Fe(II) concentration of 0.6 mM, temperature of 25 °C, rotation speed of 800 rpm and initial pH of 3. The BOD5/COD of the amoxicillin solution increased from 0 to 0.38 after the solution was treated by the O3/Fenton process. Analysis of the intermediates indicated that the pathway of amoxicillin degradation in the O3/Fenton process was similar to that in the O3 + Fenton process. Contrast experiment results showed that amoxicillin degradation was significantly intensified in the RPB. Copyright © 2014 Elsevier Ltd. All rights reserved.

A solution algorithm for fluid-particle flows across all flow regimes

NASA Astrophysics Data System (ADS)

Kong, Bo; Fox, Rodney O.

2017-09-01

Many fluid-particle flows occurring in nature and in technological applications exhibit large variations in the local particle volume fraction. For example, in circulating fluidized beds there are regions where the particles are close-packed as well as very dilute regions where particle-particle collisions are rare. Thus, in order to simulate such fluid-particle systems, it is necessary to design a flow solver that can accurately treat all flow regimes occurring simultaneously in the same flow domain. In this work, a solution algorithm is proposed for this purpose. The algorithm is based on splitting the free-transport flux solver dynamically and locally in the flow. In close-packed to moderately dense regions, a hydrodynamic solver is employed, while in dilute to very dilute regions a kinetic-based finite-volume solver is used in conjunction with quadrature-based moment methods. To illustrate the accuracy and robustness of the proposed solution algorithm, it is implemented in OpenFOAM for particle velocity moments up to second order, and applied to simulate gravity-driven, gas-particle flows exhibiting cluster-induced turbulence. By varying the average particle volume fraction in the flow domain, it is demonstrated that the flow solver can handle seamlessly all flow regimes present in fluid-particle flows.

A simple and rapid in situ preconcentration method for the determination of phosphate in environmental waters by use of solid-phase extraction, and its applications to brackish lake waters.

PubMed

Okumura, M; Tong, L; Fujinaga, K; Seike, Y

2001-05-01

A simple and rapid in situ preconcentration method for the determination of phosphate in environmental waters has been developed for field analysis. This method is based on solid-phase extraction on a zirconium-loaded Sep-Pack Accell CM cartridge (Zr-SP) and is applicable to studies in which sampling is performed by use of a graduated syringe to prevent contamination and to ensure easy operation at sampling sites. The Zr-SP cartridge was prepared by passing 0.1 mol L(-1) zirconium solution through a Sep-Pak Accell CM cartridge, packed with cation exchange sorbent based on a silica matrix. The adsorption of phosphate and its desorption depend only on the pH of the solution. A water sample containing phosphate was adjusted to pH 2 and passed through the Zr-SP cartridge to collect it. The retained phosphate was quantitatively eluted with 0.5 mol L(-1) sodium hydroxide solution. The phosphate retained in the Zr-SP cartridge was stable for at least one month. The established preconcentration method was successfully applied to brackish lake waters to investigate seasonal changes in the distribution and behavior of phosphate in a brackish lake.

Biosorption of copper by marine algae Gelidium and algal composite material in a packed bed column.

PubMed

Vilar, Vítor J P; Botelho, Cidália M S; Loureiro, José M; Boaventura, Rui A R

2008-09-01

Marine algae Gelidium and algal composite material were investigated for the continuous removal of Cu(II) from aqueous solution in a packed bed column. The biosorption behaviour was studied during one sorption-desorption cycle of Cu(II) in the flow through column fed with 50 and 25 mg l(-1) of Cu(II) in aqueous solution, at pH 5.3, leading to a maximum uptake capacity of approximately 13 and 3 mg g(-1), respectively, for algae Gelidium and composite material. The breakthrough time decreases as the inlet copper concentration increases, for the same flow rate. The pH of the effluent decreases over the breakthrough time of copper ions, which indicates that ion exchange is one of the mechanisms involved in the biosorption process. Temperature has little influence on the metal uptake capacity and the increase of the ionic strength reduces the sorption capacity, decreasing the breakthrough time. Desorption using 0.1M HNO(3) solution was 100% effective. After two consecutive sorption-desorption cycles no changes in the uptake capacity of the composite material were observed. A mass transfer model including film and intraparticle resistances, and the equilibrium relationship, for adsorption and desorption, was successfully applied for the simulation of the biosorption column performance.

Schema Versioning for Multitemporal Relational Databases.

ERIC Educational Resources Information Center

De Castro, Cristina; Grandi, Fabio; Scalas, Maria Rita

1997-01-01

Investigates new design options for extended schema versioning support for multitemporal relational databases. Discusses the improved functionalities they may provide. Outlines options and basic motivations for the new design solutions, as well as techniques for the management of proposed schema versioning solutions, includes algorithms and…

Apple juice clarification by immobilized pectolytic enzymes in packed or fluidized bed reactors.

PubMed

Diano, Nadia; Grimaldi, Tiziana; Bianco, Mariangela; Rossi, Sergio; Gabrovska, Katya; Yordanova, Galya; Godjevargova, Tzonka; Grano, Valentina; Nicolucci, Carla; Mita, Luigi; Bencivenga, Umberto; Canciglia, Paolo; Mita, Damiano G

2008-12-10

The catalytic behavior of a mixture of pectic enzymes, covalently immobilized on different supports (glass microspheres, nylon 6/6 pellets, and PAN beads), was analyzed with a pectin aqueous solution that simulates apple juice. The following parameters were investigated: the rate constant at which pectin hydrolysis is conducted, the time (tau(50)) in which the reduction of 50% of the initial viscosity is reached, and the time (tau(comp,dep)) required to obtain complete depectinization. The best catalytic system was proven to be PAN beads, and their pH and temperature behavior were determined. The yields of two bed reactors, packed or fluidized, using the catalytic PAN beads, were compared to the circulation flow rate of real apple juice. The experimental conditions were as follows: pH 4.0, T = 50 degrees C, and beads volume = 20 cm(3). The initial pectin concentration was the one that was present in our apple juice sample. No differences were observed at low circulation rates, while at higher recirculation rates, the time required to obtain complete pectin hydrolysis into the fluidized reactor was found to be 0.25 times smaller than in the packed bed reactor: 131 min for the packed reactors and 41 min for the fluidized reactors.

A fresh look at the wolf-pack theory of companion-animal dog social behavior.

PubMed

van Kerkhove, Wendy

2004-01-01

A popular perspective on the social behavior of dogs in multiple-dog households sees the dogs' behavior as reflecting the sociobiological laws of the rigidly structured dominance hierarchy that has been described for wolf packs. This view suggests that aggression problems among dogs are natural expressions of conflict that arise whenever dominance status is in contention. One recommended solution has been for the owner to endorse and enforce a particular dominance hierarchy because, on the wolf pack model, aggression is minimized when the structure of the hierarchy is clear, strong, and stable. This article questions the validity of this perspective on 2 principal grounds. First, because it does not seem to occur in the wild, this article suggests the strong dominance hierarchy that has been described for wolves may be a by-product of captivity. If true, it implies that social behavior--even in wolves--may be a product more of environmental circumstances and contingencies than an instinctive directive. Second, because feral dogs do not exhibit the classic wolf-pack structure, the validity of the canid, social dominance hierarchy again comes into question. This article suggests that behavioral learning theory offers another perspective regarding the behavior of dogs and wolves in the wild or in captivity and offers an effective intervention for aggression problems.

Effect of Time and Deposition Method on Quality of Phosphonic Acid Modifier Self-Assembled Monolayers on Indium Zinc Oxide

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sang, Lingzi; Knesting, Kristina M.; Bulusu, Anuradha

Phosphonic acid (PA) self-assembled monolayers (SAMs) are utilized at critical interfaces between transparent conductive oxides (TCO) and organic active layers in organic photovoltaic devices (OPVs). The effects of PA deposition method and time on the formation of close-packed, high-quality monolayers is investigated here for SAMs fabricated by solution deposition, micro-contact printing, and spray coating. The solution deposition isotherm for pentafluorinated benzylphosphonic acid (F5BnPA) on indium-doped zinc oxide (IZO) is studied using polarization modulation-infrared reflection-absorption spectroscopy (PM-IRRAS) at room temperature as a model PA/IZO system. Fast surface adsorption occurs within the first min; however, well-oriented high-quality SAMs are reached only aftermore » -48 h, presumably through a continual process of molecular adsorption/desorption and monolayer filling accompanied by molecular reorientation. Two other rapid, soak-free deposition techniques, micro-contact printing and spray coating, are also explored. SAM quality is compared for deposition of phenyl phosphonic acid (PPA), F13-octylphosphonic acid (F13OPA), and pentafluorinated benzyl phosphonic acid (F5BnPA) by solution deposition, micro-contact printing and spray coating using PM-IRRAS. In contrast to micro-contact printing and spray coating techniques, 48-168 h solution deposition at both room temperature and 70 degrees C result in contamination- and surface etch-free close-packed monolayers with good reproducibility. SAMs fabricated by micro-contact printing and spray coating are much less well ordered.« less

Privacy-preserving genome-wide association studies on cloud environment using fully homomorphic encryption.

PubMed

Lu, Wen-Jie; Yamada, Yoshiji; Sakuma, Jun

2015-01-01

Developed sequencing techniques are yielding large-scale genomic data at low cost. A genome-wide association study (GWAS) targeting genetic variations that are significantly associated with a particular disease offers great potential for medical improvement. However, subjects who volunteer their genomic data expose themselves to the risk of privacy invasion; these privacy concerns prevent efficient genomic data sharing. Our goal is to presents a cryptographic solution to this problem. To maintain the privacy of subjects, we propose encryption of all genotype and phenotype data. To allow the cloud to perform meaningful computation in relation to the encrypted data, we use a fully homomorphic encryption scheme. Noting that we can evaluate typical statistics for GWAS from a frequency table, our solution evaluates frequency tables with encrypted genomic and clinical data as input. We propose to use a packing technique for efficient evaluation of these frequency tables. Our solution supports evaluation of the D' measure of linkage disequilibrium, the Hardy-Weinberg Equilibrium, the χ2 test, etc. In this paper, we take χ2 test and linkage disequilibrium as examples and demonstrate how we can conduct these algorithms securely and efficiently in an outsourcing setting. We demonstrate with experimentation that secure outsourcing computation of one χ2 test with 10, 000 subjects requires about 35 ms and evaluation of one linkage disequilibrium with 10, 000 subjects requires about 80 ms. With appropriate encoding and packing technique, cryptographic solutions based on fully homomorphic encryption for secure computations of GWAS can be practical.

Facilitated transport of copper with hydroxyapatite nanoparticles in saturated sand

USDA-ARS?s Scientific Manuscript database

Saturated packed column experiments were conducted to investigate the facilitated transport of Cu with hydroxyapatite nanoparticles (nHAP) at different pore water velocities (0.22-2.2 cm min–1), solution pH (6.2-9.0), and fraction of Fe oxide coating on grain surfaces (', 0-0.36). The facilitated tr...

Mechanical properties of biobased films prepared from collagen solutions derived from bovine hides

USDA-ARS?s Scientific Manuscript database

The most valuable byproducts of the meat packing industry are hides. The U.S. is the world’s 3rd largest hide producing country and currently produces approximately 35 million cattle hides annually. Due to fierce competition in global markets, the American leather and hides industry is facing chal...

Standardized Definitions for Code Verification Test Problems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doebling, Scott William

This document contains standardized definitions for several commonly used code verification test problems. These definitions are intended to contain sufficient information to set up the test problem in a computational physics code. These definitions are intended to be used in conjunction with exact solutions to these problems generated using Exact- Pack, www.github.com/lanl/exactpack.

Taming Self-Organization Dynamics to Dramatically Control Porous Architectures.

PubMed

Daly, Ronan; Sader, John E; Boland, John J

2016-03-22

We demonstrate templating of functional materials with unexpected and intricate micro- and nanostructures by controlling the condensation, packing, and evaporation of water droplets on a polymer solution. Spontaneous evaporation of a polymer solution induces cooling of the liquid surface and water microdroplet condensation from the ambient vapor. These droplets pack together and act as a template to imprint an entangled polymer film. This breath figure (BF) phenomenon is an example of self-organization that involves the long-range ordering of droplets. Equilibrium-based analysis provides many insights into contact angles and drop stability of individual drops, but the BF phenomenon remains poorly understood thus far, preventing translation to real applications. Here we investigate the dynamics of this phenomenon to separate out the competing influences and then introduce a modulation scheme to ultimately manipulate the water vapor-liquid equilibrium independently from the solvent evaporation. This approach to BF control provides insights into the mechanism, a rationale for microstructure design, and evidence for the benefits of dynamical control of self-organization systems. We finally present dramatically different porous architectures from this approach reminiscent of microscale Petri dishes, conical flasks, and test tubes.

Efficiency of a Photoreactor Packed with Immobilized Titanium Dioxide Nanoparticles in the Removal of Acid Orange 7.

PubMed

Sheidaei, Behnaz; Behnajady, Mohammad A

2016-05-01

In this paper, the removal efficiency of Color Index Acid Orange 7 (AO7) as a model contaminant was investigated in a batch-recirculated photoreactor packed with immobilized titanium dioxide type P25 nanoparticles on glass beads. The effects of different operational parameters such as the initial concentration of AO7, the volume of solution, the volumetric flowrate, and the light source power in the photoreactor were investigated. The results indicate that the removal percent increased with the rise in volumetric flowrate and power of the light source, but decreased with the rise of the initial concentration of AO7 and the volume of solution. The AO7 degradation was followed through total organic carbon, gas chromatography/mass spectroscopy (GC/MS), and mineralization products analysis. The ammonium and sulfate ions were analyzed as mineralization products of nitrogen and sulfur heteroatoms, respectively. The results of GC/MS revealed the production of 1-indanone, 1-phthalanone, and 2-naphthalenol as intermediate products for the removal of AO7 in this process.

Nogo goes in the pure water: solution structure of Nogo-60 and design of the structured and buffer-soluble Nogo-54 for enhancing CNS regeneration.

PubMed

Li, Minfen; Liu, Jingxian; Song, Jianxing

2006-08-01

The inability to determine the structure of the buffer-insoluble Nogo extracellular domain retarded further design of Nogo receptor (NgR) antagonists to treat CNS axonal injuries. Very surprisingly, we recently discovered that Nogo-60 was soluble and structured in salt-free water, thus allowing the determination of the first Nogo structure by heteronuclear NMR spectroscopy. Nogo-60 adopts an unusual helical structure with the N- and C-terminal helices connected by a long middle helix. While the N-helix has no contact with the rest of the molecule, the C-helix flips back to pack against the 20-residue middle helix. This packing appears to trigger the formation of the stable Nogo-60 structure because Nogo-40 with the last helix truncated is unstructured. The Nogo-60 structure offered us rationales for further design of the structured and buffer-soluble Nogo-54, which may be used as a novel NgR antagonist. Furthermore, our discovery may imply a general solution to solubilizing a category of buffer-insoluble proteins for urgent structural investigations.

Pressurized planar electrochromatography, high-performance thin-layer chromatography and high-performance liquid chromatography--comparison of performance.

PubMed

Płocharz, Paweł; Klimek-Turek, Anna; Dzido, Tadeusz H

2010-07-16

Kinetic performance, measured by plate height, of High-Performance Thin-Layer Chromatography (HPTLC), High-Performance Liquid Chromatography (HPLC) and Pressurized Planar Electrochromatography (PPEC) was compared for the systems with adsorbent of the HPTLC RP18W plate from Merck as the stationary phase and the mobile phase composed of acetonitrile and buffer solution. The HPLC column was packed with the adsorbent, which was scrapped from the chromatographic plate mentioned. An additional HPLC column was also packed with adsorbent of 5 microm particle diameter, C18 type silica based (LiChrosorb RP-18 from Merck). The dependence of plate height of both HPLC and PPEC separating systems on flow velocity of the mobile phase and on migration distance of the mobile phase in TLC system was presented applying test solute (prednisolone succinate). The highest performance, amongst systems investigated, was obtained for the PPEC system. The separation efficiency of the systems investigated in the paper was additionally confirmed by the separation of test component mixture composed of six hormones. 2010 Elsevier B.V. All rights reserved.

Augmented neural networks and problem structure-based heuristics for the bin-packing problem

NASA Astrophysics Data System (ADS)

Kasap, Nihat; Agarwal, Anurag

2012-08-01

In this article, we report on a research project where we applied augmented-neural-networks (AugNNs) approach for solving the classical bin-packing problem (BPP). AugNN is a metaheuristic that combines a priority rule heuristic with the iterative search approach of neural networks to generate good solutions fast. This is the first time this approach has been applied to the BPP. We also propose a decomposition approach for solving harder BPP, in which subproblems are solved using a combination of AugNN approach and heuristics that exploit the problem structure. We discuss the characteristics of problems on which such problem structure-based heuristics could be applied. We empirically show the effectiveness of the AugNN and the decomposition approach on many benchmark problems in the literature. For the 1210 benchmark problems tested, 917 problems were solved to optimality and the average gap between the obtained solution and the upper bound for all the problems was reduced to under 0.66% and computation time averaged below 33 s per problem. We also discuss the computational complexity of our approach.

Aqueous Assembly of Oxide and Fluoride Nanoparticles into 3D Microassemblies.

PubMed

Cui, Shanying; Guan, Xin N; Ghantous, Eliana; Vajo, John J; Lucas, Matthew; Hsiao, Ming-Siao; Drummy, Lawrence F; Collins, Joshua; Juhl, Abigail; Roper, Christopher S; Gross, Adam F

2018-06-28

We demonstrate rapid [∼mm 3 /(h·L)] organic ligand-free self-assembly of three-dimensional, >50 μm single-domain microassemblies containing up to 10 7 individual aligned nanoparticles through a scalable aqueous process. Organization and alignment of aqueous solution-dispersed nanoparticles are induced by decreasing their pH-dependent surface charge without organic ligands, which could be temperature-sensitive or infrared light absorbing. This process is exhibited by transforming both dispersed iron oxide hydroxide nanorods and lithium yttrium fluoride nanoparticles into high packing density microassemblies. The approach is generalizable to nanomaterials with pH-dependent surface charge (e.g., oxides, fluorides, and sulfides) for applications requiring long-range alignment of nanostructures as well as high packing density.

Thermoelectric Devices Cool, Power Electronics

NASA Technical Reports Server (NTRS)

2009-01-01

Nextreme Thermal Solutions Inc., based in Research Triangle Park, North Carolina, licensed thermoelectric technology from NASA s Jet Propulsion Laboratory. This has allowed the company to develop cutting edge, thin-film thermoelectric coolers that effective remove heat generated by increasingly powerful and tightly packed microchip components. These solid-state coolers are ideal solutions for applications like microprocessors, laser diodes, LEDs, and even potentially for cooling the human body. Nextreme s NASA technology has also enabled the invention of thermoelectric generators capable of powering technologies like medical implants and wireless sensor networks.

Protein aggregation studied by forward light scattering and light transmission analysis

NASA Astrophysics Data System (ADS)

Penzkofer, A.; Shirdel, J.; Zirak, P.; Breitkreuz, H.; Wolf, E.

2007-12-01

The aggregation of the circadian blue-light photo-receptor cryptochrome from Drosophila melanogaster (dCry) is studied by transmission and forward light scattering measurement in the protein transparent wavelength region. The light scattering in forward direction is caused by Rayleigh scattering which is proportional to the degree of aggregation. The light transmission through the samples in the transparent region is reduced by Mie light scattering in all directions. It depends on the degree of aggregation and the monomer volume fill factor of the aggregates (less total scattering with decreasing monomer volume fill factor of protein globule) allowing a distinction between tightly packed protein aggregation (monomer volume fill factor 1) and loosely packed protein aggregation (monomer volume fill factor less than 1). An increase in aggregation with temperature, concentration, and blue-light exposure is observed. At a temperature of 4 °C and a protein concentration of less than 0.135 mM no dCry aggregation was observed, while at 24 °C and 0.327 mM gelation occurred (loosely packed aggregates occupying the whole solution volume).

Experimental design for a basic mixture on a fluorinated packing. The effect of composition of the mobile phase.

PubMed

Wang, Y; Harrison, M; Clark, B J

2006-02-10

An optimization methodology is introduced for investigating the separation and the retention behavior of analytes on a new fluorinated reversed-phase packing. Ten basic compounds were selected as test probes to study the predictive models developed by using SPSS and MATLAB software. A two-level orthogonal array design (OAD) was used to extract significant parameters. The significant factors were optimised using a central composite design to obtain the quadratic relationship between the dependent and the independent variables. Using this strategy, response surfaces were derived as the 3D and contour plots, and mathematical models were defined for the separation. The models had a satisfactory coefficient (R(2) > 0.97, n = 16). For the test compounds, the best separation condition was: MeCN/30 mM phosphate buffer pH 7.1(55.5:44.5, v/v) and 10 basic solutes were resolved in 22 min. The significant influence of the concentration of buffer shows that different mechanisms of separation for basic compounds on the fluorinated packing exist compared with a common ODS stationary phase.

Notes on the ExactPack Implementation of the DSD Rate Stick Solver

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kaul, Ann

It has been shown above that the discretization scheme implemented in the ExactPack solver for the DSD Rate Stick equation is consistent with the Rate Stick PDE. In addition, a stability analysis has provided a CFL condition for a stable time step. Together, consistency and stability imply convergence of the scheme, which is expected to be close to first-order in time and second-order in space. It is understood that the nonlinearity of the underlying PDE will affect this rate somewhat. In the solver I implemented in ExactPack, I used the one-sided boundary condition described above at the outer boundary. Inmore » addition, I used 80% of the time step calculated in the stability analysis above. By making these two changes, I was able to implement a solver that calculates the solution without any arbitrary limits placed on the values of the curvature at the boundary. Thus, the calculation is driven directly by the conditions at the boundary as formulated in the DSD theory. The chosen scheme is completely coherent and defensible from a mathematical standpoint.« less

Collaborative WiFi Fingerprinting Using Sensor-Based Navigation on Smartphones.

PubMed

Zhang, Peng; Zhao, Qile; Li, You; Niu, Xiaoji; Zhuang, Yuan; Liu, Jingnan

2015-07-20

This paper presents a method that trains the WiFi fingerprint database using sensor-based navigation solutions. Since micro-electromechanical systems (MEMS) sensors provide only a short-term accuracy but suffer from the accuracy degradation with time, we restrict the time length of available indoor navigation trajectories, and conduct post-processing to improve the sensor-based navigation solution. Different middle-term navigation trajectories that move in and out of an indoor area are combined to make up the database. Furthermore, we evaluate the effect of WiFi database shifts on WiFi fingerprinting using the database generated by the proposed method. Results show that the fingerprinting errors will not increase linearly according to database (DB) errors in smartphone-based WiFi fingerprinting applications.

Collaborative WiFi Fingerprinting Using Sensor-Based Navigation on Smartphones

PubMed Central

Zhang, Peng; Zhao, Qile; Li, You; Niu, Xiaoji; Zhuang, Yuan; Liu, Jingnan

2015-01-01

This paper presents a method that trains the WiFi fingerprint database using sensor-based navigation solutions. Since micro-electromechanical systems (MEMS) sensors provide only a short-term accuracy but suffer from the accuracy degradation with time, we restrict the time length of available indoor navigation trajectories, and conduct post-processing to improve the sensor-based navigation solution. Different middle-term navigation trajectories that move in and out of an indoor area are combined to make up the database. Furthermore, we evaluate the effect of WiFi database shifts on WiFi fingerprinting using the database generated by the proposed method. Results show that the fingerprinting errors will not increase linearly according to database (DB) errors in smartphone-based WiFi fingerprinting applications. PMID:26205269

Rapid identification of anonymous subjects in large criminal databases: problems and solutions in IAFIS III/FBI subject searches

NASA Astrophysics Data System (ADS)

Kutzleb, C. D.

1997-02-01

The high incidence of recidivism (repeat offenders) in the criminal population makes the use of the IAFIS III/FBI criminal database an important tool in law enforcement. The problems and solutions employed by IAFIS III/FBI criminal subject searches are discussed for the following topics: (1) subject search selectivity and reliability; (2) the difficulty and limitations of identifying subjects whose anonymity may be a prime objective; (3) database size, search workload, and search response time; (4) techniques and advantages of normalizing the variability in an individual's name and identifying features into identifiable and discrete categories; and (5) the use of database demographics to estimate the likelihood of a match between a search subject and database subjects.

Lessons Learned Implementing DOORS in a Citrix Environment

NASA Technical Reports Server (NTRS)

Bussman, Marie

2005-01-01

NASA's James Web Space Telescope (JWST) Project is a large multi-national project with geographically dispersed contractors that all need access to the Projects requirement database. Initially, the project utilized multiple DOORS databases with the built-in partitions feature to exchange modules amongst the various contractor sites. As the requirements databases matured the use of partitions became extremely difficult. There have been many issues such as incompatible versions of DOORS, inefficient mechanism for sharing modules, security concerns, performance issues, and inconsistent document import and export formats. Deployment of the client software with limited IT resources available was also an issue. The solution chosen by JWST was to integrate the use of a Citrix environment with the DOORS database to address most of the project concerns. The use of the Citrix solution allowed a single Requirements database in a secure environment via a web interface. The Citrix environment allows JWST to upgrade to the most current version of DOORS without having to coordinate multiple sites and user upgrades. The single requirements database eliminates a multitude of Configuration Management concerns and facilitated the standardization of documentation formats. This paper discusses the obstacles and the lessons learned throughout the installation, implementation, usage and deployment process of a centralized DOORS database solution.

Functionalized coronenes: synthesis, solid structure, and properties.

PubMed

Wu, Di; Zhang, Hua; Liang, Jinhua; Ge, Haojie; Chi, Chunyan; Wu, Jishan; Liu, Sheng Hua; Yin, Jun

2012-12-21

The construction of coronenes using simple building blocks is a challenging task. In this work, triphenylene was used as a building block to construct functionalized coronenes, and their solid structures and optoelectronic properties were investigated. The single crystal structures showed that coronenes have different packing motifs. Their good solubility and photostability make them potential solution-processable candidates for organic devices.

High-performance liquid chromatographic analysis of methadone hydrochloride oral solution.

PubMed

Beasley, T H; Ziegler, H W

1977-12-01

A direct and rapid high-performance liquid chromatographic assay for methadone hydrochloride in a flavored oral solution dosage form is described. A syrup sample, one part diluted with three parts of water, is introduced onto a column packed with octadecylsilane bonded on 10 micrometer porous silica gel (reversed phase). A formic acid-ammonium formate-buffered mobile phase is linear programmed with acetonitrile. The absorbance is monitored continuously at 280 or 254 nm, using a flow-through, UV, double-beam photometer. An aqueous methadone hydrochloride solution is used for external standardization. The relative standard deviation was not more than 1.0%. Drug recovery from a syrup base was better than 99.8%.

Effects of modified atmosphere packing and honey dip treatments on quality maintenance of minimally processed grape cv. Razaki (V. vinifera L.) during cold storage.

PubMed

Sabır, Ali; Sabır, Ferhan K; Kara, Zeki

2011-06-01

Increasing pressure in food conservation sector to replace chemical applications has urged researchers to focus on studying new strategies of extending the postharvest life of produces. In such efforts, numerous materials have been tested for their effectiveness as well as suitability in organic consumption. In this study, effects of modified atmosphere packing (MAP) and honey solution dip on maintenance of quality of minimally processed table grape cv. Razaki were investigated. During the storage at 0 °C with relative humidity of 90%, MAP, honey dip, and their combined applications significantly retarded the weight loss of berries that retained about 2 mm of cap stem. Soluble solid contents of all berries slightly increased, while their acid amounts decreased, resulting in consecutive rises of maturity index. With respect to the sensory score, calculated as mean of ten panelists, honey treatment alone was ranked the highest while control berries had significantly lower value. Overall, MAP, honey solution dip or their combination significantly maintained the general quality of minimally processed grape by delaying quality loss and berry decay. Therefore, honey solution dip yielded promising results to use as an edible organic coating barrier to moisture and resist to water vapor diffusion during the cold storage, offering a good adherence to berry surface.

Properties of Poly- and Oligopentacenes Synthesized from Modular Building Blocks

DOE PAGES

Kumarasamy, Elango; Sanders, Samuel N.; Pun, Andrew B.; ...

2016-02-09

Here, we describe a facile route to well-defined, solution-processable pentacene oligomers (2 to 7) and homopolymer using Suzuki–Miyaura cross-coupling reactions. This synthetic strategy leads to regioisomers, regiopure syn- and anti-trimers were also synthesized, revealing minimal changes in solution properties but significant changes in the solid state arising from differing levels of crystallinity. The materials were characterized by steady state absorption spectroscopy and cyclic voltammetry to study their electronic structure. The steady state absorption spectra exhibit a new high-energy transition in the oligomers, which intensifies as a function of oligomer length, thus increasing the range of absorption to include the entiremore » visible spectrum. Density functional theory calculations indicate that the new peak results directly from the oligomerization. Solid state UV–vis suggests that while the monomer is amorphous, bricklayer packing in the higher oligomers significantly alters the solid state absorption relative to solution. The effect of oligomerization on packing was corroborated by GIWAXS analysis, which revealed crystalline domains in the oligomers. These domains, which are most evident in anti-trimer, become more pronounced upon thermal annealing. Photodegradation studies revealed considerable stability enhancement of oligomers toward oxygen and cycloaddition reactions relative to monomer. The synthesis and characterization of the first higher oligomers and homopolymer of pentacene should pave the way to applications in singlet fission, organic field-effect transistors, and organic photovoltaics.« less

DbMap: improving database interoperability issues in medical software using a simple, Java-Xml based solution.

PubMed Central

Karadimas, H.; Hemery, F.; Roland, P.; Lepage, E.

2000-01-01

In medical software development, the use of databases plays a central role. However, most of the databases have heterogeneous encoding and data models. To deal with these variations in the application code directly is error-prone and reduces the potential reuse of the produced software. Several approaches to overcome these limitations have been proposed in the medical database literature, which will be presented. We present a simple solution, based on a Java library, and a central Metadata description file in XML. This development approach presents several benefits in software design and development cycles, the main one being the simplicity in maintenance. PMID:11079915

An online database for plant image analysis software tools.

PubMed

Lobet, Guillaume; Draye, Xavier; Périlleux, Claire

2013-10-09

Recent years have seen an increase in methods for plant phenotyping using image analyses. These methods require new software solutions for data extraction and treatment. These solutions are instrumental in supporting various research pipelines, ranging from the localisation of cellular compounds to the quantification of tree canopies. However, due to the variety of existing tools and the lack of central repository, it is challenging for researchers to identify the software that is best suited for their research. We present an online, manually curated, database referencing more than 90 plant image analysis software solutions. The website, plant-image-analysis.org, presents each software in a uniform and concise manner enabling users to identify the available solutions for their experimental needs. The website also enables user feedback, evaluations and new software submissions. The plant-image-analysis.org database provides an overview of existing plant image analysis software. The aim of such a toolbox is to help users to find solutions, and to provide developers a way to exchange and communicate about their work.

Alterations of thorium oxalate morphology by changing elementary precipitation conditions

NASA Astrophysics Data System (ADS)

Tyrpekl, V.; Beliš, M.; Wangle, T.; Vleugels, J.; Verwerft, M.

2017-09-01

Oxalates of actinide elements are widely used in research and industry mainly due to their low solubility in aqueous solution and easy conversion to oxide. Although thorium oxide is worldwide mostly produced by the oxalate precipitation and conversion route, the powder morphology obtained through this process is known to inhibit the packing and sintering step of the pellet production. The presented work investigates the effects of oxalate precipitation conditions on the final powder morphology. Among the precipitation conditions considered are: pH of the thorium feed solution, concentration, temperature and the order of addition (thorium solution in oxalic acid solution and vice versa) known as reverse/direct strike. Herein, we show that the morphology of the final oxalate depends significantly on the above mentioned precipitation parameters.

Kinetic investigation of narrow-bore columns packed with prototype sub-2 μm superficially porous particles with various shell thickness.

PubMed

Gritti, Fabrice; Omamogho, Jesse; Guiochon, Georges

2011-10-07

The recent successful breakthrough of sub-3 μm shell particles in HPLC has triggered considerable research efforts toward the design of new brands of core-shell particles. We investigated the mass transfer mechanism of a few analytes in narrow-bore columns packed with prototype 1.7 μm shell particles, made of 1.0, 1.2, and 1.4 μm solid nonporous cores surrounded by porous shells 350, 250, and 150 nm thick, respectively. Three probe solutes, uracil, naphthalene, and insulin, were chosen to assess the kinetic performance of these columns. Inverse size exclusion chromatography, peak parking experiments, and the numerical integration of the experimental peak profiles were carried out in order to measure the external, internal, and total column porosities, the true bulk diffusion coefficients of these analytes, the height equivalent to a theoretical plate, the longitudinal diffusion term, and the trans-particle mass transfer resistance term. The residual eddy diffusion term was measured by difference. The results show the existence of important trans-column velocity biases (7%) possibly due to the presence of particle multiplets in the slurry mixture used during the packing process. Our results illustrates some of the difficulties encountered by scientists preparing and packing shell particles into narrow-bore columns. Copyright © 2011 Elsevier B.V. All rights reserved.

Ionic Strength, Surface Charge, and Packing Density Effects on the Properties of Peptide Self-Assembled Monolayers.

PubMed

Leo, Norman; Liu, Juan; Archbold, Ian; Tang, Yongan; Zeng, Xiangqun

2017-02-28

The various environmental parameters of packing density, ionic strength, and solution charge were examined for their effects on the properties of the immobilized peptide mimotope CH19 (CGSGSGSQLGPYELWELSH) that binds with the therapeutic antibody Trastuzumab (Herceptin) on a gold substrate. The immobilization of CH19 onto gold was examined with a quartz crystal microbalance (QCM). The QCM data showed the presence of intermolecular interactions resulting in the increase of viscoelastic properties of the peptide self-assembled monolayer (SAM). The CH19 SAM was diluted with CS7 (CGSGSGS) to decrease the packing density as CH19/CS7. The packing density and ionic strength parameters were evaluated by atomic force microscopy (AFM), ellipsometry, and QCM. AFM and ellipsometry showed a distinct conformational difference between CH19 and CH19/CS7, indicating a relationship between packing density and conformational state of the immobilized peptide. The CH19 SAM thickness was 40 Å with a rough topology, while the CH19/CS7 SAM thickness was 20 Å with a smooth topology. The affinity studies showed that the affinity of CH19 and CH19/CS7 to Trastuzumab were both on the order of 10 7 M -1 in undiluted PBS buffer, while the dilution of the buffer by 1000× increased both SAMs affinities to Trastuzumab to the order of 10 15 M -2 and changed the binding behavior from noncooperative to cooperative binding. This indicated that ionic strength had a more pronounced effect on binding properties of the CH19 SAM than packing density. Electrochemical impedance spectroscopy (EIS) was conducted on the CH19/CS7 SAM, which showed an increase in impedance after each EIS measurement cycle. Cyclic voltammetry on the CH19/CS7 SAM decreased impedance to near initial values. The impact of the packing density, buffer ionic strength, and local charge perturbation of the peptide SAM properties was interpreted based on the titratable sites in CH19 that could participate in the proton transfer and water equilibrium.

Privacy-preserving genome-wide association studies on cloud environment using fully homomorphic encryption

PubMed Central

2015-01-01

Objective Developed sequencing techniques are yielding large-scale genomic data at low cost. A genome-wide association study (GWAS) targeting genetic variations that are significantly associated with a particular disease offers great potential for medical improvement. However, subjects who volunteer their genomic data expose themselves to the risk of privacy invasion; these privacy concerns prevent efficient genomic data sharing. Our goal is to presents a cryptographic solution to this problem. Methods To maintain the privacy of subjects, we propose encryption of all genotype and phenotype data. To allow the cloud to perform meaningful computation in relation to the encrypted data, we use a fully homomorphic encryption scheme. Noting that we can evaluate typical statistics for GWAS from a frequency table, our solution evaluates frequency tables with encrypted genomic and clinical data as input. We propose to use a packing technique for efficient evaluation of these frequency tables. Results Our solution supports evaluation of the D′ measure of linkage disequilibrium, the Hardy-Weinberg Equilibrium, the χ2 test, etc. In this paper, we take χ2 test and linkage disequilibrium as examples and demonstrate how we can conduct these algorithms securely and efficiently in an outsourcing setting. We demonstrate with experimentation that secure outsourcing computation of one χ2 test with 10, 000 subjects requires about 35 ms and evaluation of one linkage disequilibrium with 10, 000 subjects requires about 80 ms. Conclusions With appropriate encoding and packing technique, cryptographic solutions based on fully homomorphic encryption for secure computations of GWAS can be practical. PMID:26732892

Mass balance and isotope effects during nitrogen transport through septic tank systems with packed-bed (sand) filters

USGS Publications Warehouse

Hinkle, S.R.; Böhlke, J.K.; Fisher, L.H.

2008-01-01

Septic tank systems are an important source of NO3- to many aquifers, yet characterization of N mass balance and isotope systematics following septic tank effluent discharge into unsaturated sediments has received limited attention. In this study, samples of septic tank effluent before and after transport through single-pass packed-bed filters (sand filters) were evaluated to elucidate mass balance and isotope effects associated with septic tank effluent discharge to unsaturated sediments. Chemical and isotopic data from five newly installed pairs and ten established pairs of septic tanks and packed-bed filters serving single homes in Oregon indicate that aqueous solute concentrations are affected by variations in recharge (precipitation, evapotranspiration), NH4+ sorption (primarily in immature systems), nitrification, and gaseous N loss via NH3 volatilization and(or) N2 or N2O release during nitrification/denitrification. Substantial NH4+ sorption capacity was also observed in laboratory columns with synthetic effluent. Septic tank effluent ??15N-NH4+ values were almost constant and averaged + 4.9??? ?? 0.4??? (1 ??). In contrast, ??15N values of NO3- leaving mature packed-bed filters were variable (+ 0.8 to + 14.4???) and averaged + 7.2??? ?? 2.6???. Net N loss in the two networks of packed-bed filters was indicated by average 10-30% decreases in Cl--normalized N concentrations and 2-3??? increases in ??15N, consistent with fractionation accompanying gaseous N losses and corroborating established links between septic tank effluent and NO3- in a local, shallow aquifer. Values of ??18O-NO3- leaving mature packed-bed filters ranged from - 10.2 to - 2.3??? (mean - 6.4??? ?? 1.8???), and were intermediate between a 2/3 H2O-O + 1/3 O2-O conceptualization and a 100% H2O-O conceptualization of ??18O-NO3- generation during nitrification.

6-PACK programme to decrease fall injuries in acute hospitals: cluster randomised controlled trial

PubMed Central

Morello, Renata T; Wolfe, Rory; Brand, Caroline A; Haines, Terry P; Hill, Keith D; Brauer, Sandra G; Botti, Mari; Cumming, Robert G; Livingston, Patricia M; Sherrington, Catherine; Zavarsek, Silva; Lindley, Richard I; Kamar, Jeannette

2016-01-01

Objective To evaluate the effect of the 6-PACK programme on falls and fall injuries in acute wards. Design Cluster randomised controlled trial. Setting Six Australian hospitals. Participants All patients admitted to 24 acute wards during the trial period. Interventions Participating wards were randomly assigned to receive either the nurse led 6-PACK programme or usual care over 12 months. The 6-PACK programme included a fall risk tool and individualised use of one or more of six interventions: “falls alert” sign, supervision of patients in the bathroom, ensuring patients’ walking aids are within reach, a toileting regimen, use of a low-low bed, and use of a bed/chair alarm. Main outcome measures The co-primary outcomes were falls and fall injuries per 1000 occupied bed days. Results During the trial, 46 245 admissions to 16 medical and eight surgical wards occurred. As many people were admitted more than once, this represented 31 411 individual patients. Patients’ characteristics and length of stay were similar for intervention and control wards. Use of 6-PACK programme components was higher on intervention wards than on control wards (incidence rate ratio 3.05, 95% confidence interval 2.14 to 4.34; P<0.001). In all, 1831 falls and 613 fall injuries occurred, and the rates of falls (incidence rate ratio 1.04, 0.78 to 1.37; P=0.796) and fall injuries (0.96, 0.72 to 1.27; P=0.766) were similar in intervention and control wards. Conclusions Positive changes in falls prevention practice occurred following the introduction of the 6-PACK programme. However, no difference was seen in falls or fall injuries between groups. High quality evidence showing the effectiveness of falls prevention interventions in acute wards remains absent. Novel solutions to the problem of in-hospital falls are urgently needed. Trial registration Australian New Zealand Clinical Trials Registry ACTRN12611000332921. PMID:26813674

Kaolin-based hemostatic dressing improves hemorrhage control from a penetrating inferior vena cava injury in coagulopathic swine.

PubMed

Koko, Kiavash R; McCauley, Brian M; Gaughan, John P; Nolan, Ryan S; Fromer, Marc W; Hagaman, Ashleigh L R; Choron, Rachel L; Brown, Spencer A; Hazelton, Joshua P

2017-07-01

Retrohepatic inferior vena cava (RIVC) injuries are often lethal due to challenges in obtaining hemorrhage control. We hypothesized that packing with a new kaolin-based hemostatic dressing (Control+; Z-Medica, Wallingford, CT) would improve hemorrhage control from a penetrating RIVC injury compared with packing with standard laparotomy sponges alone. Twelve male Yorkshire pigs received a 25% exchange transfusion of blood for refrigerated normal saline to induce a hypothermic coagulopathy. A laparotomy was performed and a standardized 1.5 cm injury to the RIVC was created which was followed by temporary abdominal closure and a period of uncontrolled hemorrhage. When the mean arterial pressure reached 70% of baseline, demonstrating hemorrhagic shock, the abdomen was re-entered, and the injury was treated with perihepatic packing using standard laparotomy sponges (L; n = 6) or a new kaolin-based hemostatic dressing (K; n = 6). Animals were then resuscitated for 6 hours with crystalloid solution. The two groups were compared using the Wilcoxon rank sum test and Fisher exact test. A p value of 0.05 or less was considered statistically significant. There was no difference in the animal's temperature, heart rate, mean arterial pressure, cardiac output, and blood loss at baseline or before packing was performed (all p > 0.05). In the laparotomy sponge group, five of six pigs survived the entire study period, whereas all six pigs treated with kaolin-based D2 hemostatic dressings survived. Importantly, there was significantly less blood loss after packing with the new hemostatic kaolin-based dressing compared with packing with laparotomy sponge (651 ± 180 mL vs. 1073 ± 342 mL; p ≤ 0.05). These results demonstrate that the use of this new hemostatic kaolin-based dressing improved hemorrhage control and significantly decreased blood loss in this penetrating RIVC model. This is basic science research based on a large animal model, level V.

Model simulation and experiments of flow and mass transport through a nano-material gas filter

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Xiaofan; Zheng, Zhongquan C.; Winecki, Slawomir

2013-11-01

A computational model for evaluating the performance of nano-material packed-bed filters was developed. The porous effects of the momentum and mass transport within the filter bed were simulated. For the momentum transport, an extended Ergun-type model was employed and the energy loss (pressure drop) along the packed-bed was simulated and compared with measurement. For the mass transport, a bulk dsorption model was developed to study the adsorption process (breakthrough behavior). Various types of porous materials and gas flows were tested in the filter system where the mathematical models used in the porous substrate were implemented and validated by comparing withmore » experimental data and analytical solutions under similar conditions. Good agreements were obtained between experiments and model predictions.« less

Extraction of dye from aqueous solution in rotating packed bed.

PubMed

Modak, Jayant B; Bhowal, Avijit; Datta, Siddhartha

2016-03-05

The influence of centrifugal acceleration on mass transfer rates in liquid-liquid extraction was investigated experimentally in rotating packed bed (RPB) contactor. The extraction of methyl red using xylene was studied in the equipment. The effect of rotational speed (300-900rpm), flow rate of the aqueous (4.17-20.8×10(-6)m(3)/s), and organic phase (0.83-2.5×10(-6)m(3)/s) on the mass transfer performance was examined. The maximum stage efficiency attained was ∼0.98 at aqueous to organic flow rate ratio of 10. The results suggest that contactor volume required to carry out a given separation can be reduced by an order of magnitude with RPB in comparison to conventional extractors. Copyright © 2015 Elsevier B.V. All rights reserved.

Elastic properties and atomic bonding character in metallic glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rouxel, T., E-mail: tanguy.rouxel@univ-rennes1.fr; Yokoyama, Y.

2015-07-28

The elastic properties of glasses from different metallic systems were studied in the light of the atomic packing density and bonding character. We found that the electronegativity mismatch (Δe{sup −}) between the host- and the major solute-elements provides a plausible explanation to the large variation observed for Poisson's ratio (ν) among metallic glasses (MGs) (from 0.28 for Fe-based to 0.43 for Pd-based MGs), notwithstanding a similar atomic packing efficiency (C{sub g}). Besides, it is found that ductile MGs correspond to Δe{sup −} smaller than 0.5 and to a relatively steep atomic potential well. Ductility is, thus, favored in MGs exhibitingmore » a weak bond directionality on average and opposing a strong resistance to volume change.« less

Tunable porous nanoallotropes prepared by post-assembly etching of binary nanoparticle superlattices

NASA Astrophysics Data System (ADS)

Udayabhaskararao, Thumu; Altantzis, Thomas; Houben, Lothar; Coronado-Puchau, Marc; Langer, Judith; Popovitz-Biro, Ronit; Liz-Marzán, Luis M.; Vuković, Lela; Král, Petr; Bals, Sara; Klajn, Rafal

2017-10-01

Self-assembly of inorganic nanoparticles has been used to prepare hundreds of different colloidal crystals, but almost invariably with the restriction that the particles must be densely packed. Here, we show that non-close-packed nanoparticle arrays can be fabricated through the selective removal of one of two components comprising binary nanoparticle superlattices. First, a variety of binary nanoparticle superlattices were prepared at the liquid-air interface, including several arrangements that were previously unknown. Molecular dynamics simulations revealed the particular role of the liquid in templating the formation of superlattices not achievable through self-assembly in bulk solution. Second, upon stabilization, all of these binary superlattices could be transformed into distinct “nanoallotropes”—nanoporous materials having the same chemical composition but differing in their nanoscale architectures.

Thermodynamics of dilute 3He-4He solid solutions with hcp structure

NASA Astrophysics Data System (ADS)

Chishko, K. A.

2018-02-01

To interpret the anomalies in heat capacity CV(T) and temperature-dependent pressure P(T) of solid hexagonal close-packed (hcp) 4He we exploit the model of hcp crystalline polytype with specific lattice degrees of freedom and describe the thermodynamics of impurity-free 4He solid as superposition of phononic and polytypic contributions. The hcp-based polytype is a stack of 2D basal atomic monolayers on triangular lattice packed with arbitrary long (up to infinity) spatial period along the hexagonal c axis perpendicular to the basal planes. It is a crystal with perfect ordering along the layers, but without microscopic translational symmetry in perpendicular direction (which remains, nevertheless, the rotational crystallographic axis of third order, so that the polytype can be considered as semidisordered system). Each atom of the hcp polytype has twelve crystallographic neighbors in both first and second coordination spheres at any arbitrary packing order. It is shown that the crystal of such structure behaves as anisotropic elastic medium with specific dispersion law of phonon excitations along c axis. The free energy and the heat capacity consist of two terms: one of them is a normal contribution [with CV(T) ˜ T3] from phonon excitations in an anisotropic lattice of hexagonal symmetry, and another term (an "excessive" heat) is a contribution resulted by packing entropy from quasi-one-dimensional system of 2D basal planes on triangular lattice stacked randomly along c axis without braking the closest pack between neighboring atomic layers. The excessive part of the free energy has been treated within 1D quasi-Ising (lattice gas) model using the transfer matrix approach. This model makes us possible to interpret successfully the thermodynamic anomaly (heat capacity peak in hcp 4He) observed experimentally.

The geometry of protein hydration

NASA Astrophysics Data System (ADS)

Persson, Filip; Söderhjelm, Pär; Halle, Bertil

2018-06-01

Based on molecular dynamics simulations of four globular proteins in dilute aqueous solution, with three different water models, we examine several, essentially geometrical, aspects of the protein-water interface that remain controversial or incompletely understood. First, we compare different hydration shell definitions, based on spatial or topological proximity criteria. We find that the best method for constructing monolayer shells with nearly complete coverage is to use a 5 Å water-carbon cutoff and a 4 Å water-water cutoff. Using this method, we determine a mean interfacial water area of 11.1 Å2 which appears to be a universal property of the protein-water interface. We then analyze the local coordination and packing density of water molecules in the hydration shells and in subsets of the first shell. The mean polar water coordination number in the first shell remains within 1% of the bulk-water value, and it is 5% lower in the nonpolar part of the first shell. The local packing density is obtained from additively weighted Voronoi tessellation, arguably the most physically realistic method for allocating space between protein and water. We find that water in all parts of the first hydration shell, including the nonpolar part, is more densely packed than in the bulk, with a shell-averaged density excess of 6% for all four proteins. We suggest reasons why this value differs from previous experimental and computational results, emphasizing the importance of a realistic placement of the protein-water dividing surface and the distinction between spatial correlation and packing density. The protein-induced perturbation of water coordination and packing density is found to be short-ranged, with an exponential decay "length" of 0.6 shells. We also compute the protein partial volume, analyze its decomposition, and argue against the relevance of electrostriction.

Size exclusion chromatographic analysis of refuse-derived fuel for mycotoxins

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bicking, M.K.; Kniseley, R.N.

1980-11-01

A Styragel packing material is characterized in several solvent systems by using a series of test solutes and mycotoxins. Differences in interpretation with other work are discussed. Three different separation modes are generated on one stationary phase. An improved separation of mycotoxins from a compilcated matrix results by simultaneously using size exclusion and liquid-liquid partitioning. 4 figures, 3 tables.

New Whole-House Solutions Case Study: Schneider Homes, Inc.

DOE Office of Scientific and Technical Information (OSTI.GOV)

none,

2013-02-01

Schneider Homes cut energy use by 50% over the 2004 IECC on 28 homes built near Seattle in 2008. Schneider packed the walls with R-23 of blown fiberglass and blanketed the ceiling with R-38 of blown cellulose. Ducts went into conditioned space through open-web floor trusses between floors and air handlers went into an air sealed garage closet.

A lifelong learning hyper-heuristic method for bin packing.

PubMed

Sim, Kevin; Hart, Emma; Paechter, Ben

2015-01-01

We describe a novel hyper-heuristic system that continuously learns over time to solve a combinatorial optimisation problem. The system continuously generates new heuristics and samples problems from its environment; and representative problems and heuristics are incorporated into a self-sustaining network of interacting entities inspired by methods in artificial immune systems. The network is plastic in both its structure and content, leading to the following properties: it exploits existing knowledge captured in the network to rapidly produce solutions; it can adapt to new problems with widely differing characteristics; and it is capable of generalising over the problem space. The system is tested on a large corpus of 3,968 new instances of 1D bin-packing problems as well as on 1,370 existing problems from the literature; it shows excellent performance in terms of the quality of solutions obtained across the datasets and in adapting to dynamically changing sets of problem instances compared to previous approaches. As the network self-adapts to sustain a minimal repertoire of both problems and heuristics that form a representative map of the problem space, the system is further shown to be computationally efficient and therefore scalable.

Biodegradable metal adsorbent synthesized by graft polymerization onto nonwoven cotton fabric

NASA Astrophysics Data System (ADS)

Sekine, Ayako; Seko, Noriaki; Tamada, Masao; Suzuki, Yoshio

2010-01-01

A fibrous adsorbent for Hg ions was synthesized by radiation-induced emulsion graft polymerization of glycidyl methacrylate (GMA) onto a nonwoven cotton fabric and subsequent chemical modification. The optimal pre-irradiation dose for initiation of the graft polymerization of GMA, which minimized the effects of radiation damage on the mechanical strength of the nonwoven cotton fabric, was found to be 10 kGy. The GMA-grafted nonwoven cotton fabric was subsequently modified with ethylenediamine (EDA) or diethylenetriamine (DETA) to obtain a Hg adsorbent. The resulting amine-type adsorbents were evaluated for batch and continuous adsorption of Hg. In batch adsorption, the distribution coefficients of Hg reached 1.9×10 5 and 1.0×10 5 for EDA- and DETA-type adsorbents, respectively. A column packed with EDA-type adsorbent removed Hg from 1.8 ppm Hg solution at a space velocity of 100 h -1, which corresponds to 16,000 times the volume of the packed adsorbent. The adsorbed Hg on the EDA-type adsorbent could be completely eluted by 1 M HCl solution. A microbial oxidative degradation test revealed that the EDA-type adsorbent is biodegradable.

Self-Interaction Chromatography of mAbs: Accurate Measurement of Dead Volumes.

PubMed

Hedberg, S H M; Heng, J Y Y; Williams, D R; Liddell, J M

2015-12-01

Measurement of the second virial coefficient B22 for proteins using self-interaction chromatography (SIC) is becoming an increasingly important technique for studying their solution behaviour. In common with all physicochemical chromatographic methods, measuring the dead volume of the SIC packed column is crucial for accurate retention data; this paper examines best practise for dead volume determination. SIC type experiments using catalase, BSA, lysozyme and a mAb as model systems are reported, as well as a number of dead column measurements. It was observed that lysozyme and mAb interacted specifically with Toyopearl AF-Formyl dead columns depending upon pH and [NaCl], invalidating their dead volume usage. Toyopearl AF-Amino packed dead columns showed no such problems and acted as suitable dead columns without any solution condition dependency. Dead volume determinations using dextran MW standards with protein immobilised SIC columns provided dead volume estimates close to those obtained using Toyopearl AF-Amino dead columns. It is concluded that specific interactions between proteins, including mAbs, and select SIC support phases can compromise the use of some standard approaches for estimating the dead volume of SIC columns. Two other methods were shown to provide good estimates for the dead volume.

Evaluation of ODS-AQ stationary phase for use in capillary electrochromatography.

PubMed

Djordjevic, N M; Fitzpatrick, F; Houdiere, F

2001-04-01

The aim of this study was to evaluate the applicability of ODS-AQ packing material as a stationary phase in capillary electrochromatography (CEC). The electroosmotic flow created on an ODS-AQ stationary phase was measured at different mobile phase compositions and at different column temperatures. It was observed that the electroosmotic flow generated in the column increased by 50% when the temperature of the system was raised from 20 degrees C to 60 degrees C, while all other conditions were kept constant. The electroosmotic flow produced by the ODS-AQ stationary phase was found to be comparable to the flow generated in a column packed with Nucleosil bare-silica material. In addition, a set of polar compounds (D-lysergic acid diethylamide derivatives) was utilized to determine the influence of temperature and mobile phase composition on their chromatographic behavior on an ODS-AQ stationary phase in a CEC mode. A linear relationship between the solute retention factor and column temperatures was seen over the temperature range studied (20 degrees C to 60 degrees C). A quadratic function was used to describe the changes in the solute retention factors with variation of acetonitrile concentration in the mobile phase.

In silico study of full-length amyloid beta 1-42 tri- and penta-oligomers in solution.

PubMed

Masman, Marcelo F; Eisel, Ulrich L M; Csizmadia, Imre G; Penke, Botond; Enriz, Ricardo D; Marrink, Siewert Jan; Luiten, Paul G M

2009-08-27

Amyloid oligomers are considered to play causal roles in the pathogenesis of amyloid-related degenerative diseases including Alzheimer's disease. Using MD simulation techniques, we explored the contributions of the different structural elements of trimeric and pentameric full-length Abeta1-42 aggregates in solution to their stability and conformational dynamics. We found that our models are stable at a temperature of 310 K, and converge toward an interdigitated side-chain packing for intermolecular contacts within the two beta-sheet regions of the aggregates: beta1 (residues 18-26) and beta2 (residues 31-42). MD simulations reveal that the beta-strand twist is a characteristic element of Abeta-aggregates, permitting a compact, interdigitated packing of side chains from neighboring beta-sheets. The beta2 portion formed a tightly organized beta-helix, whereas the beta1 portion did not show such a firm structural organization, although it maintained its beta-sheet conformation. Our simulations indicate that the hydrophobic core comprising the beta2 portion of the aggregate is a crucial stabilizing element in the Abeta aggregation process. On the basis of these structure-stability findings, the beta2 portion emerges as an optimal target for further antiamyloid drug design.

ENGINEERING APPLICATIONS OF ANALOG COMPUTERS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bryant, L.T.; Janicke, M.J.; Just, L.C.

1963-10-31

Six experiments from the fields of reactor engineering, heat transfer, and dynamics are presented to illustrate the engineering applications of analog computers. The steps required for producing the analog solution are shown, as well as complete information for duplicating the solution. Graphical results are provided. The experiments include: deceleration of a reactor control rod, pressure variations through a packed bed, reactor kinetics over many decades with thermal feedback, a vibrating system with two degrees of freedom, temperature distribution in a radiating fin, temperature distribution in an infinite slab considering variable thermal properties, and iodine -xenon buildup in a reactor. (M.C.G.)

Monte Carlo and mean-field studies of phase evolution in concentrated surfactant solutions

NASA Astrophysics Data System (ADS)

Bohbot, Yardena; Ben-Shaul, Avinoam; Granek, Rony; Gelbart, William M.

1995-11-01

A two-dimensional lattice model, originally introduced by Granek et al. [J. Chem. Phys. 101, 4331 (1994)], is used to demonstrate the intricate coupling between the intramicellar interactions that determine the optimal aggregation geometry of surfactant molecules in dilute solution, and the intermicellar interactions that govern the phase behavior at higher concentrations. Three very different scenarios of self-assembly and phase evolution are analyzed in detail, based on Monte Carlo studies and theoretical interpretations involving mean-field, Landau-Ginzburg, Bethe-Peierls, and virial expansion schemes. The basic particles in the model are ``unit micelles'' which, due to spontaneous self-assembly or because of excluded area interactions, can fuse to form larger aggregates. These aggregates are envisaged as flat micelles composed of a bilayerlike body surrounded by a curved semitoroidal rim. The system's Hamiltonian involves one- through four-body potentials between the unit micelles, which account for their tendency to form aggregates of different shapes, e.g., elongated vs disklike micelles. Equivalently, the configurational energy of the system is a sum of micellar self-energies involving the packing free energies of the constituent molecules in the bilayer body and in rim segments of different local curvature. The rim energy is a sum of a line tension term and a 1D curvature energy which depends on the rim spontaneous curvature and bending rigidity. Different combinations of these molecular parameters imply different optimal packing geometries and hence different self-assembly and phase behaviors. The emphasis in this paper is on systems of ``curvature loving'' amphiphiles which, in our model, are characterized by negative line tension. The three systems studied are: (i) A dilute solution of stable disklike micelles which, upon increasing the concentration, undergoes a first-order phase transition to a continuous bilayer with isolated hole defects. An intermediate modulated ``checkerboard'' phase appears under certain conditions at low temperatures. (ii) A system of unit micelles which in dilute solution tend to associate into linear micelles. These micelles are rodlike at low temperatures, becoming increasingly more flexible as the temperature increases. Upon increasing the concentration the micelles grow and undergo (in 2D) a continuous transition into nematic and ``stripe'' phases of long rods. At still higher concentrations the micellar stripes fuse into continuous sheets with line defects. (iii) A system in which, already in dilute solution, the micelles favor the formation of branched aggregates, analogous to the branched cylindrical micelles recently observed in certain surfactant solutions. As the concentration increases the micelles associate into networks (``gels'') composed of a mesh of linear micelles linked by ``T-like'' intermicellar junctions. The network may span the entire system or phase separate and coexist with a dilute micellar phase, depending on the details of the molecular packing parameters.

Laboratory Testing of Volcanic Gas Sampling Techniques

NASA Astrophysics Data System (ADS)

Kress, V. C.; Green, R.; Ortiz, M.; Delmelle, P.; Fischer, T.

2003-12-01

A series of laboratory experiments were performed designed to calibrate several commonly used methods for field measurement of volcanic gas composition. H2, CO2, SO2 and CHCl2F gases were mixed through carefully calibrated rotameters to form mixtures representative of the types of volcanic compositions encountered at Kilauea and Showa-Shinzan. Gas mixtures were passed through a horizontal furnace at 700oC to break down CHCl2F and form an equilibrium high-temperature mixture. With the exception of Giggenbach bottle samples, all gas sampling was performed adjacent to the furnace exit in order to roughly simulate the air-contaminated samples encountered in Nature. Giggenbach bottle samples were taken from just beyond the hot-spot 10cm down the furnace tube to minimize atmospheric contamination. Alkali-trap measurements were performed by passing gases over or bubbling gases through 6N KOH, NaOH or LiOH solution for 10 minutes. Results were highly variable with errors in measured S/Cl varying from +1600% to -19%. In general reduced Kilauea compositions showed smaller errors than the more oxidized Showa-Shinzan compositions. Results were not resolvably different in experiments where gas was bubbled through the alkaline solution. In a second set of experiments, 25mm circles of Whatman 42 filter paper were impregnated with NaHCO3or KHCO3 alkaline solutions stabilized with glycerol. Some filters also included Alizarin (5.6-7.2) and neutral red (6.8-8.0) Ph indicator to provide a visual monitor of gas absorption. Filters were mounted in individual holders and used in stacks of 3. Durations were adjusted to maximize reaction in the first filter in the stack and minimize reaction in the final filter. Errors in filter pack measurements were smaller and more systematic than the alkali trap measurements. S/Cl was overestimated in oxidized gas mixtures and underestimated in reduced mixtures. Alkali-trap methods allow extended unattended monitoring of volcanic gasses, but our results suggest that they are poor recorders of gas composition. Filter pack methods are somewhat better, but are more difficult to interpret than previously recognized. We suggest several refinements to the filter-pack technique that can improve accuracy. Giggenbach bottles remain the best method for volcanic gas sampling, despite the inherent difficulty and danger of obtaining samples in active volcanic environments. Relative merits of different alkali solutions and indicators are discussed.

The case for the plain packaging of tobacco products.

PubMed

Freeman, Becky; Chapman, Simon; Rimmer, Matthew

2008-04-01

The Framework Convention on Tobacco Control (FCTC) requires nations that have ratified the convention to ban all tobacco advertising and promotion. In the face of these restrictions, tobacco packaging has become the key promotional vehicle for the tobacco industry to interest smokers and potential smokers in tobacco products. This paper reviews available research into the probable impact of mandatory plain packaging and internal tobacco industry statements about the importance of packs as promotional vehicles. It critiques legal objections raised by the industry about plain packaging violating laws and international trade agreements. Searches for available evidence were conducted within the internal tobacco industry documents through the online document archives; tobacco industry trade publications; research literature through the Medline and Business Source Premier databases; and grey literature including government documents, research reports and non-governmental organization papers via the Google internet search engine. Plain packaging of all tobacco products would remove a key remaining means for the industry to promote its products to billions of the world's smokers and future smokers. Governments have required large surface areas of tobacco packs to be used exclusively for health warnings without legal impediment or need to compensate tobacco companies. Requiring plain packaging is consistent with the intention to ban all tobacco promotions. There is no impediment in the FCTC to interpreting tobacco advertising and promotion to include tobacco packs.

Test Scheduling for Core-Based SOCs Using Genetic Algorithm Based Heuristic Approach

NASA Astrophysics Data System (ADS)

Giri, Chandan; Sarkar, Soumojit; Chattopadhyay, Santanu

This paper presents a Genetic algorithm (GA) based solution to co-optimize test scheduling and wrapper design for core based SOCs. Core testing solutions are generated as a set of wrapper configurations, represented as rectangles with width equal to the number of TAM (Test Access Mechanism) channels and height equal to the corresponding testing time. A locally optimal best-fit heuristic based bin packing algorithm has been used to determine placement of rectangles minimizing the overall test times, whereas, GA has been utilized to generate the sequence of rectangles to be considered for placement. Experimental result on ITC'02 benchmark SOCs shows that the proposed method provides better solutions compared to the recent works reported in the literature.

Soluble Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene Derivatives for Solution-Processed Organic Field-Effect Transistors.

PubMed

Sawamoto, Masanori; Kang, Myeong Jin; Miyazaki, Eigo; Sugino, Hiroyoshi; Osaka, Itaru; Takimiya, Kazuo

2016-02-17

We demonstrate a new approach to solution-processable dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene (DNTT) derivatives that can afford good thin-film transistors having mobilities higher than 0.1 cm(2) V(-1) s(-1). The key molecular design strategy is the introduction of one branched alkyl group at the edge of the DNTT core, which improves solubility while retaining semiconducting characteristics in the thin-film state. Dialkylation, i.e., the introduction of two branched alkyl groups on the DNTT core, had a detrimental effect on the semiconducting properties. Although the physicochemical properties of the mono- and dialkylated derivatives at the molecular level were almost the same, the thin-film absorption spectra and the ionization potentials (IPs) were markedly different, indicating that the intermolecular interaction in the thin-film state was affected by the number of alkyl groups. Indeed, the packing structures of the monoalkylated DNTTs in the thin-film state, which were estimated from the XRD patterns, were similar to that of parent DNTT, indicating the existence of the lamella structure with the herringbone packing motif. In sharp contrast, the XRD patterns of the dialkylated DNTT thin films showed poor crystallinity, and the packing structures were significantly different from that of parent DNTT. All the results of structural characterization in the thin-film state and evaluation of device characteristics of the DNTT derivatives with branched alkyl groups indicate that the introduction of a branched alkyl group in the molecular long-axis direction is an effective way to solubilize the rigid, largely π-extended organic semiconducting core without interfering with the semiconducting characteristics in the thin-film state.

MyMolDB: a micromolecular database solution with open source and free components.

PubMed

Xia, Bing; Tai, Zheng-Fu; Gu, Yu-Cheng; Li, Bang-Jing; Ding, Li-Sheng; Zhou, Yan

2011-10-01

To manage chemical structures in small laboratories is one of the important daily tasks. Few solutions are available on the internet, and most of them are closed source applications. The open-source applications typically have limited capability and basic cheminformatics functionalities. In this article, we describe an open-source solution to manage chemicals in research groups based on open source and free components. It has a user-friendly interface with the functions of chemical handling and intensive searching. MyMolDB is a micromolecular database solution that supports exact, substructure, similarity, and combined searching. This solution is mainly implemented using scripting language Python with a web-based interface for compound management and searching. Almost all the searches are in essence done with pure SQL on the database by using the high performance of the database engine. Thus, impressive searching speed has been archived in large data sets for no external Central Processing Unit (CPU) consuming languages were involved in the key procedure of the searching. MyMolDB is an open-source software and can be modified and/or redistributed under GNU General Public License version 3 published by the Free Software Foundation (Free Software Foundation Inc. The GNU General Public License, Version 3, 2007. Available at: http://www.gnu.org/licenses/gpl.html). The software itself can be found at http://code.google.com/p/mymoldb/. Copyright © 2011 Wiley Periodicals, Inc.

Accumulation of Colloidal Particles in Flow Junctions Induced by Fluid Flow and Diffusiophoresis

NASA Astrophysics Data System (ADS)

Shin, Sangwoo; Ault, Jesse T.; Warren, Patrick B.; Stone, Howard A.

2017-10-01

The flow of solutions containing solutes and colloidal particles in porous media is widely found in systems including underground aquifers, hydraulic fractures, estuarine or coastal habitats, water filtration systems, etc. In such systems, solute gradients occur when there is a local change in the solute concentration. While the effects of solute gradients have been found to be important for many applications, we observe an unexpected colloidal behavior in porous media driven by the combination of solute gradients and the fluid flow. When two flows with different solute concentrations are in contact near a junction, a sharp solute gradient is formed at the interface, which may allow strong diffusiophoresis of the particles directed against the flow. Consequently, the particles accumulate near the pore entrance, rapidly approaching the packing limit. These colloidal dynamics have important implications for the clogging of a porous medium, where particles that are orders of magnitude smaller than the pore width can accumulate and block the pores within a short period of time. We also show that this effect can be exploited as a useful tool for preconcentrating biomolecules for rapid bioassays.

Coherent Backscattering and Opposition Effects Observed in Some Atmosphereless Bodies of the Solar System

NASA Technical Reports Server (NTRS)

Dlugach, Zh. M.; Mishchenko, M. I.

2013-01-01

The results of photometric and polarimetric observations carried out for some bright atmosphere-less bodies of the Solar system near the zero phase angle reveal the simultaneous existence of two spectacular optical phenomena, the so-called brightness and polarization opposition effects. In a number of studies, these phenomena were explained by the influence of coherent backscattering. However, in general, the interference concept of coherent backscattering can be used only in the case where the particles are in the far-field zones of each other, i.e., when the scattering medium is rather rarefied. Because of this, it is important to prove rigorously and to demonstrate that the coherent backscattering effect may also exist in densely packed scattering media like regolith surface layers of celestial bodies. From the results of the computer modeling performed with the use of numerically exact solutions of the macroscopic Maxwell equations for discrete random media with different packing densities of particles, we studied the origin and evolution of all the opposition phenomena predicted by the coherent backscattering theory for low-packing-density media. It has been shown that the predictions of this theory remain valid for rather high-packing densities of particles that are typical, in particular, of regolith surfaces of the Solar system bodies. The results allow us to conclude that both opposition effects observed simultaneously in some high-albedo atmosphereless bodies of the Solar system are caused precisely by coherent backscattering of solar light in the regolith layers composed of microscopic particles.

2D-crystallization of Rhodococcus 20S proteasome at the liquid-liquid interface

NASA Astrophysics Data System (ADS)

Aoyama, Kazuhiro

1996-10-01

The 2D-crystallization method using the liquid-liquid interface between a aqueous phase (protein solution) and a thin organic liquid (dehydroabietylamine) layer has been applied to the Rhodococcus 20S proteasome. The 20S proteasome is known to be the core complex of the 26S proteasome, which is the central protease of the ubiquitin-dependent pathway. Two types of ordered arrays were obtained, both large enough for high resolution analysis by electron crystallography. The first one had a four-fold symmetry, whereas the second one was found out to be a hexagonally close-packed array. By image analysis based on a real space correlation averaging (CAV) technique, the close-packed array was found to be hexagonally packed, but the molecules had presumably rotational freedom. The four-fold array was found to be a true crystal with p4 symmetry. Lattice constants were a = b = 20.0 nm and α = 90°. The unit cell of this crystal contained two molecules. The diffraction pattern computed from the original picture showed spots up to (4, 5) that corresponds to 3.1 nm resolution. After applying an unbending procedure, the diffraction pattern showed spots extending to 1.8 nm resolution.

Crystal packing modifies ligand binding affinity: the case of aldose reductase.

PubMed

Cousido-Siah, Alexandra; Petrova, Tatiana; Hazemann, Isabelle; Mitschler, André; Ruiz, Francesc X; Howard, Eduardo; Ginell, Stephan; Atmanene, Cédric; Van Dorsselaer, Alain; Sanglier-Cianférani, Sarah; Joachimiak, Andrzej; Podjarny, Alberto

2012-11-01

The relationship between the structures of protein-ligand complexes existing in the crystal and in solution, essential in the case of fragment-based screening by X-ray crystallography (FBS-X), has been often an object of controversy. To address this question, simultaneous co-crystallization and soaking of two inhibitors with different ratios, Fidarestat (FID; K(d) = 6.5 nM) and IDD594 (594; K(d) = 61 nM), which bind to h-aldose reductase (AR), have been performed. The subatomic resolution of the crystal structures allows the differentiation of both inhibitors, even when the structures are almost superposed. We have determined the occupation ratio in solution by mass spectrometry (MS) Occ(FID)/Occ(594) = 2.7 and by X-ray crystallography Occ(FID)/Occ(594) = 0.6. The occupancies in the crystal and in solution differ 4.6 times, implying that ligand binding potency is influenced by crystal contacts. A structural analysis shows that the Loop A (residues 122-130), which is exposed to the solvent, is flexible in solution, and is involved in packing contacts within the crystal. Furthermore, inhibitor 594 contacts the base of Loop A, stabilizing it, while inhibitor FID does not. This is shown by the difference in B-factors of the Loop A between the AR-594 and AR-FID complexes. A stable loop diminishes the entropic energy barrier to binding, favoring 594 versus FID. Therefore, the effect of the crystal environment should be taken into consideration in the X-ray diffraction analysis of ligand binding to proteins. This conclusion highlights the need for additional methodologies in the case of FBS-X to validate this powerful screening technique, which is widely used. Copyright © 2012 Wiley Periodicals, Inc.

Enhanced removal of NAPL constituent from aquifer during surfactant flushing with aqueous hydraulic barriers of high viscosity.

PubMed

Ahn, Dayoung; Choi, Jae-Kyeong; Kim, Heonki

2017-06-07

This study examines the effect of controlled groundwater flow paths induced by hydraulic barriers on the removal of NAPL constituent. An aqueous solution of thickener [0.05% (w/v) sodium carboxymethyl cellulose, SCMC] was continuously injected into a horizontally set two-dimensional physical model (sand-packed), forming aqueous plume(s) of high viscosity. The water flux at the down gradient of the model was measured using a flux tracer (n-octanol) and passive flux meter (PFM, packs of granular activated carbon). A non-reactive tracer (pentafluorobenzoic acid, PFBA) was used to identify the plume of high viscosity (hydraulic barrier) and ambient groundwater. When the barrier of high viscosity was formed, the plume was separated from the background water with little mixing, which was confirmed by the concentration profile of PFBA; whereas, the measured flux of ambient groundwater showed a distinctive distribution, due to the hydraulic barrier. When two barriers were set, the ambient water flux was enhanced in the middle, and the removal rate of PCE from the non-aqueous phase liquid (NAPL), measured by PFM, was found to improve by 26% during three hours of water flushing. When an aqueous solution of surfactant [0.37% (w/v), sodium dodecyl sulfate, SDS] was applied instead of water into the domain with two barriers set around the NAPL-contaminated spot, the removal of PCE from the NAPL increased by 101% for a three-hour time period. Based on the observations made in this study, hydraulic barriers formed by continuous injection of thickener solution change the flow direction of groundwater, and may increase the flux of groundwater (or aqueous solution of remediation agent) through a NAPL-contaminated region, improving the removal of NAPL.

Evolution of mixed surfactant aggregates in solutions and at solid/solution interfaces

NASA Astrophysics Data System (ADS)

Zhang, Rui

Surfactant systems have been widely used in such as enhanced oil recovery, waste treatment and metallurgy, etc., in order to solve the problem of global energy crisis, to remove the pollutants and to generate novel energy resources. Almost all surfactant systems are invariably mixtures due to beneficial and economic considerations. The sizes and shapes of aggregates in solutions and at solid/solution interfaces become important, since the nanostructures of mixed aggregates determine solution and adsorption properties. A major hurdle in science is the lack of information on the type of complexes and aggregates formed by mixtures and the lack of techniques for deriving such information. Using techniques such as analytical ultracentrifuge, small angle neutron scattering, surface tension, fluorescence, cryo-TEM, light scattering and ultrafiltration, the nanostructures of aggregates of sugar based n-dodecyl-beta-D-maltoside (DM) and nonionic pentaethyleneglycol monododecyl ether or nonyl phenol ethoxylated decyl ether (NP-10) and their mixtures have been investigated to prove the hypothesis that the aggregation behavior is linked to packing of the surfactant governed by the molecular interactions as well as the molecular structures. The results from both sedimentation velocity and sedimentation equilibrium experiments suggest coexistence of two types of micelles in nonyl phenol ethoxylated decyl ether solutions and its mixtures with n-dodecyl-beta-D-maltoside while only one micellar species is present in n-dodecyl-beta-D-maltoside solutions, in good agreement with those from small angle neutron scattering, cryo-TEM, light scattering and ultrafiltration. Type I micelles were primary micelles at cmc while type II micelles were elongated micelles. On the other hand, the nanostructures of mixed surface aggregates have been quantitatively predicted for the first time using a modified packing index. As a continuation of the Somasundaran-Fuersteneau adsorption model, a modified one-step model has been developed to fully understand the adsorption behavior of surfactant mixtures and obtained thermodynamic information on aggregation number and standard free energy for surface aggregation. The findings are expected to provide fundamental basis for the design optimal surfactant schemes for desired purposes.

Development of a high performance (188)W/(188)Re generator by using a synthetic alumina.

PubMed

Lee, Jun Sig; Lee, Jong-Soup; Park, Ul-Jae; Son, Kwang-Jae; Han, Hyon-Soo

2009-01-01

A synthetic alumina functionalized with a sulfate moiety has been developed as the column material of (99)Mo/(99m)Tc and (188)W/(188)Re generators. This material is synthesized by a sol-gel processing. In order to characterize the adsorbent for the (188)W/(188)Re separation, both batch and column contact experiments were conducted. As a result of the experiments, it is found that the maximum capacity of the adsorbent for tungsten is higher than 450mg/g. Hence it is possible to produce approximately 3Ci (188)W/(188)Re generator with only 1g of the adsorbent from (188)W solutions supplied from ORNL, USA or RIAR, Russia. A demonstration study was conducted to show the performance of an (188)W/(188)Re generator column. In this study, 1Ci of (188)W purchased from RIAR, Russia, is loaded on a 0.9cm ID column packed with 0.7g of the adsorbent. Elution of (188)Re is performed every 4-7 days by using the saline solution for more than three months. Nearly 100% of tungsten is loaded by passing 5ml of the (188)W solution (pH=8) through the dry packed column at a 1ml/min flow rate. Elution efficiency of (188)Re is 70-90% by using 5ml of the saline solution. The ratio of (188)W/(188)Re in the eluted solution is 0.002-0.003%. When a Sep-Pak containing 0.26g of acid alumina is installed as a tandem column, the ratio is decreased to less than 10(-3)%. Thin layer chromatography for the eluted (188)Re solution shows 100% radiochemical purity. Also, alumina content in the eluted solution shows less than 10ppm. Through this study, the performance of this adsorbent was successfully demonstrated. By using the developed adsorbent, minimization of the generator column and consequently the volume of eluant could be possible while maintaining the quality of (188)Re just as much as that available in the market.

Biofiltration of air polluted with toluene under steady-state conditions: Experimental observations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kiared, K.; Fundenberger, B.; Brzezinski, R.

1997-11-01

In this study, the authors describe the removal of toluene vapors in a pilot scale biofilter. Biofiltration tests have been performed in a column fed upward with contaminated air at ambient conditions. The column was packed with a mixture of conditioned biomass and structuring agent on which a mixed microbial population of four selected strains was immobilized and then formed a biolayer. The biofilter was operated under various inlet-airstream toluene concentrations and flow rates of the contaminated airstream. Based on the present measurements, the biofilter proved effective in removing toluene at rates up to 165 g/h {center_dot} m{sup 3} ofmore » packing. The effect of some design and operation parameters (concentration of nutrients solution, presence of xylene, gas flow rate, pressure drop, temperature, etc.) are reported.« less

A comparative study of two polymorphs of L-aspartic acid hydrochloride.

PubMed

Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine

2014-07-01

Two polymorphs of L-aspartic acid hydrochloride, C4H8NO4(+)·Cl(-), were obtained from the same aqueous solution. Their crystal structures have been determined from single-crystal data collected at 100 K. The crystal structures revealed three- and two-dimensional hydrogen-bonding networks for the triclinic and orthorhombic polymorphs, respectively. The cations and anions are connected to one another via N-H···Cl and O-H···Cl interactions and form alternating cation-anion layer-like structures. The two polymorphs share common structural features; however, the conformations of the L-aspartate cations and the crystal packings are different. Furthermore, the molecular packing of the orthorhombic polymorph contains more interesting interactions which seems to be a favourable factor for more efficient charge transfer within the crystal.

Surrogate nits impregnated with white piedra--a case report.

PubMed

Ghorpade, A

2004-07-01

White piedral spores packed inside empty pedicular nits were accidentally found on microscopic examination in a 42-year-old Indian woman who presented with hair loss. The diagnosis of piedra was confirmed on culture. She responded to topical 2% miconazole nitrate solution and manual removal of the nits. This is the first case report of pedicular nits found to be impregnated with spores of white piedra.

Evaluation of heat sink materials for thermal management of lithium batteries

NASA Astrophysics Data System (ADS)

Dimpault-Darcy, E. C.; Miller, K.

Aluminum, neopentyl glycol (NPG), and resins FT and KT are evaluated theoretically and experimentally as heat sink materials for lithium battery packs. The thermal performances of the two resins are compared in a thermal vacuum experiment. As solutions to the sublimation property were not immediately apparent, a theoretical comparison of the thermal performance of NPG versus KT, Al, and no material, is presented.

Evaluation of heat sink materials for thermal management of lithium batteries

NASA Technical Reports Server (NTRS)

Dimpault-Darcy, E. C.; Miller, K.

1988-01-01

Aluminum, neopentyl glycol (NPG), and resins FT and KT are evaluated theoretically and experimentally as heat sink materials for lithium battery packs. The thermal performances of the two resins are compared in a thermal vacuum experiment. As solutions to the sublimation property were not immediately apparent, a theoretical comparison of the thermal performance of NPG versus KT, Al, and no material, is presented.

Automated CFD Database Generation for a 2nd Generation Glide-Back-Booster

NASA Technical Reports Server (NTRS)

Chaderjian, Neal M.; Rogers, Stuart E.; Aftosmis, Michael J.; Pandya, Shishir A.; Ahmad, Jasim U.; Tejmil, Edward

2003-01-01

A new software tool, AeroDB, is used to compute thousands of Euler and Navier-Stokes solutions for a 2nd generation glide-back booster in one week. The solution process exploits a common job-submission grid environment using 13 computers located at 4 different geographical sites. Process automation and web-based access to the database greatly reduces the user workload, removing much of the tedium and tendency for user input errors. The database consists of forces, moments, and solution files obtained by varying the Mach number, angle of attack, and sideslip angle. The forces and moments compare well with experimental data. Stability derivatives are also computed using a monotone cubic spline procedure. Flow visualization and three-dimensional surface plots are used to interpret and characterize the nature of computed flow fields.

Principle of Parsimony, Fake Science, and Scales

NASA Astrophysics Data System (ADS)

Yeh, T. C. J.; Wan, L.; Wang, X. S.

2017-12-01

Considering difficulties in predicting exact motions of water molecules, and the scale of our interests (bulk behaviors of many molecules), Fick's law (diffusion concept) has been created to predict solute diffusion process in space and time. G.I. Taylor (1921) demonstrated that random motion of the molecules reach the Fickian regime in less a second if our sampling scale is large enough to reach ergodic condition. Fick's law is widely accepted for describing molecular diffusion as such. This fits the definition of the parsimony principle at the scale of our concern. Similarly, advection-dispersion or convection-dispersion equation (ADE or CDE) has been found quite satisfactory for analysis of concentration breakthroughs of solute transport in uniformly packed soil columns. This is attributed to the solute is often released over the entire cross-section of the column, which has sampled many pore-scale heterogeneities and met the ergodicity assumption. Further, the uniformly packed column contains a large number of stationary pore-size heterogeneity. The solute thus reaches the Fickian regime after traveling a short distance along the column. Moreover, breakthrough curves are concentrations integrated over the column cross-section (the scale of our interest), and they meet the ergodicity assumption embedded in the ADE and CDE. To the contrary, scales of heterogeneity in most groundwater pollution problems evolve as contaminants travel. They are much larger than the scale of our observations and our interests so that the ergodic and the Fickian conditions are difficult. Upscaling the Fick's law for solution dispersion, and deriving universal rules of the dispersion to the field- or basin-scale pollution migrations are merely misuse of the parsimony principle and lead to a fake science ( i.e., the development of theories for predicting processes that can not be observed.) The appropriate principle of parsimony for these situations dictates mapping of large-scale heterogeneities as detailed as possible and adapting the Fick's law for effects of small-scale heterogeneity resulting from our inability to characterize them in detail.

An Adaptive Database Intrusion Detection System

ERIC Educational Resources Information Center

Barrios, Rita M.

2011-01-01

Intrusion detection is difficult to accomplish when attempting to employ current methodologies when considering the database and the authorized entity. It is a common understanding that current methodologies focus on the network architecture rather than the database, which is not an adequate solution when considering the insider threat. Recent…

On a High-Performance VLSI Solution to Database Problems.

DTIC Science & Technology

1981-08-01

offer such attractive features as automatic verification and. maintenance of semantic integrity, usage of views as abstraction and authorization...course, is the waste of too much potential resource. The global database may contain information for many different users and applications. In processing...working on, this may cause no damage at all, but some waste of space. Therefore one solution may be perhaps to do nothing to prevent its occurrence

The promise of macromolecular crystallization in microfluidic chips

NASA Technical Reports Server (NTRS)

van der Woerd, Mark; Ferree, Darren; Pusey, Marc

2003-01-01

Microfluidics, or lab-on-a-chip technology, is proving to be a powerful, rapid, and efficient approach to a wide variety of bioanalytical and microscale biopreparative needs. The low materials consumption, combined with the potential for packing a large number of experiments in a few cubic centimeters, makes it an attractive technique for both initial screening and subsequent optimization of macromolecular crystallization conditions. Screening operations, which require a macromolecule solution with a standard set of premixed solutions, are relatively straightforward and have been successfully demonstrated in a microfluidics platform. Optimization methods, in which crystallization solutions are independently formulated from a range of stock solutions, are considerably more complex and have yet to be demonstrated. To be competitive with either approach, a microfluidics system must offer ease of operation, be able to maintain a sealed environment over several weeks to months, and give ready access for the observation and harvesting of crystals as they are grown.

Resonant soft X-ray scattering on protein solutions

NASA Astrophysics Data System (ADS)

Ye, Dan; Le, Thinh; Wang, Cheng; Zwart, Peter; Gomez, Esther; Gomez, Enrique

Protein structure is crucial for biological function, such that characterizing protein folding and packing is important for the design of therapeutics and enzymes. We propose resonant soft X-ray scattering (RSOXS) as an approach to study proteins and other biological assemblies in solution. Calculations of the scattering contrast suggest that soft X-ray scattering is more sensitive than hard X-ray scattering, because of contrast generated at the absorption edges of constituent elements such as carbon, nitrogen and oxygen. We have examined the structure of bovine serum albumin (BSA) in solution by RSOXS. We find that by varying incident X-ray energies, we are able to achieve higher scattering contrast near the absorption edge. From our RSOXS scattering result we are able to reconstruct the structure of BSA in 3D. These RSOXS results also agree with hard X-ray experiments, including crystallographic data. Our study demonstrates the potential of RSOXS for studying protein structure in solution.

Secure quantum private information retrieval using phase-encoded queries

NASA Astrophysics Data System (ADS)

Olejnik, Lukasz

2011-08-01

We propose a quantum solution to the classical private information retrieval (PIR) problem, which allows one to query a database in a private manner. The protocol offers privacy thresholds and allows the user to obtain information from a database in a way that offers the potential adversary, in this model the database owner, no possibility of deterministically establishing the query contents. This protocol may also be viewed as a solution to the symmetrically private information retrieval problem in that it can offer database security (inability for a querying user to steal its contents). Compared to classical solutions, the protocol offers substantial improvement in terms of communication complexity. In comparison with the recent quantum private queries [Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.100.230502 100, 230502 (2008)] protocol, it is more efficient in terms of communication complexity and the number of rounds, while offering a clear privacy parameter. We discuss the security of the protocol and analyze its strengths and conclude that using this technique makes it challenging to obtain the unconditional (in the information-theoretic sense) privacy degree; nevertheless, in addition to being simple, the protocol still offers a privacy level. The oracle used in the protocol is inspired both by the classical computational PIR solutions as well as the Deutsch-Jozsa oracle.

Secure quantum private information retrieval using phase-encoded queries

DOE Office of Scientific and Technical Information (OSTI.GOV)

Olejnik, Lukasz

We propose a quantum solution to the classical private information retrieval (PIR) problem, which allows one to query a database in a private manner. The protocol offers privacy thresholds and allows the user to obtain information from a database in a way that offers the potential adversary, in this model the database owner, no possibility of deterministically establishing the query contents. This protocol may also be viewed as a solution to the symmetrically private information retrieval problem in that it can offer database security (inability for a querying user to steal its contents). Compared to classical solutions, the protocol offersmore » substantial improvement in terms of communication complexity. In comparison with the recent quantum private queries [Phys. Rev. Lett. 100, 230502 (2008)] protocol, it is more efficient in terms of communication complexity and the number of rounds, while offering a clear privacy parameter. We discuss the security of the protocol and analyze its strengths and conclude that using this technique makes it challenging to obtain the unconditional (in the information-theoretic sense) privacy degree; nevertheless, in addition to being simple, the protocol still offers a privacy level. The oracle used in the protocol is inspired both by the classical computational PIR solutions as well as the Deutsch-Jozsa oracle.« less

Archetype relational mapping - a practical openEHR persistence solution.

PubMed

Wang, Li; Min, Lingtong; Wang, Rui; Lu, Xudong; Duan, Huilong

2015-11-05

One of the primary obstacles to the widespread adoption of openEHR methodology is the lack of practical persistence solutions for future-proof electronic health record (EHR) systems as described by the openEHR specifications. This paper presents an archetype relational mapping (ARM) persistence solution for the archetype-based EHR systems to support healthcare delivery in the clinical environment. First, the data requirements of the EHR systems are analysed and organized into archetype-friendly concepts. The Clinical Knowledge Manager (CKM) is queried for matching archetypes; when necessary, new archetypes are developed to reflect concepts that are not encompassed by existing archetypes. Next, a template is designed for each archetype to apply constraints related to the local EHR context. Finally, a set of rules is designed to map the archetypes to data tables and provide data persistence based on the relational database. A comparison study was conducted to investigate the differences among the conventional database of an EHR system from a tertiary Class A hospital in China, the generated ARM database, and the Node + Path database. Five data-retrieving tests were designed based on clinical workflow to retrieve exams and laboratory tests. Additionally, two patient-searching tests were designed to identify patients who satisfy certain criteria. The ARM database achieved better performance than the conventional database in three of the five data-retrieving tests, but was less efficient in the remaining two tests. The time difference of query executions conducted by the ARM database and the conventional database is less than 130 %. The ARM database was approximately 6-50 times more efficient than the conventional database in the patient-searching tests, while the Node + Path database requires far more time than the other two databases to execute both the data-retrieving and the patient-searching tests. The ARM approach is capable of generating relational databases using archetypes and templates for archetype-based EHR systems, thus successfully adapting to changes in data requirements. ARM performance is similar to that of conventionally-designed EHR systems, and can be applied in a practical clinical environment. System components such as ARM can greatly facilitate the adoption of openEHR architecture within EHR systems.

Migration from relational to NoSQL database

NASA Astrophysics Data System (ADS)

Ghotiya, Sunita; Mandal, Juhi; Kandasamy, Saravanakumar

2017-11-01

Data generated by various real time applications, social networking sites and sensor devices is of very huge amount and unstructured, which makes it difficult for Relational database management systems to handle the data. Data is very precious component of any application and needs to be analysed after arranging it in some structure. Relational databases are only able to deal with structured data, so there is need of NoSQL Database management System which can deal with semi -structured data also. Relational database provides the easiest way to manage the data but as the use of NoSQL is increasing it is becoming necessary to migrate the data from Relational to NoSQL databases. Various frameworks has been proposed previously which provides mechanisms for migration of data stored at warehouses in SQL, middle layer solutions which can provide facility of data to be stored in NoSQL databases to handle data which is not structured. This paper provides a literature review of some of the recent approaches proposed by various researchers to migrate data from relational to NoSQL databases. Some researchers proposed mechanisms for the co-existence of NoSQL and Relational databases together. This paper provides a summary of mechanisms which can be used for mapping data stored in Relational databases to NoSQL databases. Various techniques for data transformation and middle layer solutions are summarised in the paper.

Rack 'em, pack 'em and stack 'em: challenges and opportunities in teaching large classes in higher education.

PubMed

Kumar, Saravana

2013-01-01

The higher education sector is undergoing tremendous change, driven by complex driving forces including financial, administrative, and organisational and stakeholder expectations. It is in this challenging environment, educators are required to maintain and improve the quality of teaching and learning outcomes while contending with increasing class sizes. Despite mixed evidence on the effectiveness of large classes on student outcomes, large classes continue to play an important part in higher education. While large classes pose numerous challenges, they also provide opportunities for innovative solutions. This paper provides an overview of these challenges and highlights opportunities for innovative solutions.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chemerisov, S.; Bailey, J.; Heltemes, T.

A series of four one-day irradiations was conducted with 100Mo-enriched disk targets. After irradiation, the enriched disks were removed from the target and dissolved. The resulting solution was processed using a NorthStar RadioGenix™ 99mTc generator either at Argonne National Laboratory or at the NorthStar Medical Radioisotopes facility. Runs on the RadioGenix system produced inconsistent analytical results for 99mTc in the Tc/Mo solution. These inconsistencies were attributed to the impurities in the solution or improper column packing. During the irradiations, the performance of the optic transitional radiation (OTR) and infrared cameras was tested in high radiation field. The OTR cameras survivedmore » all irradiations, while the IR cameras failed every time. The addition of X-ray and neutron shielding improved camera survivability and decreased the number of upsets.« less

A novel methodology to model the cooling processes of packed horticultural produce using 3D shape models

NASA Astrophysics Data System (ADS)

Gruyters, Willem; Verboven, Pieter; Rogge, Seppe; Vanmaercke, Simon; Ramon, Herman; Nicolai, Bart

2017-10-01

Freshly harvested horticultural produce require a proper temperature management to maintain their high economic value. Towards this end, low temperature storage is of crucial importance to maintain a high product quality. Optimizing both the package design of packed produce and the different steps in the postharvest cold chain can be achieved by numerical modelling of the relevant transport phenomena. This work presents a novel methodology to accurately model both the random filling of produce in a package and the subsequent cooling process. First, a cultivar-specific database of more than 100 realistic CAD models of apple and pear fruit is built with a validated geometrical 3D shape model generator. To have an accurate representation of a realistic picking season, the model generator also takes into account the biological variability of the produce shape. Next, a discrete element model (DEM) randomly chooses surface meshed bodies from the database to simulate the gravitational filling process of produce in a box or bin, using actual mechanical properties of the fruit. A computational fluid dynamics (CFD) model is then developed with the final stacking arrangement of the produce to study the cooling efficiency of packages under several conditions and configurations. Here, a typical precooling operation is simulated to demonstrate the large differences between using actual 3D shapes of the fruit and an equivalent spheres approach that simplifies the problem drastically. From this study, it is concluded that using a simplified representation of the actual fruit shape may lead to a severe overestimation of the cooling behaviour.

Mass balance and isotope effects during nitrogen transport through septic tank systems with packed-bed (sand) filters.

PubMed

Hinkle, Stephen R; Böhlke, J K; Fisher, Lawrence H

2008-12-15

Septic tank systems are an important source of NO3(-) to many aquifers, yet characterization of N mass balance and isotope systematics following septic tank effluent discharge into unsaturated sediments has received limited attention. In this study, samples of septic tank effluent before and after transport through single-pass packed-bed filters (sand filters) were evaluated to elucidate mass balance and isotope effects associated with septic tank effluent discharge to unsaturated sediments. Chemical and isotopic data from five newly installed pairs and ten established pairs of septic tanks and packed-bed filters serving single homes in Oregon indicate that aqueous solute concentrations are affected by variations in recharge (precipitation, evapotranspiration), NH4+ sorption (primarily in immature systems), nitrification, and gaseous N loss via NH3 volatilization and(or) N2 or N2O release during nitrification/denitrification. Substantial NH4+ sorption capacity was also observed in laboratory columns with synthetic effluent. Septic tank effluent delta15N-NH4+ values were almost constant and averaged +4.9 per thousand+/-0.4 per thousand (1 sigma). In contrast, delta15N values of NO3(-) leaving mature packed-bed filters were variable (+0.8 to +14.4 per thousand) and averaged +7.2 per thousand+/-2.6 per thousand. Net N loss in the two networks of packed-bed filters was indicated by average 10-30% decreases in Cl(-)-normalized N concentrations and 2-3 per thousand increases in delta15N, consistent with fractionation accompanying gaseous N losses and corroborating established links between septic tank effluent and NO3(-) in a local, shallow aquifer. Values of delta18O-NO3(-) leaving mature packed-bed filters ranged from -10.2 to -2.3 per thousand (mean -6.4 per thousand+/-1.8 per thousand), and were intermediate between a 2/3 H2O-O+1/3 O2-O conceptualization and a 100% H2O-O conceptualization of delta18O-NO3(-) generation during nitrification.

Database Searching by Managers.

ERIC Educational Resources Information Center

Arnold, Stephen E.

Managers and executives need the easy and quick access to business and management information that online databases can provide, but many have difficulty articulating their search needs to an intermediary. One possible solution would be to encourage managers and their immediate support staff members to search textual databases directly as they now…

Electronic Reference Library: Silverplatter's Database Networking Solution.

ERIC Educational Resources Information Center

Millea, Megan

Silverplatter's Electronic Reference Library (ERL) provides wide area network access to its databases using TCP/IP communications and client-server architecture. ERL has two main components: The ERL clients (retrieval interface) and the ERL server (search engines). ERL clients provide patrons with seamless access to multiple databases on multiple…

The relational clinical database: a possible solution to the star wars in registry systems.

PubMed

Michels, D K; Zamieroski, M

1990-12-01

In summary, having data from other service areas available in a relational clinical database could resolve many of the problems existing in today's registry systems. Uniting sophisticated information systems into a centralized database system could definitely be a corporate asset in managing the bottom line.

Evolution of Burn Resuscitation in Operation Iraqi Freedom

DTIC Science & Technology

2006-10-01

pendulum back” in burn resuscitation to avoid “fluid creep” and the complications of over-resuscitation. We have termed the effects of over...inju- ries. In this environment, colloids may be both an excellent solution to the packing constraints imposed by the battlefield as well as effective ...or decreased urine output despite adequate resuscitation and relative euvolemia (Tables 1 and 2). An example of the effectiveness of this performance

Development of a syringe pump assisted dynamic headspace sampling technique for needle trap device.

PubMed

Eom, In-Yong; Niri, Vadoud H; Pawliszyn, Janusz

2008-07-04

This paper describes a new approach that combines needle trap devices (NTDs) with a dynamic headspace sampling technique (purge and trap) using a bidirectional syringe pump. The needle trap device is a 22-G stainless steel needle 3.5-in. long packed with divinylbenzene sorbent particles. The same sized needle, without packing, was used for purging purposes. We chose an aqueous mixture of benzene, toluene, ethylbenzene, and p-xylene (BTEX) and developed a sequential purge and trap (SPNT) method, in which sampling (trapping) and purging cycles were performed sequentially by the use of syringe pump with different distribution channels. In this technique, a certain volume (1 mL) of headspace was sequentially sampled using the needle trap; afterwards, the same volume of air was purged into the solution at a high flow rate. The proposed technique showed an effective extraction compared to the continuous purge and trap technique, with a minimal dilution effect. Method evaluation was also performed by obtaining the calibration graphs for aqueous BTEX solutions in the concentration range of 1-250 ng/mL. The developed technique was compared to the headspace solid-phase microextraction method for the analysis of aqueous BTEX samples. Detection limits as low as 1 ng/mL were obtained for BTEX by NTD-SPNT.

Molecule database framework: a framework for creating database applications with chemical structure search capability

PubMed Central

2013-01-01

Background Research in organic chemistry generates samples of novel chemicals together with their properties and other related data. The involved scientists must be able to store this data and search it by chemical structure. There are commercial solutions for common needs like chemical registration systems or electronic lab notebooks. However for specific requirements of in-house databases and processes no such solutions exist. Another issue is that commercial solutions have the risk of vendor lock-in and may require an expensive license of a proprietary relational database management system. To speed up and simplify the development for applications that require chemical structure search capabilities, I have developed Molecule Database Framework. The framework abstracts the storing and searching of chemical structures into method calls. Therefore software developers do not require extensive knowledge about chemistry and the underlying database cartridge. This decreases application development time. Results Molecule Database Framework is written in Java and I created it by integrating existing free and open-source tools and frameworks. The core functionality includes: • Support for multi-component compounds (mixtures) • Import and export of SD-files • Optional security (authorization) For chemical structure searching Molecule Database Framework leverages the capabilities of the Bingo Cartridge for PostgreSQL and provides type-safe searching, caching, transactions and optional method level security. Molecule Database Framework supports multi-component chemical compounds (mixtures). Furthermore the design of entity classes and the reasoning behind it are explained. By means of a simple web application I describe how the framework could be used. I then benchmarked this example application to create some basic performance expectations for chemical structure searches and import and export of SD-files. Conclusions By using a simple web application it was shown that Molecule Database Framework successfully abstracts chemical structure searches and SD-File import and export to simple method calls. The framework offers good search performance on a standard laptop without any database tuning. This is also due to the fact that chemical structure searches are paged and cached. Molecule Database Framework is available for download on the projects web page on bitbucket: https://bitbucket.org/kienerj/moleculedatabaseframework. PMID:24325762

Molecule database framework: a framework for creating database applications with chemical structure search capability.

PubMed

Kiener, Joos

2013-12-11

Research in organic chemistry generates samples of novel chemicals together with their properties and other related data. The involved scientists must be able to store this data and search it by chemical structure. There are commercial solutions for common needs like chemical registration systems or electronic lab notebooks. However for specific requirements of in-house databases and processes no such solutions exist. Another issue is that commercial solutions have the risk of vendor lock-in and may require an expensive license of a proprietary relational database management system. To speed up and simplify the development for applications that require chemical structure search capabilities, I have developed Molecule Database Framework. The framework abstracts the storing and searching of chemical structures into method calls. Therefore software developers do not require extensive knowledge about chemistry and the underlying database cartridge. This decreases application development time. Molecule Database Framework is written in Java and I created it by integrating existing free and open-source tools and frameworks. The core functionality includes:•Support for multi-component compounds (mixtures)•Import and export of SD-files•Optional security (authorization)For chemical structure searching Molecule Database Framework leverages the capabilities of the Bingo Cartridge for PostgreSQL and provides type-safe searching, caching, transactions and optional method level security. Molecule Database Framework supports multi-component chemical compounds (mixtures).Furthermore the design of entity classes and the reasoning behind it are explained. By means of a simple web application I describe how the framework could be used. I then benchmarked this example application to create some basic performance expectations for chemical structure searches and import and export of SD-files. By using a simple web application it was shown that Molecule Database Framework successfully abstracts chemical structure searches and SD-File import and export to simple method calls. The framework offers good search performance on a standard laptop without any database tuning. This is also due to the fact that chemical structure searches are paged and cached. Molecule Database Framework is available for download on the projects web page on bitbucket: https://bitbucket.org/kienerj/moleculedatabaseframework.

Accelerating Pathology Image Data Cross-Comparison on CPU-GPU Hybrid Systems

PubMed Central

Wang, Kaibo; Huai, Yin; Lee, Rubao; Wang, Fusheng; Zhang, Xiaodong; Saltz, Joel H.

2012-01-01

As an important application of spatial databases in pathology imaging analysis, cross-comparing the spatial boundaries of a huge amount of segmented micro-anatomic objects demands extremely data- and compute-intensive operations, requiring high throughput at an affordable cost. However, the performance of spatial database systems has not been satisfactory since their implementations of spatial operations cannot fully utilize the power of modern parallel hardware. In this paper, we provide a customized software solution that exploits GPUs and multi-core CPUs to accelerate spatial cross-comparison in a cost-effective way. Our solution consists of an efficient GPU algorithm and a pipelined system framework with task migration support. Extensive experiments with real-world data sets demonstrate the effectiveness of our solution, which improves the performance of spatial cross-comparison by over 18 times compared with a parallelized spatial database approach. PMID:23355955

Toward rational nanoparticle synthesis: predicting surface intermixing in bimetallic alloy nanocatalysts

DOE PAGES

Roling, Luke T.; Mavrikakis, Manos

2017-09-19

In this paper, we present a database of first-principles calculated activation energy barriers for two competitive processes involving bimetallic adatom-surface permutations of ten transition metals: (i) adatom “hopping” diffusion and (ii) adatom substitution into the surface. We consider the surface structure sensitivity of these events as well as coverage effects. We find that surface hopping mechanisms are facile and always preferred to substitution events on close-packed fcc(111) and hcp(0001) surfaces. However, surface atom substitution is more facile on the more open fcc(100) surfaces and is competitive with adatom surface hopping, which is more difficult than on the close-packed surfaces. Finally,more » by comparing the absolute and relative magnitudes of the energetics of hopping and substitution, our calculations can offer qualitative predictions of intermixing and other phenomena relevant to nanocrystal growth, such as the tendency to form intermixed alloys or core–shell structures during layer-by-layer nanoparticle synthesis involving a given bimetallic pair, and thereby inform the rational design and synthesis of novel bimetallic nanomaterials.« less

A new constitutive analysis of hexagonal close-packed metal in equal channel angular pressing by crystal plasticity finite element method

NASA Astrophysics Data System (ADS)

Li, Hejie; Öchsner, Andreas; Yarlagadda, Prasad K. D. V.; Xiao, Yin; Furushima, Tsuyoshi; Wei, Dongbin; Jiang, Zhengyi; Manabe, Ken-ichi

2018-01-01

Most of hexagonal close-packed (HCP) metals are lightweight metals. With the increasing application of light metal products, the production of light metal is increasingly attracting the attentions of researchers worldwide. To obtain a better understanding of the deformation mechanism of HCP metals (especially for Mg and its alloys), a new constitutive analysis was carried out based on previous research. In this study, combining the theories of strain gradient and continuum mechanics, the equal channel angular pressing process is analyzed and a HCP crystal plasticity constitutive model is developed especially for Mg and its alloys. The influence of elevated temperature on the deformation mechanism of the Mg alloy (slip and twin) is novelly introduced into a crystal plasticity constitutive model. The solution for the new developed constitutive model is established on the basis of the Lagrangian iterations and Newton Raphson simplification.

Intermixed adatom and surface-bound adsorbates in regular self-assembled monolayers of racemic 2-butanethiol on Au(111).

PubMed

Ouyang, Runhai; Yan, Jiawei; Jensen, Palle S; Ascic, Erhad; Gan, Shiyu; Tanner, David; Mao, Bingwei; Niu, Li; Zhang, Jingdong; Tang, Chunguang; Hush, Noel S; Reimers, Jeffrey R; Ulstrup, Jens

2015-04-07

In situ scanning tunneling microscopy combined with density functional theory molecular dynamics simulations reveal a complex structure for the self-assembled monolayer (SAM) of racemic 2-butanethiol on Au(111) in aqueous solution. Six adsorbate molecules occupy a (10×√3)R30° cell organized as two RSAuSR adatom-bound motifs plus two RS species bound directly to face-centered-cubic and hexagonally close-packed sites. This is the first time that these competing head-group arrangements have been observed in the same ordered SAM. Such unusual packing is favored as it facilitates SAMs with anomalously high coverage (30%), much larger than that for enantiomerically resolved 2-butanethiol or secondary-branched butanethiol (25%) and near that for linear-chain 1-butanethiol (33%). © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Biofiltration of waste gases containing a mixture of formaldehyde and methanol.

PubMed

Prado, Oscar J; Veiga, María C; Kennes, Christian

2004-08-01

Several biofilters and biotrickling filters were used for the treatment of a mixture of formaldehyde and methanol; and their efficiencies were compared. Results obtained with three different inert filter bed materials (lava rock, perlite, activated carbon) suggested that the packing material had only little influence on the performance. The best results were obtained in a biotrickling filter packed with lava rock and fed a nutrient solution that was renewed weekly. A maximum formaldehyde elimination capacity of 180 g m(-3) h(-1) was reached, while the methanol elimination capacity rose occasionally to more than 600 g m(-3) h(-1). Formaldehyde degradation was affected by the inlet methanol concentration. Several combinations of load vs empty bed residence time (EBRTs of 71.9, 46.5, 30.0, 20.7 s) were studied, reaching a formaldehyde elimination capacity of 112 g m(-3) h(-1) with about 80% removal efficiency at the lowest EBRT (20.7 s).

Controlling Photoconductivity in PBI Films by Supramolecular Assembly.

PubMed

Draper, Emily R; Archibald, Lewis J; Nolan, Michael C; Schweins, Ralf; Zwijnenburg, Martijn A; Sproules, Stephen; Adams, Dave J

2018-03-15

Perylene bisimides (PBIs) self-assemble in solution. The solubility of the PBIs is commonly changed through the choice of substituents at the imide positions. It is generally assumed this substitution does not affect the electronic properties of the PBI, and that the properties of the self-assembled aggregate are essentially that of the isolated molecule. However, substituents do affect the self-assembly, resulting in potentially different packing in the formed aggregates. Here, we show that the photoconductivity of films formed from a library of substituted PBIs varies strongly with the substituent and demonstrate that this is due to the different ways in which they pack. Our results open the possibility for tuning the optoelectronic properties of self-assembled PBIs by controlling the aggregate structure through careful choice of substituent, as demonstrated by us here optimising the photoconductivity of PBI films in this way. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

Controlling Photoconductivity in PBI Films by Supramolecular Assembly

PubMed Central

Archibald, Lewis J.; Nolan, Michael C.; Schweins, Ralf; Zwijnenburg, Martijn A.; Sproules, Stephen

2018-01-01

Abstract Perylene bisimides (PBIs) self‐assemble in solution. The solubility of the PBIs is commonly changed through the choice of substituents at the imide positions. It is generally assumed this substitution does not affect the electronic properties of the PBI, and that the properties of the self‐assembled aggregate are essentially that of the isolated molecule. However, substituents do affect the self‐assembly, resulting in potentially different packing in the formed aggregates. Here, we show that the photoconductivity of films formed from a library of substituted PBIs varies strongly with the substituent and demonstrate that this is due to the different ways in which they pack. Our results open the possibility for tuning the optoelectronic properties of self‐assembled PBIs by controlling the aggregate structure through careful choice of substituent, as demonstrated by us here optimising the photoconductivity of PBI films in this way. PMID:29405458

Structure and effective interactions in three-component hard sphere liquids.

PubMed

König, A; Ashcroft, N W

2001-04-01

Complete and simple analytical expressions for the partial structure factors of the ternary hard sphere mixture are obtained within the Percus-Yevick approximation and presented as functions of relative packing fractions and relative hard sphere diameters. These solutions follow from the Laplace transform method as applied to multicomponent systems by Lebowitz [Phys. Rev. 133, A895 (1964)]. As an important application, we examine effective interactions in hard sphere liquid mixtures using the microscopic information contained in their partial structure factors. Thus the ensuring pair potential for an effective one-component system is obtained from the correlation functions by using an approximate inversion, and examples of effective potentials for three-component hard sphere mixtures are given. These mixtures may be of particular interest for the study of the packing aspects of melts that form glasses or quasicrystals, since noncrystalline solids often emerge from melts with at least three atomic constituents.

Partial molar volume of n-alcohols at infinite dilution in water calculated by means of scaled particle theory.

PubMed

Graziano, Giuseppe

2006-04-07

The partial molar volume of n-alcohols at infinite dilution in water is smaller than the molar volume in the neat liquid phase. It is shown that the formula for the partial molar volume at infinite dilution obtained from the scaled particle theory equation of state for binary hard sphere mixtures is able to reproduce in a satisfactory manner the experimental data over a large temperature range. This finding implies that the packing effects play the fundamental role in determining the partial molar volume at infinite dilution in water also for solutes, such as n-alcohols, forming H bonds with water molecules. Since the packing effects in water are largely related to the small size of its molecules, the latter feature is the ultimate cause of the decrease in partial molar volume associated with the hydrophobic effect.

Glycolipid class profiling by packed-column subcritical fluid chromatography.

PubMed

Deschamps, Frantz S; Lesellier, Eric; Bleton, Jean; Baillet, Arlette; Tchapla, Alain; Chaminade, Pierre

2004-06-18

The potential of packed-column subcritical fluid chromatography (SubFC) for the separation of lipid classes has been assessed in this study. Three polar stationary phases were checked: silica, diol, and poly(vinyl alcohol). Carbon dioxide (CO2) with methanol as modifier was used as mobile phase and detection performed by evaporative light scattering detection. The influence of methanol content, temperature, and pressure on the chromatographic behavior of sphingolipids and glycolipids were investigated. A complete separation of lipid classes from a crude wheat lipid extract was achieved using a modifier gradient from 10 to 40% methanol in carbon dioxide. Solute selectivity was improved using coupled silica and diol columns in series. Because the variation of eluotropic strength depending on the fluid density changes, a normalized separation factor product (NSP) was used to select the nature, the number and the order of the columns to reach the optimum glycolipid separation.

Transport of viruses through saturated and unsaturated columns packed with sand

USGS Publications Warehouse

Anders, R.; Chrysikopoulos, C.V.

2009-01-01

Laboratory-scale virus transport experiments were conducted in columns packed with sand under saturated and unsaturated conditions. The viruses employed were the male-specific RNA coliphage, MS2, and the Salmonella typhimurium phage, PRD1. The mathematical model developed by Sim and Chrysikopoulos (Water Resour Res 36:173-179, 2000) that accounts for processes responsible for removal of viruses during vertical transport in one-dimensional, unsaturated porous media was used to fit the data collected from the laboratory experiments. The liquid to liquid-solid and liquid to air-liquid interface mass transfer rate coefficients were shown to increase for both bacteriophage as saturation levels were reduced. The experimental results indicate that even for unfavorable attachment conditions within a sand column (e.g., phosphate-buffered saline solution; pH = 7.5; ionic strength = 2 mM), saturation levels can affect virus transport through porous media. ?? Springer Science+Business Media B.V. 2008.

Charged triblock copolymer self-assembly into charged micelles

NASA Astrophysics Data System (ADS)

Chen, Yingchao; Zhang, Ke; Zhu, Jiahua; Wooley, Karen; Pochan, Darrin; Department of Material Science; Engineering University of Delaware Team; Department of Chemistry Texas A&M University Collaboration

2011-03-01

Micelles were formed through the self-assembly of amphiphlic block copolymer poly(acrylic acid)-block-poly(methyl acrylate)-block-polystyrene (PAA-PMA-PS). ~Importantly, the polymer is complexed with diamine molecules in pure THF solution prior to water titration solvent processing-a critical aspect in the control of final micelle geometry. The addition of diamine triggers acid-base complexation ~between the carboxylic acid PAA side chains and amines. ~Remarkably uniform spheres were found to form close-packed patterns when forced into dried films and thin, solvated films when an excess of amine was used in the polymer assembly process. Surface properties and structural features of these hexagonal-packed spherical micelles with charged corona have been explored by various characterization methods including Transmission Electron Microscopy (TEM), cryogenic TEM, z-potential analysis and Dynamic Light Scattering. The forming mechanism for this pattern and morphology changes against external stimulate such as salt will be discussed.

Topologically Close-packed Phase Formation in High Entropy Alloys: A Review of Calphad and Experimental Results

NASA Astrophysics Data System (ADS)

Guruvidyathri, K.; Hari Kumar, K. C.; Yeh, J. W.; Murty, B. S.

2017-11-01

One of the major challenges in high entropy alloy (HEA) research is to obtain single-phase solid solutions by proper selection of components and processing techniques. Often one encounters situations where topologically close-packed (TCP) phases are present in the HEA microstructures. TCP phases are a class of intermetallic phases that are in general considered undesirable. The ability to predict these phases in HEAs using the Calphad (CALculation of PHAse Diagrams) method has been shown to accelerate the identification of promising compositions. In this review, an analysis of the reported Calphad studies and corresponding microstructural information on HEAs is done to evaluate the success of the Calphad method for TCP phases. A total of 52 alloys with 123 post-heat treatment microstructures reported so far have been compared. Challenges and issues in experiments and calculations are brought out with a possible way forward.

Cotton-textile-enabled flexible self-sustaining power packs via roll-to-roll fabrication

PubMed Central

Gao, Zan; Bumgardner, Clifton; Song, Ningning; Zhang, Yunya; Li, Jingjing; Li, Xiaodong

2016-01-01

With rising energy concerns, efficient energy conversion and storage devices are required to provide a sustainable, green energy supply. Solar cells hold promise as energy conversion devices due to their utilization of readily accessible solar energy; however, the output of solar cells can be non-continuous and unstable. Therefore, it is necessary to combine solar cells with compatible energy storage devices to realize a stable power supply. To this end, supercapacitors, highly efficient energy storage devices, can be integrated with solar cells to mitigate the power fluctuations. Here, we report on the development of a solar cell-supercapacitor hybrid device as a solution to this energy requirement. A high-performance, cotton-textile-enabled asymmetric supercapacitor is integrated with a flexible solar cell via a scalable roll-to-roll manufacturing approach to fabricate a self-sustaining power pack, demonstrating its potential to continuously power future electronic devices. PMID:27189776

Hepatic "BOLSA" a novel method of perihepatic wrapping for hepatic hemorrhage "BOLSA".

PubMed

Ng, Nathaniel; McLean, Susan F; Ghaleb, Melhem R; Tyroch, Alan H

2015-01-01

Severe traumatic liver hemorrhage quickly leads to exsanguination. Perihepatic packing is frequently used in damage control surgery. This method can be unsuccessful and accompanied by complications. Vicryl mesh wraps have been described in the treatment of liver hemorrhage. In this report, we describe an enhanced technique of hepatic wrapping in a case of hepatic bleeding after liver biopsy in a coagulopathic patient. The technique is called the hepatic "BOLSA" (Bag on Liver Supporting Anti-Hemorrhage). A 59 year old male presented in the recovery room after liver biopsy of a mass, followed by angio-embolization of the hepatic mass 9h earlier. The patient was acidotic, coagulopathic, and demonstrated intra-abdominal hypertension. Computed tomography demonstrated perihepatic fluid. The patient continued hemorrhaging despite attempts to correct coagulopathy by transfusion. Multiple operating room visits were required where a combination of packing and hemostatic agents could not stop hepatic venous parenchymal hemorrhage. Mesh wrap consisting of Vicryl and PDS suture were used to create the "BOLSA" to achieve hemostasis. Perihepatic packing compromises pulmonary excursion, elevates intra-abdominal pressure, is a risk factor for sepsis, and requires an additional trip to the operating room for removal. The use of Vicryl mesh wrap obviates these complications. Previously described mesh wraps require anchoring. The self-supporting structure of the BOLSA simplifies construction and application. The BOLSA is an effective tool in treatment of severe liver hemorrhage in coagulopathic patients. It is the modern simplification of hepatic wrapping and the solution to the side effects of perihepatic packing. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Accumulation of Colloidal Particles in Flow Junctions Induced by Fluid Flow and Diffusiophoresis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shin, Sangwoo; Ault, Jesse T.; Warren, Patrick B.

The flow of solutions containing solutes and colloidal particles in porous media is widely found in systems including underground aquifers, hydraulic fractures, estuarine or coastal habitats, water filtration systems, etc. In such systems, solute gradients occur when there is a local change in the solute concentration. While the effects of solute gradients have been found to be important for many applications, we observe an unexpected colloidal behavior in porous media driven by the combination of solute gradients and the fluid flow. When two flows with different solute concentrations are in contact near a junction, a sharp solute gradient is formedmore » at the interface, which may allow strong diffusiophoresis of the particles directed against the flow. Consequently, the particles accumulate near the pore entrance, rapidly approaching the packing limit. These colloidal dynamics have important implications for the clogging of a porous medium, where particles that are orders of magnitude smaller than the pore width can accumulate and block the pores within a short period of time. As a result, we also show that this effect can be exploited as a useful tool for preconcentrating biomolecules for rapid bioassays.« less

Accumulation of Colloidal Particles in Flow Junctions Induced by Fluid Flow and Diffusiophoresis

DOE PAGES

Shin, Sangwoo; Ault, Jesse T.; Warren, Patrick B.; ...

2017-11-16

The flow of solutions containing solutes and colloidal particles in porous media is widely found in systems including underground aquifers, hydraulic fractures, estuarine or coastal habitats, water filtration systems, etc. In such systems, solute gradients occur when there is a local change in the solute concentration. While the effects of solute gradients have been found to be important for many applications, we observe an unexpected colloidal behavior in porous media driven by the combination of solute gradients and the fluid flow. When two flows with different solute concentrations are in contact near a junction, a sharp solute gradient is formedmore » at the interface, which may allow strong diffusiophoresis of the particles directed against the flow. Consequently, the particles accumulate near the pore entrance, rapidly approaching the packing limit. These colloidal dynamics have important implications for the clogging of a porous medium, where particles that are orders of magnitude smaller than the pore width can accumulate and block the pores within a short period of time. As a result, we also show that this effect can be exploited as a useful tool for preconcentrating biomolecules for rapid bioassays.« less

Drying in porous media with gravity-stabilized fronts: experimental results.

PubMed

Yiotis, A G; Salin, D; Tajer, E S; Yortsos, Y C

2012-08-01

In a recent paper [Yiotis et al., Phys. Rev. E 85, 046308 (2012)] we developed a model for the drying of porous media in the presence of gravity. It incorporated effects of corner film flow, internal and external mass transfer, and the effect of gravity. Analytical results were derived when gravity opposes drying and hence leads to a stable percolation drying front. In this paper, we test the theory using laboratory experiments. A series of isothermal drying experiments in glass bead packings saturated with volatile hydrocarbons is conducted. The transparent glass cells containing the packing allow for the visual monitoring of the phase distribution patterns below the surface, including the formation of liquid films, as the gaseous phase invades the pore space, and for the control of the thickness of the diffusive mass boundary layer over the packing. The experimental results agree very well with theory, provided that the latter is generalized to account for the effects of corner roundness in the film region (which was neglected in the theoretical part). We demonstrate the existence of an early constant rate period (CRP), which lasts as long as the films saturate the surface of the packing, and of a subsequent falling rate period (FRP), which begins practically after the detachment of the film tips from the external surface. During the CRP, the process is controlled by diffusion within the stagnant gaseous phase in the upper part of the cells, yielding a Stefan tube problem solution. During the FRP, the process is controlled by diffusion within the packing, with a drying rate inversely proportional to the observed position of the film tips in the cell. Theoretical and experimental results compare favorably for a specific value of the roundness of the films, which is found to be constant and equal to 0.2 for various conditions, and verify the theoretical dependence on the capillary Ca(f), Bond Bo, and Sherwood Sh numbers.

Molecular structures of the inclusion complexes beta-cyclodextrin-1,2-bis(4-aminophenyl)ethane and beta-cyclodextrin-4,4'-diaminobiphenyl; packing of dimeric beta-cyclodextrin inclusion complexes.

PubMed

Giastas, Petros; Yannakopoulou, Konstantina; Mavridis, Irene M

2003-04-01

The present investigation is part of an ongoing study on the influence of the long end-functonalized guest molecules DBA and BNZ in the crystal packing of beta-cyclodextrin (betaCD) dimeric complexes. The title compounds are 2:2 host:guest complexes showing limited host-guest hydrogen bonding at the primary faces of the betaCD dimers. Within the betaCD cavity the guests exhibit mutual pi...pi interactions and between betaCD dimers perpendicular NH...pi interactions. The DBA guest molecule exhibits one extended and two bent conformations in the complex. The BNZ guest molecule is not planar inside betaCD, in contrast to the structure of BNZ itself, which indicates that the cavity isolates the molecules and forbids the pi...pi stacking of the aromatic rings. NMR spectroscopy studies show that in aqueous solution both DBA and BNZ form strong complexes that have 1:1 stoichiometry and structures similar to the solid state ones. The relative packing of the dimers is the same in both complexes. The axes of two adjacent dimers form an angle close to 20 degrees and have a lateral displacement approximately 2.45 A, both of which characterize the screw-channel mode of packing. Although the betaCD/BNZ complex indeed crystallizes in a space group characterizing the latter mode, the betaCD/DBA complex crystallizes in a space group with novel dimensions not resembling any of the packing modes reported so far. The new lattice is attributed to the three conformations exhibited by the guest in the crystals. However, this lattice can be transformed into another, which is isostructural to that of the betaCD/BNZ inclusion complex, if the conformation of the guest is not taken into account.

A simple versatile solution for collecting multidimensional clinical data based on the CakePHP web application framework.

PubMed

Biermann, Martin

2014-04-01

Clinical trials aiming for regulatory approval of a therapeutic agent must be conducted according to Good Clinical Practice (GCP). Clinical Data Management Systems (CDMS) are specialized software solutions geared toward GCP-trials. They are however less suited for data management in small non-GCP research projects. For use in researcher-initiated non-GCP studies, we developed a client-server database application based on the public domain CakePHP framework. The underlying MySQL database uses a simple data model based on only five data tables. The graphical user interface can be run in any web browser inside the hospital network. Data are validated upon entry. Data contained in external database systems can be imported interactively. Data are automatically anonymized on import, and the key lists identifying the subjects being logged to a restricted part of the database. Data analysis is performed by separate statistics and analysis software connecting to the database via a generic Open Database Connectivity (ODBC) interface. Since its first pilot implementation in 2011, the solution has been applied to seven different clinical research projects covering different clinical problems in different organ systems such as cancer of the thyroid and the prostate glands. This paper shows how the adoption of a generic web application framework is a feasible, flexible, low-cost, and user-friendly way of managing multidimensional research data in researcher-initiated non-GCP clinical projects. Copyright © 2014 The Authors. Published by Elsevier Ireland Ltd.. All rights reserved.

Prolonged storage of packed red blood cells for blood transfusion.

PubMed

Martí-Carvajal, Arturo J; Simancas-Racines, Daniel; Peña-González, Barbra S

2015-07-14

A blood transfusion is an acute intervention, used to address life- and health-threatening conditions on a short-term basis. Packed red blood cells are most often used for blood transfusion. Sometimes blood is transfused after prolonged storage but there is continuing debate as to whether transfusion of 'older' blood is as beneficial as transfusion of 'fresher' blood. To assess the clinical benefits and harms of prolonged storage of packed red blood cells, in comparison with fresh, on recipients of blood transfusion. We ran the search on 1st May 2014. We searched the Cochrane Injuries Group Specialized Register, Cochrane Central Register of Controlled Trials (CENTRAL, The Cochrane Library), MEDLINE (OvidSP), Embase (OvidSP), CINAHL (EBSCO Host) and two other databases. We also searched clinical trials registers and screened reference lists of the retrieved publications and reviews. We updated this search in June 2015 but these results have not yet been incorporated. Randomised clinical trials including participants assessed as requiring red blood cell transfusion were eligible for inclusion. Prolonged storage was defined as red blood cells stored for ≥ 21 days in a blood bank. We did not apply limits regarding the duration of follow-up, or country where the study took place. We excluded trials where patients received a combination of short- and long-stored blood products, and also trials without a clear definition of prolonged storage. We independently performed study selection, risk of bias assessment and data extraction by at least two review authors. The major outcomes were death from any cause, transfusion-related acute lung injury, and adverse events. We estimated relative risk for dichotomous outcomes. We measured statistical heterogeneity using I(2). We used a random-effects model to synthesise the findings. We identified three randomised clinical trials, involving a total of 120 participants, comparing packed red blood cells with ≥ 21 days storage ('prolonged' or 'older') versus packed red blood cells with < 21 days storage ('fresh'). We pooled data to assess the effect of prolonged storage on death from any cause. The confidence in the results from these trials was very low, due to the bias in their design and their limited sample sizes.The estimated effect of packed red blood cells with ≥ 21 days storage versus packed red blood cells with < 21 days storage for the outcome death from any cause was imprecise (5/45 [11.11%] versus 2/46 [4.34%]; RR 2.36; 95% CI 0.65 to 8.52; I(2): 0%, P = 0.26, very low quality of evidence). Trial sequential analysis, with only two trials, shows that we do not yet have convincing evidence that older packed red blood cells induce a 20% relative risk reduction of death from any cause compared with fresher packed red blood cells. No trial included other outcomes of interest specified in this review, namely transfusion-related acute lung injury, postoperative infections, and adverse events. The safety profile is unknown. Recognising the limitations of the review, relating to the size and nature of the included trials, this Cochrane Review provides no evidence to support or reject the use of packed red blood cells for blood transfusion which have been stored for ≥ 21 days ('prolonged' or 'older') compared with those stored for < 21 days ('fresh'). These results are based on three small single centre trials with high risks of bias. There is insufficient evidence to determine the effects of fresh or older packed red blood cells for blood transfusion. Therefore, we urge readers to interpret the trial results with caution. The results from four large ongoing trials will help to inform future updates of this review.

Database Search Engines: Paradigms, Challenges and Solutions.

PubMed

Verheggen, Kenneth; Martens, Lennart; Berven, Frode S; Barsnes, Harald; Vaudel, Marc

2016-01-01

The first step in identifying proteins from mass spectrometry based shotgun proteomics data is to infer peptides from tandem mass spectra, a task generally achieved using database search engines. In this chapter, the basic principles of database search engines are introduced with a focus on open source software, and the use of database search engines is demonstrated using the freely available SearchGUI interface. This chapter also discusses how to tackle general issues related to sequence database searching and shows how to minimize their impact.

The interaction of insulin, glucose, and insulin-glucose mixtures with a phospholipid monolayer.

PubMed

Shigenobu, Hayato; McNamee, Cathy E

2012-12-15

We determined how glucose or insulin interacts with a phospholipid monolayer at the air/water interface and explained these mechanisms from a physico-chemical point of view. The 1,2-dipalmitoyl-2-sn-glycero-3-phosphatidylcholine (DPPC) monolayer at an air/water interface acted as a model membrane, which allowed the effect of the molecular packing density in the monolayer on the interactions to be determined. The interaction of glucose, insulin, and a mixture of glucose and insulin to the DPPC monolayer were investigated via surface pressure-area per molecule Langmuir isotherms and fluorescence microscopy. Glucose adsorbed to the underside of the DPPC monolayer, while insulin was able to penetrate through the monolayer when the phospholipid molecules were not densely packed. The presence of a mixture of insulin and glucose affected the molecular packing in the DPPC monolayer differently than the pure insulin or glucose solutions, and the glucose-insulin mixture was seen to be able to penetrate through the monolayer. These results indicated that glucose and insulin interact with one another, giving a material that may then transported through a pore in the monolayer or through the spaces between the molecules of the monolayer. Copyright © 2012 Elsevier Inc. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eicher, Barbara; Marquardt, Drew; Heberle, Frederick A.

We measured the effect of intrinsic lipid curvature, J 0, on structural properties of asymmetric vesicles made of palmitoyl-oleoyl-phosphatidylethanolamine (POPE; J 0 < 0) and palmitoyl-oleoyl-phosphatidylcholine (POPC; J 0 ~ 0). Electron microscopy and dynamic light scattering were used to determine vesicle size and morphology, and x-ray and neutron scattering, combined with calorimetric experiments and solution NMR, yielded insights into leaflet-specific lipid packing and melting processes. Below the lipid melting temperature we observed strong interleaflet coupling in asymmetric vesicles with POPE inner bilayer leaflets and outer leaflets enriched in POPC. This lipid arrangement manifested itself by lipids melting cooperatively inmore » both leaflets, and a rearrangement of lipid packing in both monolayers. On the other hand, no coupling was observed in vesicles with POPC inner bilayer leaflets and outer leaflets enriched in POPE. In this case, the leaflets melted independently and did not affect each other’s acyl chain packing. Furthermore, we found no evidence for transbilayer structural coupling above the melting temperature of either sample preparation. Our results are consistent with the energetically preferred location of POPE residing in the inner leaflet, where it also resides in natural membranes, most likely causing the coupling of both leaflets. The loss of this coupling in the fluid bilayers is most likely the result of entropic contributions.« less

A systems approach to hemostasis: 3. Thrombus consolidation regulates intrathrombus solute transport and local thrombin activity

PubMed Central

Welsh, John D.; Tomaiuolo, Maurizio; Wu, Jie; Colace, Thomas V.; Diamond, Scott L.

2014-01-01

Hemostatic thrombi formed after a penetrating injury have a distinctive structure in which a core of highly activated, closely packed platelets is covered by a shell of less-activated, loosely packed platelets. We have shown that differences in intrathrombus molecular transport emerge in parallel with regional differences in platelet packing density and predicted that these differences affect thrombus growth and stability. Here we test that prediction in a mouse vascular injury model. The studies use a novel method for measuring thrombus contraction in vivo and a previously characterized mouse line with a defect in integrin αIIbβ3 outside-in signaling that affects clot retraction ex vivo. The results show that the mutant mice have a defect in thrombus consolidation following vascular injury, resulting in an increase in intrathrombus transport rates and, as predicted by computational modeling, a decrease in thrombin activity and platelet activation in the thrombus core. Collectively, these data (1) demonstrate that in addition to the activation state of individual platelets, the physical properties of the accumulated mass of adherent platelets is critical in determining intrathrombus agonist distribution and platelet activation and (2) define a novel role for integrin signaling in the regulation of intrathrombus transport rates and localization of thrombin activity. PMID:24951426

Effect of absorbable gelatin sponge in the middle ear: in vitro and in vivo animal model.

PubMed

Goncalves, Stefania; Chiossone-Kerdel, Juan Armando; Bianco, Andrea S; Ercolino, Jose M; Hernandez-Rojas, Jorge

2015-01-01

GelitaSpon gelatin sponge (GS) showed faster reabsorption than gelfoam (GF) in vitro, and GS-packed middle ears resulted in a faster hearing recovery and less inflammation than the ears packed with GF soaked in saline. Soaking GF sponges with boric acid (BA) appeared to offset the inflammatory response of saline-soaked GF, making this inflammatory response comparable to that of GS-packed ears. To describe the reabsorption and inflammatory effects of absorbable gelatin sponge in the middle ear. For in vitro evaluation, GF and GS were used as disks immersed in saline solution or 3% BA and placed in gel. Images were captured with a microscope and processed using image processing Toolbox. For in vivo tests, 16 female albino Sprague Dawley rats were divided into four groups: bulla opening; GF + 0.9% saline; GF + BA; and GS + 0.9% saline. An anterior approach to the right bulla was used for surgery. Preoperative and postoperative auditory brainstem response thresholds were measured. In vitro, there was marked degradation of GF by day 14, while GS showed complete degradation by the third day. In vivo, hearing recovery occurred by day 21. GF produced a more severe inflammatory response, which could be reduced by treating the GF with BA.

Periodic homogenization and consistent estimates of transport parameters through sphere and polyhedron packings in the whole porosity range.

PubMed

Boutin, Claude; Geindreau, Christian

2010-09-01

This paper presents a study of transport parameters (diffusion, dynamic permeability, thermal permeability, trapping constant) of porous media by combining the homogenization of periodic media (HPM) and the self-consistent scheme (SCM) based on a bicomposite spherical pattern. The link between the HPM and SCM approaches is first established by using a systematic argument independent of the problem under consideration. It is shown that the periodicity condition can be replaced by zero flux and energy through the whole surface of the representative elementary volume. Consequently the SCM solution can be considered as a geometrical approximation of the local problem derived through HPM for materials such that the morphology of the period is "close" to the SCM pattern. These results are then applied to derive the estimates of the effective diffusion, the dynamic permeability, the thermal permeability and the trapping constant of porous media. These SCM estimates are compared with numerical HPM results obtained on periodic arrays of spheres and polyhedrons. It is shown that SCM estimates provide good analytical approximations of the effective parameters for periodic packings of spheres at porosities larger than 0.6, while the agreement is excellent for periodic packings of polyhedrons in the whole range of porosity.

Phenols removal using ozonation-adsorption with granular activated carbon (GAC) in rotating packed bed reactor

NASA Astrophysics Data System (ADS)

Karamah, E. F.; Leonita, S.; Bismo, S.

2018-01-01

Synthetic wastewater containing phenols was treated using combination method of ozonation-adsorption with GAC (Granular Activated Carbon) in a packed bed rotating reactor. Ozone reacts quickly with phenol and activated carbon increases the oxidation process by producing hydroxyl radicals. Performance parameters evaluated are phenol removal percentage, the quantity of hydroxyl radical formed, changes in pH and ozone utilization, dissolved ozone concentration and ozone concentration in off gas. The performance of the combination method was compared with single ozonation and single adsorption. The influence of GAC dose and initial pH of phenols were evaluated in ozonation-adsorption method. The results show that ozonation-adsorption method generates more OH radicals than a single ozonation. Quantity of OH radical formation increases with increasing pH and quantity of the GAC. The combination method prove better performance in removing phenols. At the same operation condition, ozonation-adsorption method is capable of removing of 78.62% phenols as compared with single ozonation (53.15%) and single adsorption (36.67%). The increasing percentage of phenol removal in ozonation-adsorption method is proportional to the addition of GAC dose, solution pH, and packed bed rotator speed. Maximum percentage of phenol removal is obtained under alkaline conditions (pH 10) and 125 g of GAC

[The Effectiveness of Cooling Packaging Care in Relieving Chemotherapy-Induced Skin Toxicity Reactions in Cancer Patients Receiving Chemotherapy: A Systematic Review].

PubMed

Hsu, Ya-Hui; Hung, Hsing-Wei; Chen, Shu-Ching

2017-08-01

Anti-cancer chemotherapy may cause skin-toxicity reactions. Different types of cooling packages affect chemotherapy-induced skin toxicity reactions differently. To evaluate the effects of cooling packing care on chemotherapy-induced skin toxicity reactions in cancer patients receiving chemotherapy. A systematic review approach was used. Searches were conducted in databases including Cochrane Library, Embase, MEDLINE, PubMed and Airiti Library using the keywords "chemotherapy cutaneous toxicity", "chemotherapy skin reaction", "chemotherapy skin toxicity", "frozen glove", "frozen sock", "cooling packaging care", "ice gloves", "ice socks", "usual care", "severity", "comfort", "satisfaction", "severity", and "comfort". The search focused on articles published before December 2016. Based on the inclusion and exclusion criteria, 5 articles involving relevant randomized controlled trials were extracted for review. Elasto-Gel ice gloves or ice socks that were chilled to -25°C- -30°C and used for 15 mins during initial chemotherapy, for one hour during chemotherapy infusion, and for 15 mins after chemotherapy were shown to improve the frequency and severity of chemotherapy-induced skin toxicity reactions. Several studies were limited by small sample sizes and different types of cooling packing programs, temperature, timing, and frequency. Thus, further research is recommended to verify the effects of cooling packing care. Cancer patients who were treated with docetaxel or PLD and who used ice gloves or ice socks that were chilled to -25°C- -30°C for 15 mins during initial chemotherapy, for one hour during chemotherapy infusion, and for 15 mins after chemotherapy improved significantly in terms of the frequency and severity of their chemotherapy-induced skin toxicity reactions. Local cooling packing care is a non-pharmacotherapy approach that is low cost and free of side effects. This review is intended to provide a reference for clinical care.

Repetitive Bibliographical Information in Relational Databases.

ERIC Educational Resources Information Center

Brooks, Terrence A.

1988-01-01

Proposes a solution to the problem of loading repetitive bibliographic information in a microcomputer-based relational database management system. The alternative design described is based on a representational redundancy design and normalization theory. (12 references) (Author/CLB)

Method to manufacture bit patterned magnetic recording media

DOEpatents

Raeymaekers, Bart; Sinha, Dipen N

2014-05-13

A method to increase the storage density on magnetic recording media by physically separating the individual bits from each other with a non-magnetic medium (so-called bit patterned media). This allows the bits to be closely packed together without creating magnetic "cross-talk" between adjacent bits. In one embodiment, ferromagnetic particles are submerged in a resin solution, contained in a reservoir. The bottom of the reservoir is made of piezoelectric material.

Menu-Driven Solver Of Linear-Programming Problems

NASA Technical Reports Server (NTRS)

Viterna, L. A.; Ferencz, D.

1992-01-01

Program assists inexperienced user in formulating linear-programming problems. A Linear Program Solver (ALPS) computer program is full-featured LP analysis program. Solves plain linear-programming problems as well as more-complicated mixed-integer and pure-integer programs. Also contains efficient technique for solution of purely binary linear-programming problems. Written entirely in IBM's APL2/PC software, Version 1.01. Packed program contains licensed material, property of IBM (copyright 1988, all rights reserved).

Evaluating the effects of post dip-treatment laser marking on resistance to feeding by subterranean termites

Treesearch

Rachel A. Arango; Bessie Woodward; Stan Lebow

2016-01-01

Dip-treatment of wood packing materials is often used instead of pressure treatment mainly because of issues relating to simplicity and cost. Packaging boxes fabricated for the United States Army are required to be dip-treated for at least one minute in an approved preservative solution prior to use. These boxes are expected to have a service life of up to 20 years in...

Hierarchical Structure in Polymeric Solids and Its Influence on Properties

DTIC Science & Technology

1989-05-01

consequences for the systematic design of phase behaviour. Also it is one of the several illustrations that the ’rigid’ group in itself need not...identified the factors controlling mesogen (or in general, rigid group ) packing in segmented LCP forming polymers and its influence on layer formation at...molecules in solution and controlled preparation of model systems" in Rigid Rod Polymers, Materials Research Publication, Ed. W. Adams, in the press

Structure Formation in Solutions of Rigid Polymers Undergoing a Phase Transition

DTIC Science & Technology

1987-04-01

cyclohexene dioxide (ERL-4206) - 10 g. nonenyl succinic anhydride (NSA) - 26 g. dimethyl amino ethanol ( DMAE ) - 0.4 g. After infiltration, short segments...existence of a significant number of defects within the individual microfibril. The presence of defects in the lateral packing of PBT chains is also suggested...of the D- and L- enantiomers yields a nematic phase. The ordered phases exhi- bit complex textures due to defects (disclinations) which depend on

Solutions in radiology services management: a literature review.

PubMed

Pereira, Aline Garcia; Vergara, Lizandra Garcia Lupi; Merino, Eugenio Andrés Díaz; Wagner, Adriano

2015-01-01

The present study was aimed at reviewing the literature to identify solutions for problems observed in radiology services. Basic, qualitative, exploratory literature review at Scopus and SciELO databases, utilizing the Mendeley and Illustrator CC Adobe softwares. In the databases, 565 papers - 120 out of them, pdf free - were identified. Problems observed in the radiology sector are related to procedures scheduling, humanization, lack of training, poor knowledge and use of management techniques, and interaction with users. The design management provides the services with interesting solutions such as Benchmarking, CRM, Lean Approach, ServiceBlueprinting, continued education, among others. Literature review is an important tool to identify problems and respective solutions. However, considering the small number of studies approaching management of radiology services, this is a great field of research for the development of deeper studies.

Design and implement of pack filter module base on embedded firewall

NASA Astrophysics Data System (ADS)

Tian, Libo; Wang, Chen; Yang, Shunbo

2011-10-01

In the traditional security solution conditions, software firewall cannot intercept and respond the invasion before being attacked. And because of the high cost, the hardware firewall does not apply to the security strategy of the end nodes, so we have designed a kind of solution of embedded firewall with hardware and software. With ARM embedding Linux operating system, we have designed packet filter module and intrusion detection module to implement the basic function of firewall. Experiments and results show that that firewall has the advantages of low cost, high processing speed, high safety and the application of the computer terminals. This paper focuses on packet filtering module design and implementation.

The structure and dipole moment of globular proteins in solution and crystalline states: use of NMR and X-ray databases for the numerical calculation of dipole moment.

PubMed

Takashima, S

2001-04-05

The large dipole moment of globular proteins has been well known because of the detailed studies using dielectric relaxation and electro-optical methods. The search for the origin of these dipolemoments, however, must be based on the detailed knowledge on protein structure with atomic resolutions. At present, we have two sources of information on the structure of protein molecules: (1) x-ray databases obtained in crystalline state; (2) NMR databases obtained in solution state. While x-ray databases consist of only one model, NMR databases, because of the fluctuation of the protein folding in solution, consist of a number of models, thus enabling the computation of dipole moment repeated for all these models. The aim of this work, using these databases, is the detailed investigation on the interdependence between the structure and dipole moment of protein molecules. The dipole moment of protein molecules has roughly two components: one dipole moment is due to surface charges and the other, core dipole moment, is due to polar groups such as N--H and C==O bonds. The computation of surface charge dipole moment consists of two steps: (A) calculation of the pK shifts of charged groups for electrostatic interactions and (B) calculation of the dipole moment using the pK corrected for electrostatic shifts. The dipole moments of several proteins were computed using both NMR and x-ray databases. The dipole moments of these two sets of calculations are, with a few exceptions, in good agreement with one another and also with measured dipole moments.

Naval Ship Database: Database Design, Implementation, and Schema

DTIC Science & Technology

2013-09-01

incoming data. The solution allows database users to store and analyze data collected by navy ships in the Royal Canadian Navy ( RCN ). The data...understanding RCN jargon and common practices on a typical RCN vessel. This experience led to the development of several error detection methods to...data to be stored in the database. Mr. Massel has also collected data pertaining to day to day activities on RCN vessels that has been imported into

Effects of Solid Solution Strengthening Elements Mo, Re, Ru, and W on Transition Temperatures in Nickel-Based Superalloys with High γ'-Volume Fraction: Comparison of Experiment and CALPHAD Calculations

NASA Astrophysics Data System (ADS)

Ritter, Nils C.; Sowa, Roman; Schauer, Jan C.; Gruber, Daniel; Goehler, Thomas; Rettig, Ralf; Povoden-Karadeniz, Erwin; Koerner, Carolin; Singer, Robert F.

2018-06-01

We prepared 41 different superalloy compositions by an arc melting, casting, and heat treatment process. Alloy solid solution strengthening elements were added in graded amounts, and we measured the solidus, liquidus, and γ'-solvus temperatures of the samples by DSC. The γ'-phase fraction increased as the W, Mo, and Re contents were increased, and W showed the most pronounced effect. Ru decreased the γ'-phase fraction. Melting temperatures (i.e., solidus and liquidus) were increased by addition of Re, W, and Ru (the effect increased in that order). Addition of Mo decreased the melting temperature. W was effective as a strengthening element because it acted as a solid solution strengthener and increased the fraction of fine γ'-precipitates, thus improving precipitation strengthening. Experimentally determined values were compared with calculated values based on the CALPHAD software tools Thermo-Calc (databases: TTNI8 and TCNI6) and MatCalc (database ME-NI). The ME-NI database, which was specially adapted to the present investigation, showed good agreement. TTNI8 also showed good results. The TCNI6 database is suitable for computational design of complex nickel-based superalloys. However, a large deviation remained between the experiment results and calculations based on this database. It also erroneously predicted γ'-phase separations and failed to describe the Ru-effect on transition temperatures.

A Look Under the Hood: How the JPL Tropical Cyclone Information System Uses Database Technologies to Present Big Data to Users

NASA Astrophysics Data System (ADS)

Knosp, B.; Gangl, M.; Hristova-Veleva, S. M.; Kim, R. M.; Li, P.; Turk, J.; Vu, Q. A.

2015-12-01

The JPL Tropical Cyclone Information System (TCIS) brings together satellite, aircraft, and model forecast data from several NASA, NOAA, and other data centers to assist researchers in comparing and analyzing data and model forecast related to tropical cyclones. The TCIS has been running a near-real time (NRT) data portal during North Atlantic hurricane season that typically runs from June through October each year, since 2010. Data collected by the TCIS varies by type, format, contents, and frequency and is served to the user in two ways: (1) as image overlays on a virtual globe and (2) as derived output from a suite of analysis tools. In order to support these two functions, the data must be collected and then made searchable by criteria such as date, mission, product, pressure level, and geospatial region. Creating a database architecture that is flexible enough to manage, intelligently interrogate, and ultimately present this disparate data to the user in a meaningful way has been the primary challenge. The database solution for the TCIS has been to use a hybrid MySQL + Solr implementation. After testing other relational database and NoSQL solutions, such as PostgreSQL and MongoDB respectively, this solution has given the TCIS the best offerings in terms of query speed and result reliability. This database solution also supports the challenging (and memory overwhelming) geospatial queries that are necessary to support analysis tools requested by users. Though hardly new technologies on their own, our implementation of MySQL + Solr had to be customized and tuned to be able to accurately store, index, and search the TCIS data holdings. In this presentation, we will discuss how we arrived on our MySQL + Solr database architecture, why it offers us the most consistent fast and reliable results, and how it supports our front end so that we can offer users a look into our "big data" holdings.

Analytical and experimental analysis of solute transport in heterogeneous porous media.

PubMed

Wu, Lei; Gao, Bin; Tian, Yuan; Muñoz-Carpena, Rafael

2014-01-01

Knowledge of solute transport in heterogeneous porous media is crucial to monitor contaminant fate and transport in soil and groundwater systems. In this study, we present new findings from experimental and mathematical analysis to improve current understanding of solute transport in structured heterogeneous porous media. Three saturated columns packed with different sand combinations were used to examine the breakthrough behavior of bromide, a conservative tracer. Experimental results showed that bromide had different breakthrough responses in the three types of sand combinations, indicating that heterogeneity in hydraulic conductivity has a significant effect on the solute transport in structured heterogeneous porous media. Simulations from analytical solutions of a two-domain solute transport model matched experimental breakthrough data well for all the experimental conditions tested. Experimental and model results show that under saturated flow conditions, advection dominates solute transport in both fast-flow and slow-flow domains. The sand with larger hydraulic conductivity provided a preferential flow path for solute transport (fast-flow domain) that dominates the mass transfer in the heterogeneous porous media. Importantly, the transport in the slow-flow domain and mass exchange between the domains also contribute to the flow and solute transport processes and thus must be considered when investigating contaminant transport in heterogeneous porous media.

The Longhorn Array Database (LAD): An Open-Source, MIAME compliant implementation of the Stanford Microarray Database (SMD)

PubMed Central

Killion, Patrick J; Sherlock, Gavin; Iyer, Vishwanath R

2003-01-01

Background The power of microarray analysis can be realized only if data is systematically archived and linked to biological annotations as well as analysis algorithms. Description The Longhorn Array Database (LAD) is a MIAME compliant microarray database that operates on PostgreSQL and Linux. It is a fully open source version of the Stanford Microarray Database (SMD), one of the largest microarray databases. LAD is available at Conclusions Our development of LAD provides a simple, free, open, reliable and proven solution for storage and analysis of two-color microarray data. PMID:12930545

Laboratory study on the kinetics of the warming of cold fluids-A hot topic.

PubMed

Mendibil, Alexandre; Jost, Daniel; Thiry, Aurélien; Garcia, Delphine; Trichereau, Julie; Frattini, Benoit; Dang-Minh, Pascal; Maurin, Olga; Margerin, Sylvie; Domanski, Laurent; Tourtier, Jean-Pierre

2016-10-01

In case of mild therapeutic hypothermia after an out-of-hospital cardiac arrest, several techniques could limit the cold fluid rewarming during its perfusion. We aimed to evaluate cold fluid temperature evolution and to identify the factors responsible for rewarming in order to suggest a prediction model of temperature evolution. This was a laboratory experimental study. We measured temperature at the end of the infusion line tubes (ILT). A 500ml saline bag at 4°C was administered at 15 and 30ml/min, with and without cold packs applied to the cold fluid bag or to the ILT. Cold fluid temperature was integrated in a linear mixed model. Then we performed a mathematical modelization of the thermal transfer across the ILT. The linear mixed model showed that the mean temperature of the cold fluid was 1°C higher (CI 95%: [0.8-1.2]) with an outflow rate of 15 versus 30ml/min (P<0.001). Similarly, the mean temperature of the cold fluid was 0.7°C higher (CI 95%: [0.53-0.9]) without cold pack versus with cold packs (P<0.001). Mathematical modelization of the thermal transfer across the ILT suggested that the cold fluid warming could be reduced by a shorter and a wider ILT. As expected, use of CP has also a noticeable influence on warning reduction. The combination of multiple parameters working against the rewarming of the solution should enable the infusion of a solute with retained caloric properties. By limiting this "ILT effect," the volume required for inducing mild therapeutic hypothermia could be reduced, leading to a safer and a more efficient treatment. Copyright © 2016 Société française d'anesthésie et de réanimation (Sfar). Published by Elsevier Masson SAS. All rights reserved.

The escape of high explosive products: An exact-solution problem for verification of hydrodynamics codes

DOE PAGES

Doebling, Scott William

2016-10-22

This paper documents the escape of high explosive (HE) products problem. The problem, first presented by Fickett & Rivard, tests the implementation and numerical behavior of a high explosive detonation and energy release model and its interaction with an associated compressible hydrodynamics simulation code. The problem simulates the detonation of a finite-length, one-dimensional piece of HE that is driven by a piston from one end and adjacent to a void at the other end. The HE equation of state is modeled as a polytropic ideal gas. The HE detonation is assumed to be instantaneous with an infinitesimal reaction zone. Viamore » judicious selection of the material specific heat ratio, the problem has an exact solution with linear characteristics, enabling a straightforward calculation of the physical variables as a function of time and space. Lastly, implementation of the exact solution in the Python code ExactPack is discussed, as are verification cases for the exact solution code.« less

The Promise of Macromolecular Crystallization in Micro-fluidic Chips

NASA Technical Reports Server (NTRS)

vanderWoerd, Mark; Ferree, Darren; Pusey, Marc

2003-01-01

Micro-fluidics, or lab on a chip technology, is proving to be a powerful, rapid, and efficient approach to a wide variety of bio-analytical and microscale bio-preparative needs. The low materials consumption, combined with the potential for packing a large number of experiments in a few cubic centimeters, makes it an attractive technique for both initial screening and subsequent optimization of macromolecular crystallization conditions. Screening operations, which require equilibrating macromolecule solution with a standard set of premixed solutions, are relatively straightforward and have been successfully demonstrated in a micro-fluidics platform. More complex optimization methods, where crystallization solutions are independently formulated from a range of stock solutions, are considerably more complex and have yet to be demonstrated. To be competitive with either approach, a micro-fluidics system must offer ease of operation, be able to maintain a sealed environment over several weeks to months, and give ready access for the observation of crystals as they are grown.

Influence of liquid and gas flow rates on sulfuric acid mist removal from air by packed bed tower

PubMed Central

2012-01-01

The possible emission of sulfuric acid mists from a laboratory scale, counter-current packed bed tower operated with a caustic scrubbing solution was studied. Acid mists were applied through a local exhaust hood. The emissions from the packed bed tower were monitored in three different categories of gas flow rate as well as three liquid flow rates, while other influencing parameters were kept almost constant. Air sampling and sulfuric acid measurement were carried out iso-kinetically using USEPA method 8. The acid mists were measured by the barium-thorin titration method. According to the results when the gas flow rate increased from 10 L/s to 30 L/s, the average removal efficiency increased significantly (p < 0.001) from 76.8 ± 1.8% to 85.7 ± 1.2%. Analysis of covariance method followed by Tukey post-hoc test of 92 tests did not show a significant change in removal efficiency between liquid flow rates of 1.5, 2.5 and 3.5 L/min (p = 0.811). On the other hand, with fixed pressure loss across the tower, by increasing the liquid/gas (L/G) mass ratio, the average removal efficiency decreased significantly (p = 0.001) from 89.9% at L/G of <2 to 83.1% at L/G of 2–3 and further to 80.2% at L/G of >3, respectively. L/G of 2–3 was recommended for designing purposes of a packed tower for sulfuric acid mists and vapors removal from contaminated air stream. PMID:23369487

Comparison of different packing materials for the biofiltration of air toxics.

PubMed

Sakuma, Takeyuki; Hattori, Toshihiro; Deshusses, Marc A

2006-11-01

Four different biofilter packing materials (two porous ceramics, perlite, and open pore polyurethane foam) were compared for the removal of toluene vapors. The focus was on evaluating performance at relatively short gas retention time (13.5 and 27 sec). The reactors were initially operated as biotrickling filters with continuous feeding and trickling of a nutrient solution. After significant plugging of the biotrickling filter beds with biomass was observed, the operation mode was switched to biofiltration with only periodic supply of mineral nutrients. This resulted in stable conditions, which allowed detailed investigations over > 6 months. The reactor packed with cattle bone Porcelite (CBP), a ceramic material containing some macronutrients and micronutrients, exhibited the highest performance. The critical load (i.e., load at which 95% removal occurred) was 29 g m(-3) hr(-1) at a gas retention time of 13.5 sec and 66 g m(-3) hr(-1) at a gas retention time of 27 sec. After the long-term experiment, the packing materials were taken from the reactors and examined. The reactors were divided into three sections, top, middle, and bottom, to determine whether spatial differentiation of biomass occurred. The assays included a double-staining technique to count total and live microorganisms and determination of moisture, protein, and dry weight contents. Microbial community analysis was also conducted by denaturing gradient gel electrophoresis. The results showed that most reactors had a significant fraction of inactive biomass. Comparatively, the CBP biofilter held significantly higher densities of active biomass, which may be the reason for the higher toluene removal performance. The analyses suggest that favorable material properties and the nutrients slowly released by the CBP provided better environmental conditions for the process culture.

Attentional effects of self-affirmation in response to graphic antismoking images.

PubMed

Kessels, Loes T E; Harris, Peter R; Ruiter, Robert A C; Klein, William M P

2016-08-01

Self-affirmation has been shown to reduce defensive responding to threatening information. However, little is known about the cognitive and attentional processes underlying these effects. In the current eye-movement study, the authors explored whether self-affirmation affects attention allocation (i.e., number of fixations) among those for whom a threatening health message is self-relevant. After a self-affirmation manipulation, 47 smokers and 52 nonsmokers viewed a series of cigarette packs displaying high or low threat smoking-related images accompanied by a brief smoking message containing risk, coping or neutral textual information. Self-affirmed smokers made more fixations to the cigarette packs than did nonaffirmed smokers (across both high and low threat images), whereas self-affirmed nonsmokers made fewer fixations to the cigarette packs than did nonaffirmed nonsmokers (again across both image types). The textual information did not moderate responses. Findings indicate attention-increasing effects of self-affirmation among those for whom the information is self-relevant (smokers) and attention-decreasing effects of self-affirmation among those for whom the information is not self-relevant (nonsmokers). Such findings are consistent with the calibration model of self-affirmation (Griffin & Harris, 2011) in which self-affirmation increases sensitivity to the self-relevance of health-risk information. The use of an implicit measure of visual orienting informs our understanding of the working mechanisms of self-affirmation when encoding health information, and may also hold practical implications for the design and delivery of graphic warning labels. (PsycINFO Database Record (c) 2016 APA, all rights reserved).

Cost and appropriateness of treating asthma with fixed-combination drugs in local health care units in Italy

PubMed Central

Ruggeri, Isabella; Bragato, Donatello; Colombo, Giorgio L; Valla, Emanuela; Di Matteo, Sergio

2012-01-01

Background Bronchial asthma is a chronic airways disease and is considered to be one of the major health problems in the Western world. During the last decade, a significant increase in the use of β2-agonists in combination with inhaled corticosteroids has been observed. The aim of this study was to assess the appropriateness of expenditure on these agents in an asthmatic population treated in a real practice setting. Methods This study used data for a resident population of 635,906 citizens in the integrated patient database (Banca Dati Assistito) of a local health care unit (Milano 2 Azienda Sanitaria Locale) in the Lombardy region over 3 years (2007–2009). The sample included 3787–4808 patients selected from all citizens aged ≥ 18 years entitled to social security benefits, having a prescription for a corticosteroid + β2-agonist combination, and an ATC code corresponding to R03AK, divided into three groups, ie, pressurized (spray) drugs, inhaled powders, and extrafine formulations. Patients with chronic obstructive lung disease were excluded. Indicators of appropriateness were 1–3 packs per year (underdosed, inappropriate), 4–12 packs per year (presumably appropriate), and ≥13 packs per year (overtreatment, inappropriate). Results The corticosteroid + β2-agonist combination per treated asthmatic patient increased from 37% in 2007 to 45% in 2009 for the total of prescribed antiasthma drugs, and 28%–32% of patients used the drugs in an appropriate manner (4–12 packs per years). The cost of inappropriately used packs increased combination drug expenditure by about 40%, leading to inefficient use of health care resources. This trend improved during the 3-year observation period. The mean annual cost per patient was higher for powders (€223.95) and sprays (€224.83) than for extrafine formulation (€142.71). Conclusion Based on this analysis, we suggest implementation of better health care planning and more appropriate prescription practices aimed at optimizing use of health care resources for the treatment of bronchial asthma. The results of our study should be extended to other regional/national reference local health care units, in order to define and compare average standard costs per pathology, and consolidated through the wide sample considered. PMID:23233808

A comparison of database systems for XML-type data.

PubMed

Risse, Judith E; Leunissen, Jack A M

2010-01-01

In the field of bioinformatics interchangeable data formats based on XML are widely used. XML-type data is also at the core of most web services. With the increasing amount of data stored in XML comes the need for storing and accessing the data. In this paper we analyse the suitability of different database systems for storing and querying large datasets in general and Medline in particular. All reviewed database systems perform well when tested with small to medium sized datasets, however when the full Medline dataset is queried a large variation in query times is observed. There is not one system that is vastly superior to the others in this comparison and, depending on the database size and the query requirements, different systems are most suitable. The best all-round solution is the Oracle 11~g database system using the new binary storage option. Alias-i's Lingpipe is a more lightweight, customizable and sufficiently fast solution. It does however require more initial configuration steps. For data with a changing XML structure Sedna and BaseX as native XML database systems or MySQL with an XML-type column are suitable.

Analytical solution describing pesticide volatilization from soil affected by a change in surface condition.

PubMed

Yates, S R

2009-01-01

An analytical solution describing the fate and transport of pesticides applied to soils has been developed. Two pesticide application methods can be simulated: point-source applications, such as idealized shank or a hot-gas injection method, and a more realistic shank-source application method that includes a vertical pesticide distribution in the soil domain due to a soil fracture caused by a shank. The solutions allow determination of the volatilization rate and other information that could be important for understanding fumigant movement and in the development of regulatory permitting conditions. The solutions can be used to characterize differences in emissions relative to changes in the soil degradation rate, surface barrier conditions, application depth, and soil packing. In some cases, simple algebraic expressions are provided that can be used to obtain the total emissions and total soil degradation. The solutions provide a consistent methodology for determining the total emissions and can be used with other information, such as field and laboratory experimental data, to support the development of fumigant regulations. The uses of the models are illustrated by several examples.

Behavior of neutral solutes in pressurized flow driven electrochromatography using a mixed stationary phase of ODS and anion-exchange.

PubMed

Kitagawa, Shinya; Tsuda, Takao

2003-05-02

The behavior of neutral sample solutes in pressurized flow driven electrochromatography using a mixed stationary phase, which consisted of ODS and anion-exchange (ODS-SAX), was studied. Applications of both positive and negative voltage on a column induced increases in retention factors of sample solutes. The direction of an electroosmotic flow under applications of positive and negative voltage were the same, therefore, the sign of the surface charge density under positive and negative voltage was opposite. We proposed a new equation for the relationship between applied voltage and surface charge density, and the practical electroosmotic flow conformed to this equation. Studying the electroosmotic flow using our proposed equation revealed that the applied negative voltage accelerates the protonation of the quaternary ammonium group and dissociation of the silanol group on packing materials. The retention behavior of a neutral solute was affected by the existence of the charged functional groups. We propose that this phenomenon is applicable to the control of the retention behavior of a sample solute using an electric field.

Evaluation of Membrane Systems for Washing/Deglycerolizing Packed Red Blood Cells

DTIC Science & Technology

1987-03-20

d process should reduce the ss than 400 mOsm/kg H20 minutes. The plasma should be less than of centrifugal cessfully demonstrated the rane...2000 ml of wash solution in 35 to 45 minutes. The plasma hemoglobin (Hb) concentration in the washed RBCs should be less than 150 mg/dl. During...plasmapheresis, and the concentration of blood plasma applications, the membranes retain blood but remove water and paration that must be accomplished

A Comparison of Cocrystal Structure Solutions from Powder and Single Crystal Techniques

DOE Office of Scientific and Technical Information (OSTI.GOV)

S Lapidus; P Stephens; K Arora

We demonstrate the effectiveness and accuracy of high resolution powder diffraction for determination of cocrystal structures through a double-blind study. Structures of 10 cocrystals of varying complexity were determined independently using single crystal and powder techniques. The two methodologies give identical molecular packing and hydrogen bond topology, and an rms difference in covalent bond lengths of 0.035 {angstrom}. Powder techniques are clearly sufficient to establish a complete characterization of cocrystal geometry.

Electrophoretic fractional elution apparatus employing a rotational seal fraction collector

NASA Technical Reports Server (NTRS)

Bier, M. (Inventor)

1977-01-01

Electrophoretic fractional elution apparatus which has a column with a rotating seal joint is described. A thin jet of eluting buffer is directed across the lumen of the electrophoretic column in a direction perpendicular to that of electrophoretic migration. Either the content of the column is rotated with respect to the stationary jet, or the jet is rotated with respect to the column. The system may employ electrophoresis either in free solution or in packed columns.

History & implementation of Item Unique Identification (IUID) - Has it Improved Asset Visibility?

DTIC Science & Technology

2012-03-27

figure 3) as of November 2011 on their progress in implementing IUID38: 10 Objectives • Policy Updates • Systems Updates (AIS and ERP ...Implement SAP Enhancement Pack – Nov 2013 • Design & build LMP IUID solution – Aug 2014 • Integrate & test with Trading Partners, Army IUID...issues Objectives • Policy Updates • Systems Updates (AIS and ERP ) • Contract Compliance Rate • Physical Marking • Use of IUID Registry IUID Scorecard

Singlet Fission and Excimer Formation in Disordered Solids of Alkyl-Substituted 1,3-Diphenylisobenzofurans

DOE PAGES

Dron, Paul I.; Michl, Josef; Johnson, Justin C.

2017-10-16

Here, we describe the preparation and excited state dynamics of three alkyl derivatives of 1,3-diphenylisobenzofuran (1) in both solutions and thin films. The substitutions are intended to disrupt the slip-stacked packing observed in crystals of 1 while maintaining the favorable energies of singlet and triplet for singlet fission (SF). All substitutions result in films that are largely amorphous as judged by the absence of strong X-ray diffraction peaks.

Coprocessed nuclear fuels containing (U, Pu) values as oxides, carbides or carbonitrides

DOEpatents

Lloyd, M.H.

1981-01-09

Method for direct coprocessing of nuclear fuels derived from a product stream of fuels reprocessing facility containing uranium, plutonium, and fission product values comprising nitrate stabilization of said stream vacuum concentration to remove water and nitrates, neutralization to form an acid deficient feed solution for the internal gelation mode of sol-gel technology, green spherule formation, recovery and treatment for loading into a fuel element by vibra packed or pellet formation technologies.

Coprocessed nuclear fuels containing (U, Pu) values as oxides, carbides or carbonitrides

DOEpatents

Lloyd, Milton H.

1983-01-01

Method for direct coprocessing of nuclear fuels derived from a product stream of a fuels reprocessing facility containing uranium, plutonium, and fission product values comprising nitrate stabilization of said stream vacuum concentration to remove water and nitrates, neutralization to form an acid deficient feed solution for the internal gelation mode of sol-gel technology, green spherule formation, recovery and treatment for loading into a fuel element by vibra packed or pellet formation technologies.

Optimization of Ripe Olive Processing with a Single Lye Treatment.

PubMed

Brenes, Manuel; Romero, Concepción; García-García, Pedro

2017-09-01

The development of a method for darkening black ripe olives during the washing step with a single NaOH treatment and preservation liquid was studied. Olives of the Hojiblanca cultivar were darkened at pilot plant scale, packed, sterilized, and analyzed after 2 mo of storage at ambient temperature. It was found that the use of a mixture of preservation liquid:water at a ratio of 1:1 during the first washing gave rise to darker olives with slightly better firmness and no effect on sensory quality. However, care must be taken with the concentration of acetic acid in the preservation solution, as a content of this organic acid higher than 25 g/L can cause adverse effects on olive color due to the low pH that can be reached in the flesh of the fruit. Additionally, the re-use of the preservation solution in the first washing resulted in enrichment in antioxidant compounds of the packed product. Black ripe olives processed with preservation liquid had a total phenolic content of 629 mg/kg, whereas those with only tap water had 376 mg/kg, in particular hydroxytyrosol and hydroxytyrosol-4-glucoside. These findings mean that it is possible to get darker olives with higher contents in bioactive substances by reusing the preservation liquid during the darkening step of black ripe olives. © 2017 Institute of Food Technologists®.

Anticorrosion performance of chromized coating prepared by pack cementation in simulated solution with H2S and CO2

NASA Astrophysics Data System (ADS)

Wang, Qin-Ying; Behnamian, Yashar; Luo, Hong; Wang, Xian-Zong; Leitch, Michael; Zeng, Hongbo; Luo, Jing-Li

2017-10-01

A hash service environment containing H2S and CO2 in oil industry usually causes corrosion of carbon steel. In this study, the chromized coatings with different deposited time were prepared on the surface of carbon steel by the method of pack cementation to enhance its corrosion resistance. Then the microstructure, hardness, corrosion resistance as well as the semiconductor behavior of coatings in the simulated solution with saturated H2S and CO2 were investigated. The results show that the content of Cr in coating was increased by prolonging deposited time, and both chromium carbides and chromium nitrides were formed. Furthermore, coatings display higher polarization resistance, Rp, than that of the substrate, indicating a higher resistance to charge transfer on coating surface. The corrosion rates of coatings with different deposited time were significantly lower than that of substrate. Chemical analysis showed the formation of heavy sulfides on the surface of substrates after corrosion, while the least corrosion products were detected on the surface of coating with deposited time of 12 h. Mott-Schottky results indicated that coating of 12 h displayed less defects than the other two coatings with deposited time of 4 h and 8 h, which will be beneficial to improve corrosion resistance. The investigation showed that chromized coatings exhibited high corrosion resistance and owned a potential application in oil industry for corrosion prevention.

Controlling microstructure of pentacene derivatives by solution processing: impact of structural anisotropy on optoelectronic properties.

PubMed

James, David T; Frost, Jarvist M; Wade, Jessica; Nelson, Jenny; Kim, Ji-Seon

2013-09-24

The consideration of anisotropic structural properties and their impact on optoelectronic properties in small-molecule thin films is vital to understand the performance of devices incorporating crystalline organic semiconductors. Here we report on the important relationship between structural and optoelectronic anisotropy in aligned, functionalized-pentacene thin films fabricated using the solution-based zone-casting technique. The microstructure of thin films composed of 6,13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene) and 6,13-bis(triethylsilylethynyl)pentacene (TES-pentacene) is systematically controlled by varying the casting speed. By controlling the structural alignment, we were able to experimentally decouple, for the first time in these films, an intramolecular absorption transition dipole (at ∼440 nm) oriented close to the pentacene short axis and an intermolecular absorption transition dipole (at ∼695 nm) oriented predominantly along the conjugated pentacene-pentacene core stacking axis (crystallographic a-axis) in both films. Using the intermolecular absorption as a signature for intermolecular delocalization, much higher optical dichroism was obtained in TES-pentacene (16 ± 6) than TIPS-pentacene (3.2 ± 0.1), which was attributed to the 1D packing structure of TES-pentacene compared to the 2D packing structure of TIPS-pentacene. This result was also supported by field-effect mobility anisotropy measurements of the films, with TES-pentacene exhibiting a higher anisotropy (∼21-47, depending on the casting speed) than TIPS-pentacene (∼3-10).

Systematic Approach to Electrostatically Induced 2D Crystallization of Nanoparticles at Liquid Interfaces

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fukuto, M.; Kewalramani, S.; Wang, S.

2011-02-07

We report an experimental demonstration of a strategy for inducing two-dimensional (2D) crystallization of charged nanoparticles on oppositely charged fluid interfaces. This strategy aims to maximize the interfacial adsorption of nanoparticles, and hence their lateral packing density, by utilizing a combination of weakly charged particles and a high surface charge density on the planar interface. In order to test this approach, we investigated the assembly of cowpea mosaic virus (CPMV) on positively charged lipid monolayers at the aqueous solution surface, by means of in situ X-ray scattering measurements at the liquid-vapor interface. The assembly was studied as a function ofmore » the solution pH, which was used to vary the charge on CPMV, and of the mole fraction of the cationic lipid in the binary lipid monolayer, which set the interface charge density. The 2D crystallization of CPMV occurred in a narrow pH range just above the particle's isoelectric point, where the particle charge was weakly negative, and only when the cationic-lipid fraction in the monolayer exceeded a threshold. The observed 2D crystals exhibited nearly the same packing density as the densest lattice plane within the known 3D crystals of CPMV. The above electrostatic approach of maximizing interfacial adsorption may provide an efficient route to the crystallization of nanoparticles at aqueous interfaces.« less

Impact of female-oriented cigarette packaging in the United States.

PubMed

Hammond, David; Doxey, Juliana; Daniel, Samantha; Bansal-Travers, Maansi

2011-07-01

Cigarette packaging is among the most prominent forms of tobacco marketing. This study examined the impact of cigarette pack design among young women in the United States. A national sample of 18- to 19-year-old females in the United States completed an online survey in February 2010. Participants were randomized to view eight cigarette packs designed according to one of four experimental conditions: fully branded female packs, same packs without descriptors (e.g., "slims"), same packs without brand imagery or descriptors ("plain" packs), and branded non-female brands. Participants rated packs on measures of appeal and health risk and completed a behavioral pack selection task. Fully branded female packs were rated significantly more appealing than the same packs without descriptors, "plain" packs, and non-female-branded packs. Female-branded packs were associated with a greater number of positive attributes including glamour, slimness, and attractiveness and were more likely to be perceived as less harmful. Approximately 40% of smokers and nonsmokers requested a pack at the end of the study; female-branded packs were 3 times more likely to be selected than plain packs. Plain packaging and removing descriptors such as "slims" from cigarette packs may reduce smoking susceptibility among young women.

How to tackle protein structural data from solution and solid state: An integrated approach.

PubMed

Carlon, Azzurra; Ravera, Enrico; Andrałojć, Witold; Parigi, Giacomo; Murshudov, Garib N; Luchinat, Claudio

2016-02-01

Long-range NMR restraints, such as diamagnetic residual dipolar couplings and paramagnetic data, can be used to determine 3D structures of macromolecules. They are also used to monitor, and potentially to improve, the accuracy of a macromolecular structure in solution by validating or "correcting" a crystal model. Since crystal structures suffer from crystal packing forces they may not be accurate models for the macromolecular structures in solution. However, the presence of real differences should be tested for by simultaneous refinement of the structure using both crystal and solution NMR data. To achieve this, the program REFMAC5 from CCP4 was modified to allow the simultaneous use of X-ray crystallographic and paramagnetic NMR data and/or diamagnetic residual dipolar couplings. Inconsistencies between crystal structures and solution NMR data, if any, may be due either to structural rearrangements occurring on passing from the solution to solid state, or to a greater degree of conformational heterogeneity in solution with respect to the crystal. In the case of multidomain proteins, paramagnetic restraints can provide the correct mutual orientations and positions of domains in solution, as well as information on the conformational variability experienced by the macromolecule. Copyright © 2016 Elsevier B.V. All rights reserved.

Shock Dynamics for particle-laden thin film

NASA Astrophysics Data System (ADS)

Wang, Li; Bertozzi, Andrea

2013-11-01

We study the shock dynamics for a recently proposed system of conservation laws (Murisic et al. [J. Fluid Mech. 2013]) describing gravity-driven thin film flow of a suspension of particles down an incline. When the particle concentration is above a critical value, singular shock solutions can occur. We analyze the Hugoniot topology associated with the Riemann problem for this system, describing in detail how the transition from a double shock to a singular shock happen. We also derive the singular shock speed based on a key observation that the particles pilling up at the maximum packing fraction near the contact line. These results are further applied to constant volume case to generate a rarefaction-singular shock solution. The particle/fluid front are shown to move linearly to the leading order with time to the one-third power as predicted by the Huppert solution for clear fluid.

Global Structure of HIV-1 Neutralizing Antibody IgG1 b12 is Asymmetric

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ashish, F.; Solanki, A; Boone, C

2010-01-01

Human antibody IgG1 b12 is one of the four antibodies known to neutralize a broad range of human immunodeficiency virus-1. The crystal structure of this antibody displayed an asymmetric disposition of the Fab arms relative to its Fc portion. Comparison of structures solved for other IgG1 antibodies led to a notion that crystal packing forces entrapped a 'snap-shot' of different conformations accessible to this antibody. To elucidate global structure of this unique antibody, we acquired small-angle X-ray scattering data from its dilute solution. Data analysis indicated that b12 adopts a bilobal globular structure in solution with a radius of gyrationmore » and a maximum linear dimension of {approx}54 and {approx}180 {angstrom}, respectively. Extreme similarity between its solution and crystal structure concludes that non-flexible, asymmetric shape is an inherent property of this rare antibody.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doebling, Scott William

This paper documents the escape of high explosive (HE) products problem. The problem, first presented by Fickett & Rivard, tests the implementation and numerical behavior of a high explosive detonation and energy release model and its interaction with an associated compressible hydrodynamics simulation code. The problem simulates the detonation of a finite-length, one-dimensional piece of HE that is driven by a piston from one end and adjacent to a void at the other end. The HE equation of state is modeled as a polytropic ideal gas. The HE detonation is assumed to be instantaneous with an infinitesimal reaction zone. Viamore » judicious selection of the material specific heat ratio, the problem has an exact solution with linear characteristics, enabling a straightforward calculation of the physical variables as a function of time and space. Lastly, implementation of the exact solution in the Python code ExactPack is discussed, as are verification cases for the exact solution code.« less

Efficient greedy algorithms for economic manpower shift planning

NASA Astrophysics Data System (ADS)

Nearchou, A. C.; Giannikos, I. C.; Lagodimos, A. G.

2015-01-01

Consideration is given to the economic manpower shift planning (EMSP) problem, an NP-hard capacity planning problem appearing in various industrial settings including the packing stage of production in process industries and maintenance operations. EMSP aims to determine the manpower needed in each available workday shift of a given planning horizon so as to complete a set of independent jobs at minimum cost. Three greedy heuristics are presented for the EMSP solution. These practically constitute adaptations of an existing algorithm for a simplified version of EMSP which had shown excellent performance in terms of solution quality and speed. Experimentation shows that the new algorithms perform very well in comparison to the results obtained by both the CPLEX optimizer and an existing metaheuristic. Statistical analysis is deployed to rank the algorithms in terms of their solution quality and to identify the effects that critical planning factors may have on their relative efficiency.

Survey of Machine Learning Methods for Database Security

NASA Astrophysics Data System (ADS)

Kamra, Ashish; Ber, Elisa

Application of machine learning techniques to database security is an emerging area of research. In this chapter, we present a survey of various approaches that use machine learning/data mining techniques to enhance the traditional security mechanisms of databases. There are two key database security areas in which these techniques have found applications, namely, detection of SQL Injection attacks and anomaly detection for defending against insider threats. Apart from the research prototypes and tools, various third-party commercial products are also available that provide database activity monitoring solutions by profiling database users and applications. We present a survey of such products. We end the chapter with a primer on mechanisms for responding to database anomalies.

Aerodynamic Analyses and Database Development for Ares I Vehicle First Stage Separation

NASA Technical Reports Server (NTRS)

Pamadi, Bandu N.; Pei, Jing; Pinier, Jeremy T.; Klopfer, Goetz H.; Holland, Scott D.; Covell, Peter F.

2011-01-01

This paper presents the aerodynamic analysis and database development for first stage separation of Ares I A106 crew launch vehicle configuration. Separate 6-DOF databases were created for the first stage and upper stage and each database consists of three components: (a) isolated or freestream coefficients, (b) power-off proximity increments, and (c) power-on proximity increments. The isolated and power-off incremental databases were developed using data from 1% scaled model tests in AEDC VKF Tunnel A. The power-on proximity increments were developed using OVERFLOW CFD solutions. The database also includes incremental coefficients for one BDM and one USM failure scenarios.

Unraveling the Solution-State Supramolecular Structures of Donor-Acceptor Polymers and their Influence on Solid-State Morphology and Charge-Transport Properties.

PubMed

Zheng, Yu-Qing; Yao, Ze-Fan; Lei, Ting; Dou, Jin-Hu; Yang, Chi-Yuan; Zou, Lin; Meng, Xiangyi; Ma, Wei; Wang, Jie-Yu; Pei, Jian

2017-11-01

Polymer self-assembly in solution prior to film fabrication makes solution-state structures critical for their solid-state packing and optoelectronic properties. However, unraveling the solution-state supramolecular structures is challenging, not to mention establishing a clear relationship between the solution-state structure and the charge-transport properties in field-effect transistors. Here, for the first time, it is revealed that the thin-film morphology of a conjugated polymer inherits the features of its solution-state supramolecular structures. A "solution-state supramolecular structure control" strategy is proposed to increase the electron mobility of a benzodifurandione-based oligo(p-phenylene vinylene) (BDOPV)-based polymer. It is shown that the solution-state structures of the BDOPV-based conjugated polymer can be tuned such that it forms a 1D rod-like structure in good solvent and a 2D lamellar structure in poor solvent. By tuning the solution-state structure, films with high crystallinity and good interdomain connectivity are obtained. The electron mobility significantly increases from the original value of 1.8 to 3.2 cm 2 V -1 s -1 . This work demonstrates that "solution-state supramolecular structure" control is critical for understanding and optimization of the thin-film morphology and charge-transport properties of conjugated polymers. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Impact of Female-Oriented Cigarette Packaging in the United States

PubMed Central

Doxey, Juliana; Daniel, Samantha; Bansal-Travers, Maansi

2011-01-01

Introduction: Cigarette packaging is among the most prominent forms of tobacco marketing. This study examined the impact of cigarette pack design among young women in the United States. Method: A national sample of 18- to 19-year-old females in the United States completed an online survey in February 2010. Participants were randomized to view eight cigarette packs designed according to one of four experimental conditions: fully branded female packs, same packs without descriptors (e.g., “slims”), same packs without brand imagery or descriptors (“plain” packs), and branded non-female brands. Participants rated packs on measures of appeal and health risk and completed a behavioral pack selection task. Results: Fully branded female packs were rated significantly more appealing than the same packs without descriptors, “plain” packs, and non–female-branded packs. Female-branded packs were associated with a greater number of positive attributes including glamour, slimness, and attractiveness and were more likely to be perceived as less harmful. Approximately 40% of smokers and nonsmokers requested a pack at the end of the study; female-branded packs were 3 times more likely to be selected than plain packs. Conclusion: Plain packaging and removing descriptors such as “slims” from cigarette packs may reduce smoking susceptibility among young women. PMID:21486994

The CH/π hydrogen bond: Implication in chemistry

NASA Astrophysics Data System (ADS)

Nishio, M.

2012-06-01

The CH/π hydrogen bond is the weakest extreme of hydrogen bonds that occurs between a soft acid CH and a soft base π-system. Implication in chemistry of the CH/π hydrogen bond includes issues of conformation, crystal packing, and specificity in host/guest complexes. The result obtained by analyzing the Cambridge Structural Database is reviewed. The peculiar axial preference of isopropyl group in α-phellandrene and folded conformation of levopimaric acid have been explained in terms of the CH/π hydrogen bond, by high-level ab initio MO calculations. Implication of the CH/π hydrogen bond in structural biology is also discussed, briefly.

Generation of crystal structures using known crystal structures as analogues

PubMed Central

Cole, Jason C.; Groom, Colin R.; Read, Murray G.; Giangreco, Ilenia; McCabe, Patrick; Reilly, Anthony M.; Shields, Gregory P.

2016-01-01

This analysis attempts to answer the question of whether similar molecules crystallize in a similar manner. An analysis of structures in the Cambridge Structural Database shows that the answer is yes – sometimes they do, particularly for single-component structures. However, one does need to define what we mean by similar in both cases. Building on this observation we then demonstrate how this correlation between shape similarity and packing similarity can be used to generate potential lattices for molecules with no known crystal structure. Simple intermolecular interaction potentials can be used to minimize these potential lattices. Finally we discuss the many limitations of this approach. PMID:27484374

Development of a Compact and Efficient Ice Thermal Energy Storage Vessel

NASA Astrophysics Data System (ADS)

Sasaguchi, Kengo; Ishikawa, Masatoshi; Muta, Kenji; Yoshino, Kiyotaka; Hayashi, Hiroko; Baba, Yoshiyuki

In the present study, the authors propose the use of a low concentration aqueous solution as phase change material for static-type ice-storage-vessels, instead of pure water commonly used today. If an aqueous solution with low concentration is used, even when a large amount of solution (aqueous ethylene glycol in this study) is solidified and bridging of ice developed around cold tubes occurs, the pressure increase could be prevented by the existence of a continuous liquid phase in the solid-liquid two-phase layer (mushy layer) which opens to an air gap at the top of a vessel. Therefore, one can continue to solidify an aqueous solution after bridging, achieving a high ice packing factor (IPF). First, experiments using small-scale test cells have been conducted to confirm the present idea, and then we have performed experiments using a large vessel with an early practical size. It was seen that a large pressure increase is prevented for the initial concentration of the solution C0 of 1.0%, and IPF obtained using the solution is much greater than 0.65 using pure water for which the solidification must be stopped before the bridging.

Identification of family-specific residue packing motifs and their use for structure-based protein function prediction: I. Method development.

PubMed

Bandyopadhyay, Deepak; Huan, Jun; Prins, Jan; Snoeyink, Jack; Wang, Wei; Tropsha, Alexander

2009-11-01

Protein function prediction is one of the central problems in computational biology. We present a novel automated protein structure-based function prediction method using libraries of local residue packing patterns that are common to most proteins in a known functional family. Critical to this approach is the representation of a protein structure as a graph where residue vertices (residue name used as a vertex label) are connected by geometrical proximity edges. The approach employs two steps. First, it uses a fast subgraph mining algorithm to find all occurrences of family-specific labeled subgraphs for all well characterized protein structural and functional families. Second, it queries a new structure for occurrences of a set of motifs characteristic of a known family, using a graph index to speed up Ullman's subgraph isomorphism algorithm. The confidence of function inference from structure depends on the number of family-specific motifs found in the query structure compared with their distribution in a large non-redundant database of proteins. This method can assign a new structure to a specific functional family in cases where sequence alignments, sequence patterns, structural superposition and active site templates fail to provide accurate annotation.

Integrated Functional and Executional Modelling of Software Using Web-Based Databases

NASA Technical Reports Server (NTRS)

Kulkarni, Deepak; Marietta, Roberta

1998-01-01

NASA's software subsystems undergo extensive modification and updates over the operational lifetimes. It is imperative that modified software should satisfy safety goals. This report discusses the difficulties encountered in doing so and discusses a solution based on integrated modelling of software, use of automatic information extraction tools, web technology and databases. To appear in an article of Journal of Database Management.

Biomimetic synthesis of sericin and silica hybrid colloidosomes for stimuli-responsive anti-cancer drug delivery systems.

PubMed

Yang, Ying; Cai, Yurong; Sun, Ning; Li, Ruijing; Li, Wenhua; Kundu, Subhas C; Kong, Xiangdong; Yao, Juming

2017-03-01

Colloidosomes are becoming popular due to their significant flexibility with respect to microcapsule functionality. This study reports a facile approach for synthesizing silica colloidosomes by using sericin microcapsule as the matrix in an environment-friendly method. The silica colloid arrangement on the sericin microcapsules are orchestrated by altering the reaction parameters. Doxorubicin (DOX), used as a hydrophilic anti-cancer drug model, is encapsulated into the colloidosomes in a mild aqueous solution and becomes stimuli-responsive to different external environments, including pH values, protease, and ionic strength are also observed. Colloidosomes with sub-monolayers, close-packed monolayers, and close-packed multi-layered SiO 2 colloid shells can be fabricated under the optimized reaction conditions. A flexible DOX release from colloidosomes can be obtained via modulating the SiO 2 colloid layer arrangement and thickness. The close-packed and multi-layered SiO 2 colloid shells can best protect the colloidosomes and delay the rapid cargo release. MG-63 cells are killed when doxorubicin is released from the microcapsules due to degradation in the microenvironment of cancer cells. The drug release period is prolonged as SiO 2 shell thickness and integrity increase. This work suggests that the hybrid colloidosomes can be effective in a bioactive molecule delivery system. Copyright © 2016 Elsevier B.V. All rights reserved.

Distinct solvent- and temperature-dependent packing arrangements of anti-parallel β-sheet polyalanines studied with solid-state 13C NMR and MD simulation.

PubMed

Kametani, Shunsuke; Tasei, Yugo; Nishimura, Akio; Asakura, Tetsuo

2017-08-09

Polyalanine (polyA) sequences are well known as the simplest sequence that naturally forms anti-parallel β-sheets and constitute a key element in the structure of spider and wild silkworm silk fibers. We have carried out a systematic analysis of the packing of anti-parallel β-sheets for (Ala) n , n = 5, 6, 7 and 12, using primarily 13 C solid-state NMR and MD simulation. HFIP and TFA are frequently used as the dope solvents for recombinant silks, and polyA was solidified from both HFIP and TFA solutions by drying. An analysis of Ala Cβ peaks in the 13 C CP/MAS NMR spectra indicated that polyA from HFIP was mainly rectangular but polyA from TFA was mainly staggered. The transition from the rectangular to the staggered arrangement in (Ala) 6 was observed for the first time from the change in the Ala Cβ peak through heat treatment at 200 °C for 4 h. The removal of the bound water was confirmed by thermal analysis. This transition could be reproduced by MD simulation of (Ala) 6 molecules at 200 °C after removal of the bound water molecules. In this way, the origin of the stability of the different packing arrangements of polyA was clarified.

High growth potential and nitrogen removal performance of marine anammox bacteria in shrimp-aquaculture sediment.

PubMed

Van Duc, Luong; Song, Bongkeun; Ito, Hiroaki; Hama, Takehide; Otani, Masashi; Kawagoshi, Yasunori

2018-04-01

Anaerobic ammonium oxidation (anammox) bacteria were enriched in continuous packed-bed columns with marine sediment. One column (SB-C) was packed with only marine sediment collected from a shrimp-aquaculture pond, and another column (SB-AMX) was inoculated with marine anammox bacteria (MAB) as a control. These columns were continuously fed with natural or artificial seawater including ammonium (NH 4 + ) and nitrite (NO 2 - ). The SB-AMX showed anammox activities from the beginning and continued for over 200 days. However, the SB-C had no nitrogen removal performance for over 170 days. After adding a bicarbonate solution (KHCO 3 ) to the sediment-only packed column, anammox activity was observed within 13 days. The column exhibited a nitrogen removal efficiency (NRE) of 88% at a nitrogen loading rate (NLR) of 1.0 kg-N·m -3 ·day -1 , which was comparable to the control one. A next-generation sequencing analysis revealed the predominance of MAB related to "Candidatus Scalindua spp.". In addition, the co-occurrence of sulfur-oxidizing denitrifiers was observed, which suggests their symbiotic relationship. This study suggests the applicability of MAB for in-situ bioremediation of nitrogen-contaminated marine sediments and reveals a potential microbial interaction between anammox and sulfur-oxidizing communities responsible for nitrogen and sulfur cycling in marine aquaculture systems. Copyright © 2017 Elsevier Ltd. All rights reserved.

Packing optimization for automated generation of complex system's initial configurations for molecular dynamics and docking.

PubMed

Martínez, José Mario; Martínez, Leandro

2003-05-01

Molecular Dynamics is a powerful methodology for the comprehension at molecular level of many chemical and biochemical systems. The theories and techniques developed for structural and thermodynamic analyses are well established, and many software packages are available. However, designing starting configurations for dynamics can be cumbersome. Easily generated regular lattices can be used when simple liquids or mixtures are studied. However, for complex mixtures, polymer solutions or solid adsorbed liquids (for example) this approach is inefficient, and it turns out to be very hard to obtain an adequate coordinate file. In this article, the problem of obtaining an adequate initial configuration is treated as a "packing" problem and solved by an optimization procedure. The initial configuration is chosen in such a way that the minimum distance between atoms of different molecules is greater than a fixed tolerance. The optimization uses a well-known algorithm for box-constrained minimization. Applications are given for biomolecule solvation, many-component mixtures, and interfaces. This approach can reduce the work of designing starting configurations from days or weeks to few minutes or hours, in an automated fashion. Packing optimization is also shown to be a powerful methodology for space search in docking of small ligands to proteins. This is demonstrated by docking of the thyroid hormone to its nuclear receptor. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 819-825, 2003

Ultrathin free-standing close-packed gold nanoparticle films: conductivity and Raman scattering enhancement.

PubMed

Yu, Qing; Huang, Hongwen; Peng, Xinsheng; Ye, Zhizhen

2011-09-01

A simple filtration technique was developed to prepare large scale free-standing close-packed gold nanoparticle ultrathin films using metal hydroxide nanostrands as both barrier layer and sacrificial layer. As thin as 70 nm, centimeter scale robust free-standing gold nanoparticle thin film was obtained. The thickness of the films could be easily tuned by the filtration volumes. The electronic conductivities of these films varied with the size of the gold nanoparticles, post-treatment temperature, and thickness, respectively. The conductivity of the film prepared from 20 nm gold nanoparticles is higher than that of the film prepared from 40 nm gold nanoparticle by filtering the same filtration volume of their solution, respectively. Their conductivities are comparable to that of the 220 nm thick ITO film. Furthermore, these films demonstrated an average surface Raman scattering enhancement up to 6.59 × 10(5) for Rhodamine 6 G molecules on the film prepared from 40 nm gold nanoparticles. Due to a lot of nano interspaces generated from the close-packed structures, two abnormal enhancements and relative stronger intensities of the asymmetrical vibrations at 1534 and 1594 cm(-1) of R6G were observed, respectively. These robust free-standing gold nanoparticle films could be easily transferred onto various solid substrates and hold the potential application for electrodes and surface enhanced Raman detectors. This method is applicable for preparation of other nanoparticle free-standing thin films.

High-resolution structures of a heterochiral coiled coil

DOE PAGES

Mortenson, David E.; Steinkruger, Jay D.; Kreitler, Dale F.; ...

2015-10-12

Interactions between polypeptide chains containing amino acid residues with opposite absolute configurations have long been a source of interest and speculation, but there is very little structural information for such heterochiral associations. The need to address this lacuna has grown in recent years because of increasing interest in the use of peptides generated from D amino acids (D peptides) as specific ligands for natural proteins, e.g., to inhibit deleterious protein–protein interactions. Coiled–coil interactions, between or among α-helices, represent the most common tertiary and quaternary packing motif in proteins. Heterochiral coiled–coil interactions were predicted over 50 years ago by Crick, andmore » limited experimental data obtained in solution suggest that such interactions can indeed occur. To address the dearth of atomic-level structural characterization of heterochiral helix pairings, we report in this paper two independent crystal structures that elucidate coiled-coil packing between L- and D-peptide helices. Both structures resulted from racemic crystallization of a peptide corresponding to the transmembrane segment of the influenza M2 protein. Networks of canonical knobs-into-holes side-chain packing interactions are observed at each helical interface. Finally, however, the underlying patterns for these heterochiral coiled coils seem to deviate from the heptad sequence repeat that is characteristic of most homochiral analogs, with an apparent preference for a hendecad repeat pattern.« less

Intrinsic Curvature-Mediated Transbilayer Coupling in Asymmetric Lipid Vesicles

DOE PAGES

Eicher, Barbara; Marquardt, Drew; Heberle, Frederick A.; ...

2018-01-09

We measured the effect of intrinsic lipid curvature, J 0, on structural properties of asymmetric vesicles made of palmitoyl-oleoyl-phosphatidylethanolamine (POPE; J 0 < 0) and palmitoyl-oleoyl-phosphatidylcholine (POPC; J 0 ~ 0). Electron microscopy and dynamic light scattering were used to determine vesicle size and morphology, and x-ray and neutron scattering, combined with calorimetric experiments and solution NMR, yielded insights into leaflet-specific lipid packing and melting processes. Below the lipid melting temperature we observed strong interleaflet coupling in asymmetric vesicles with POPE inner bilayer leaflets and outer leaflets enriched in POPC. This lipid arrangement manifested itself by lipids melting cooperatively inmore » both leaflets, and a rearrangement of lipid packing in both monolayers. On the other hand, no coupling was observed in vesicles with POPC inner bilayer leaflets and outer leaflets enriched in POPE. In this case, the leaflets melted independently and did not affect each other’s acyl chain packing. Furthermore, we found no evidence for transbilayer structural coupling above the melting temperature of either sample preparation. Our results are consistent with the energetically preferred location of POPE residing in the inner leaflet, where it also resides in natural membranes, most likely causing the coupling of both leaflets. The loss of this coupling in the fluid bilayers is most likely the result of entropic contributions.« less

Carburizing treatment of low alloy steels: Effect of technological parameters

NASA Astrophysics Data System (ADS)

Benarioua, Younes

2018-05-01

The surface areas of the parts subjected to mechanical loads influence to a great extent the resistance to wear and fatigue. In majority of cases, producing of a hard superficial layer on a tough substrate is conducive to an increased resistance to mechanical wear and fatigue. Cementation treatment of low alloy steels which bonds superficial martensitic layer of high hardness and lateral compressive to a core of lower hardness and greater toughness is an example of a good solution of the problem. The high hardness of the martensitic layer is due to an increased concentration of interstitial carbon atoms in the austenite before quenching. The lower hardness of the core after quenching is due to the presence of ferrite and pearlite components which appear if the cooling rate after austenitization becomes lower than the critical on. The objective of the present study was to obtain a cemented surface layer on low alloy steel by means of pack carburizing treatment. Different steel grades, austenitization temperatures as well as different soaking times were used as parameters of the pack carburizing treatment. During this treatment, carbon atoms from the pack powder diffuse toward the steels surface and form compounds of iron carbides. The effect of carburizing parameters on the transformation rate of low carbon surface layer of the low alloy steel to the cemented one was investigated by several analytical techniques.

Carotenoid stoichiometry in the LH2 crystal: no spectral evidence for the presence of the second molecule in the alpha/beta-apoprotein dimer.

PubMed

Gall, Andrew; Gardiner, Alastair T; Cogdell, Richard J; Robert, Bruno

2006-07-10

In this work we have investigated the carotenoid-protein interactions in LH2 complexes of Rhodopseudomonas acidophila both in "free in solution" mixed-micelles and in three-dimensional crystals by Raman spectroscopy in resonance with the carotenoid (Car) molecules. We show that the Car molecules when bound to their binding pockets show no significant differences when the complexes are "free in solution" or packed in crystalline arrays. Furthermore, there is no significant wavelength dependence in the Raman spectrum of the Car molecules of LH2. This indicates that there is only one Car configuration in LH2 and thus only one molecule per alpha/beta-heterodimer.

Organic aerogel microspheres

DOEpatents

Mayer, S.T.; Kong, F.M.; Pekala, R.W.; Kaschmitter, J.L.

1999-06-01

Organic aerogel microspheres are disclosed which can be used in capacitors, batteries, thermal insulation, adsorption/filtration media, and chromatographic packings, having diameters ranging from about 1 micron to about 3 mm. The microspheres can be pyrolyzed to form carbon aerogel microspheres. This method involves stirring the aqueous organic phase in mineral oil at elevated temperature until the dispersed organic phase polymerizes and forms nonstick gel spheres. The size of the microspheres depends on the collision rate of the liquid droplets and the reaction rate of the monomers from which the aqueous solution is formed. The collision rate is governed by the volume ratio of the aqueous solution to the mineral oil and the shear rate, while the reaction rate is governed by the chemical formulation and the curing temperature.

Organic aerogel microspheres

DOEpatents

Mayer, Steven T.; Kong, Fung-Ming; Pekala, Richard W.; Kaschmitter, James L.

1999-01-01

Organic aerogel microspheres which can be used in capacitors, batteries, thermal insulation, adsorption/filtration media, and chromatographic packings, having diameters ranging from about 1 micron to about 3 mm. The microspheres can be pyrolyzed to form carbon aerogel microspheres. This method involves stirring the aqueous organic phase in mineral oil at elevated temperature until the dispersed organic phase polymerizes and forms nonsticky gel spheres. The size of the microspheres depends on the collision rate of the liquid droplets and the reaction rate of the monomers from which the aqueous solution is formed. The collision rate is governed by the volume ratio of the aqueous solution to the mineral oil and the shear rate, while the reaction rate is governed by the chemical formulation and the curing temperature.

Organic aerogel microspheres and fabrication method therefor

DOEpatents

Mayer, S.T.; Kong, F.M.; Pekala, R.W.; Kaschmitter, J.L.

1996-04-16

Organic aerogel microspheres which can be used in capacitors, batteries, thermal insulation, adsorption/filtration media, and chromatographic packings, having diameters ranging from about 1 micron to about 3 mm. The microspheres can be pyrolyzed to form carbon aerogel microspheres. This method involves stirring the aqueous organic phase in mineral oil at elevated temperature until the dispersed organic phase polymerizes and forms nonsticky gel spheres. The size of the microspheres depends on the collision rate of the liquid droplets and the reaction rate of the monomers from which the aqueous solution is formed. The collision rate is governed by the volume ratio of the aqueous solution to the mineral oil and the shear rate, while the reaction rate is governed by the chemical formulation and the curing temperature.

Organic aerogel microspheres and fabrication method therefor

DOEpatents

Mayer, Steven T.; Kong, Fung-Ming; Pekala, Richard W.; Kaschmitter, James L.

1996-01-01

Organic aerogel microspheres which can be used in capacitors, batteries, thermal insulation, adsorption/filtration media, and chromatographic packings, having diameters ranging from about 1 micron to about 3 mm. The microspheres can be pyrolyzed to form carbon aerogel microspheres. This method involves stirring the aqueous organic phase in mineral oil at elevated temperature until the dispersed organic phase polymerizes and forms nonsticky gel spheres. The size of the microspheres depends on the collision rate of the liquid droplets and the reaction rate of the monomers from which the aqueous solution is formed. The collision rate is governed by the volume ratio of the aqueous solution to the mineral oil and the shear rate, while the reaction rate is governed by the chemical formulation and the curing temperature.

VOLUMNECT: measuring volumes with Kinect

NASA Astrophysics Data System (ADS)

Quintino Ferreira, Beatriz; Griné, Miguel; Gameiro, Duarte; Costeira, João. Paulo; Sousa Santos, Beatriz

2014-03-01

This article presents a solution to volume measurement object packing using 3D cameras (such as the Microsoft KinectTM). We target application scenarios, such as warehouses or distribution and logistics companies, where it is important to promptly compute package volumes, yet high accuracy is not pivotal. Our application auto- matically detects cuboid objects using the depth camera data and computes their volume and sorting it allowing space optimization. The proposed methodology applies to a point cloud simple computer vision and image processing methods, as connected components, morphological operations and Harris corner detector, producing encouraging results, namely an accuracy in volume measurement of 8mm. Aspects that can be further improved are identified; nevertheless, the current solution is already promising turning out to be cost effective for the envisaged scenarios.

An Exact, Compressible One-Dimensional Riemann Solver for General, Convex Equations of State

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kamm, James Russell

2015-03-05

This note describes an algorithm with which to compute numerical solutions to the one- dimensional, Cartesian Riemann problem for compressible flow with general, convex equations of state. While high-level descriptions of this approach are to be found in the literature, this note contains most of the necessary details required to write software for this problem. This explanation corresponds to the approach used in the source code that evaluates solutions for the 1D, Cartesian Riemann problem with a JWL equation of state in the ExactPack package [16, 29]. Numerical examples are given with the proposed computational approach for a polytropic equationmore » of state and for the JWL equation of state.« less

MARC and Relational Databases.

ERIC Educational Resources Information Center

Llorens, Jose; Trenor, Asuncion

1993-01-01

Discusses the use of MARC format in relational databases and addresses problems of incompatibilities. A solution is presented that is in accordance with Open Systems Interconnection (OSI) standards and is based on experiences at the library of the Universidad Politecnica de Valencia (Spain). (four references) (EA)

Darcy Flow in a Wavy Channel Filled with a Porous Medium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gray, Donald D; Ogretim, Egemen; Bromhal, Grant S

2013-05-17

Flow in channels bounded by wavy or corrugated walls is of interest in both technological and geological contexts. This paper presents an analytical solution for the steady Darcy flow of an incompressible fluid through a homogeneous, isotropic porous medium filling a channel bounded by symmetric wavy walls. This packed channel may represent an idealized packed fracture, a situation which is of interest as a potential pathway for the leakage of carbon dioxide from a geological sequestration site. The channel walls change from parallel planes, to small amplitude sine waves, to large amplitude nonsinusoidal waves as certain parameters are increased. Themore » direction of gravity is arbitrary. A plot of piezometric head against distance in the direction of mean flow changes from a straight line for parallel planes to a series of steeply sloping sections in the reaches of small aperture alternating with nearly constant sections in the large aperture bulges. Expressions are given for the stream function, specific discharge, piezometric head, and pressure.« less

Fluorescence Approaches to Growing Macromolecule Crystals

NASA Technical Reports Server (NTRS)

Pusey, Marc; Forsythe, Elizabeth; Achari, Aniruddha

2006-01-01

Trace fluorescent labeling, typically < 1%, can be a powerful aid in macromolecule crystallization. Precipitation concentrates a solute, and crystals are the most densely packed solid form. The more densely packed the fluorescing material, the more brightly the emission from it, and thus fluorescence intensity of a solid phase is a good indication of whether one has crystals or not. The more brightly fluorescing crystalline phase is easily distinguishable, even when embedded in an amorphous precipitate. This approach conveys several distinct advantages: one can see what the protein is doing in response to the imposed conditions, and distinguishing between amorphous and microcrystalline precipitated phases are considerably simpler. The higher fluorescence intensity of the crystalline phase led us to test if we could derive crystallization conditions from screen outcomes which had no obvious crystalline material, but simply "bright spots" in the precipitated phase. Preliminary results show that the presence of these bright spots, not observable under white light, is indeed a good indicator of potential crystallization conditions.

Binding of an adatom to a simple metal surface

NASA Technical Reports Server (NTRS)

Huntington, H. B.; Turk, L. A.; White, W. W., III

1975-01-01

The density functional formalism of Hohenberg and Kohn is used to investigate the energies, charge densities and forces which hold an adatom on the surface of a simple metal. The valence wavefunction of the adatom is fitted to the Herman-Skillman solutions at large distance and is simplified somewhat in the core region. The field of the ion is represented by the Ashcroft pseudopotential. For the metal the jellium model is used. Detailed calculations are carried out for a sodium adatom on a sodium surface. Simply juxtaposing adatom and surface gives a binding energy of about 1/3 eV. This value is approximately twice the surface energy per atom in the close-packed plane. Charge redistributions as determined variationally increase the binding energy by about 10%. The equilibrium distance for the adatom turns out to be 1.66 A from the surface, as compared with 1.52 A, the observed value for one-half the distance between the close-packed planes.

Deployment of Large-Size Shell Constructions by Internal Pressure

NASA Astrophysics Data System (ADS)

Pestrenin, V. M.; Pestrenina, I. V.; Rusakov, S. V.; Kondyurin, A. V.

2015-11-01

A numerical study on the deployment pressure (the minimum internal pressure bringing a construction from the packed state to the operational one) of large laminated CFRP shell structures is performed using the ANSYS engineering package. The shell resists both membrane and bending deformations. Structures composed of shell elements whose median surface has an involute are considered. In the packed (natural) states of constituent elements, the median surfaces coincide with their involutes. Criteria for the termination of stepwise solution of the geometrically nonlinear problem on determination of the deployment pressure are formulated, and the deployment of cylindrical, conical (full and truncated cones), and large-size composite shells is studied. The results obtained are shown by graphs illustrating the deployment pressure in relation to the geometric and material parameters of the structure. These studies show that large pneumatic composite shells can be used as space and building structures, because the deployment pressure in them only slightly differs from the excess pressure in pneumatic articles made from films and soft materials.

Development and quality evaluation of quick cooking dhal-A convenience product.

PubMed

Sethi, Shruti; Samuel, D V K; Khan, Islam

2014-03-01

Owing to rapid urbanization and more women joining the workforce, use of ready-to-eat and ready-to-use convenience foods is gaining increasing popularity. Women require dhal that cooks fast and increases in volume when cooked. In an attempt to prepare quick cooking dhal from pigeon pea, variety UPAS 120 was milled, pre-treated with sodium chloride solution (1%), flaked and dried. The quick cooking dhal was packed in three packaging materials, namely, high molecular weight high density polyethylene (HMHDPE), high density polyethylene (HDPE) and laminated pouches. The quality evaluation of the prepared flakes with respect to the cooking quality attributes, changes in proximate composition, free fatty acid (FFA) and peroxide value (PV) were carried out during storage at ambient temperature (8-36°C) at regular intervals for a period of 10 months. During storage, quick cooking dhal packed in laminated pouches performed better than samples stored in other pouches with respect to the changes in the overall quality and acceptability of the product.

Performance characteristics and modeling of carbon dioxide absorption by amines in a packed column

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lin, S.H.; Shyu, C.T.

1999-01-01

Carbon dioxide (CO[sub 2]) is widely recognized as a major greenhouse gas contributing to global warming. To mitigate the global warming problem, removal of CO[sub 2] from the industrial flue gases is necessary. Absorption of carbon dioxide by amines in a packed column was experimentally investigated. The amines employed in the present study were the primary mono-ethanolamine (MEA) and tertiary N-methyldiethanolamine (MDEA), two very popular amines widely used in the industries for gas purification. The CO[sub 2] absorption characteristics by these two amines were experimentally examined under various operating conditions. A theoretical model was developed for describing the CO[sub 2]more » absorption behavior. Test data have revealed that the model predictions and the observed CO[sub 2] absorption breakthrough curves agree very well, validating the proposed model. Preliminary regeneration tests of exhausted amine solution were also conducted. The results indicated that the tertiary amine is easier to regenerate with less loss of absorption capacity than the primary one.« less

Injectable and microporous scaffold of densely-packed, growth factor-encapsulating chitosan microgels.

PubMed

Riederer, Michael S; Requist, Brennan D; Payne, Karin A; Way, J Douglas; Krebs, Melissa D

2016-11-05

In this work, an emulsion crosslinking method was developed to produce chitosan-genipin microgels which acted as an injectable and microporous scaffold. Chitosan was characterized with respect to pH by light scattering and aqueous titration. Microgels were characterized with swelling, light scattering, and rheometry of densely-packed microgel solutions. The results suggest that as chitosan becomes increasingly deprotonated above the pKa, repulsive forces diminish and intermolecular attractions cause pH-responsive chain aggregation; leading to microgel-microgel aggregation as well. The microgels with the most chitosan and least cross-linker showed the highest yield stress and a storage modulus of 16kPa when condensed as a microgel paste at pH 7.4. Two oppositely-charged growth factors could be encapsulated into the microgels and endothelial cells were able to proliferate into the 3D microgel scaffold. This work motivates further research on the applications of the chitosan microgel scaffold as an injectable and microporous scaffold in regenerative medicine. Copyright © 2016 Elsevier Ltd. All rights reserved.

Investigation of the column performance of cadmium(II) biosorption by Cladophora crispata flocs in a packed bed

DOE Office of Scientific and Technical Information (OSTI.GOV)

Aksu, Z.; Kutsal, T.; Caglar, A.

1998-03-01

In this study the biosorption of cadmium(II) ions to dried flocs of Cladophora crispata, a kind of green algae, was investigated in a packed bed column. The cadmium(II) removal performance of the column was investigated as a function of the cadmium(II)-bearing solution flow rate and the inlet cadmium(II) concentration. Removal and total removal percentages of cadmium(II) related to flow volume were determined by evaluating the breakthrough curves obtained at three different flow rates for two different constant inlet concentrations. At the lowest flow rate the effect of inlet cadmium(II) concentration on the column capacity was also investigated. Data confirmed thatmore » early saturation and lower cadmium(II) removals were observed at higher flow rates and at higher cadmium(II) concentrations. Column experiments also showed that maximum specific cadmium(II) uptake values of C. crispata flocs were as high as those of other biomass sorbents.« less

Simultaneous biosorption of chromium(VI) and copper(II) on Rhizopus arrhizus in packed column reactor: Application of the competitive Freundlich model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sag, Y.; Atacoglu, I.; Kutsal, T.

1999-12-01

The simultaneous biosorption of Cr(VI) and Cu(II) on free Rhizopus arrhizus in a packed column operated in the continuous mode was investigated and compared to the single metal ion situation. The breakthrough curves were measured as a function of feed flow rate, feed pH, and different combinations of metal ion concentrations in the feed solutions. Column competitive biosorption data were evaluated in terms of the maximum (equilibrium) capacity in the column, the amount of metal loading on the R. arrhizus surface, the adsorption yield, and the total adsorption yield. In the single-ion situation the adsorption isotherms were developed for optimummore » conditions, and it was seen that the adsorption equilibrium data fit the noncompetitive Freundlich model. For the multicomponent adsorption equilibrium the competitive adsorption isotherms were also developed. The competitive Freundlich model for binary metal mixtures represented most the column adsorption equilibrium data of Cr(VI) and Cu(II) on R. arrhizus satisfactorily.« less

Oxidation, Creep And Fatigue Properties of Bare and Coated 31V alloy

DOE PAGES

Dryepondt, Sebastien N.; Jones, Samuel J.; Zhang, Ying; ...

2014-12-06

Increasing the efficiency of natural gas reciprocating engines will require materials with better mechanical and corrosion resistance at high temperatures. One solution to increase the lifetime of exhaust valves is to apply an aluminide coating to prevent corrosion assisted fatigue cracking, but the impact of the coating on the valve material mechanical properties needs to be assessed. Creep and high cycle fatigue (HCF) testing were conducted at 816°C on bare and slurry or pack-coated 31V alloy. After annealing according to the 31V standard heat treatment, the coated and bare creep specimens exhibited very similar creep rupture lives. The HCF behaviormore » of the pack-coated alloy was close to the behavior of the bar alloy, but fatigue lifetimes of slurry-coated 31V specimens had higher variability. Aluminide coatings have the potential to improve the valve performance at high temperature, but the coating deposition process needs to be tailored for the substrate standard heat treatment.« less

Grafting cavitands on the Si(100) surface.

PubMed

Condorelli, Guglielmo G; Motta, Alessandro; Favazza, Maria; Fragalà, Ignazio L; Busi, Marco; Menozzi, Edoardo; Dalcanale, Enrico; Cristofolini, Luigi

2006-12-19

Cavitand molecules having double bond terminated alkyl chains and different bridging groups at the upper rim have been grafted on H-terminated Si(100) surface via photochemical hydrosilylation of the double bonds. Pure and mixed monolayers have been obtained from mesitylene solutions of either pure cavitand or cavitand/1-octene mixtures. Angle resolved high-resolution X-ray photoelectron spectroscopy has been used as the main tool for the monolayer characterization. The cavitand decorated surface consists of Si-C bonded layers with the upper rim at the top of the layer. Grafting of pure cavitands leads to not-well-packed layers, which are not able to efficiently passivate the Si(100) surface. By contrast, monolayers obtained from cavitand/1-octene mixtures consist of well-packed layers since they prevent silicon oxidation after aging. AFM measurements showed that these monolayers have a structured topography, with objects protruding from the Si(100) surface with average heights compatible with the expected ones for cavitand molecules.

DNA nanoparticles with core-shell morphology.

PubMed

Chandran, Preethi L; Dimitriadis, Emilios K; Lisziewicz, Julianna; Speransky, Vlad; Horkay, Ferenc

2014-10-14

Mannobiose-modified polyethylenimines (PEI) are used in gene therapy to generate nanoparticles of DNA that can be targeted to the antigen-presenting cells of the immune system. We report that the sugar modification alters the DNA organization within the nanoparticles from homogenous to shell-like packing. The depth-dependent packing of DNA within the nanoparticles was probed using AFM nano-indentation. Unmodified PEI-DNA nanoparticles display linear elastic properties and depth-independent mechanics, characteristic of homogenous materials. Mannobiose-modified nanoparticles, however, showed distinct force regimes that were dependent on indentation depth, with 'buckling'-like response that is reproducible and not due to particle failure. By comparison with theoretical studies of spherical shell mechanics, the structure of mannobiosylated particles was deduced to be a thin shell with wall thickness in the order of few nanometers, and a fluid-filled core. The shell-core structure is also consistent with observations of nanoparticle denting in altered solution conditions, with measurements of nanoparticle water content from AFM images, and with images of DNA distribution in Transmission Electron Microscopy.

Efficient Syntheses of Novel Fluoro-Substituted Pentacenes and Azapentacenes: Molecular and Solid-State Properties.

PubMed

Schwaben, Jonas; Münster, Niels; Klues, Michael; Breuer, Tobias; Hofmann, Philipp; Harms, Klaus; Witte, Gregor; Koert, Ulrich

2015-09-21

Non-symmetrical 6,13-disubstituted pentacenes bearing trifluoromethyl and aryl substituents have been synthesized starting from pentacenequinone. Diazapentacenes with a variety of fluorine substituents were prepared either via a Hartwig-Buchwald aryl amination route or by a SNAr strategy. As a result of a non-symmetric substitution pattern containing electron-donating substituents in combination with electron-accepting fluorine substituents, the synthesized compounds feature distinct molecular dipoles. All compounds are analyzed regarding their optoelectronic properties in solution with special focus on the frontier orbital energies as well as their molecular packing in the crystal structures. The analyses of isolated molecules are complemented by thin-film studies to examine their solid-state properties. A precise comparison between these and the molecular properties gave detailed insights into the exciton binding energies of these compounds, which are explained by means of a simple model considering the molecular packing and polarizabilities. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

[Effects of packaging forms on the stability of vitamin B1 and vitamin C in TPN admixtures].

PubMed

Hashimoto, Daisuke; Iwahara, Ryosei; Sato, Hideki

2010-12-01

In order to reduce a microbial contamination and needle stick injuries that are associated with a mixing procedure in home parentera nutrition(HPN), nutrition(TPN)solution bags pre-mixed with trace elements may be provided in a form of outer packaging. On the other hand, a packaging form used to enclose the TPN bag after admixture may significantly affect the stability of vitamins. With a focus on possible decrease in vitamin B1 and C content, we investigated the effects of the packaging form. As a result, the TPN bag, which is packed in a light-resistant outer wrap of oxygen-barrier film with an oxygen absorbent under reduced pressure, suppressed a decrease in vitamin content most. However, the decrease in vitamin C content was observed when there was a long time-lag between a preparation and a packaging. We thought it was desirable to pack the TPN bag promptly after the preparation.

System and Method for High-Speed Data Recording

NASA Technical Reports Server (NTRS)

Taveniku, Mikael B. (Inventor)

2017-01-01

A system and method for high speed data recording includes a control computer and a disk pack unit. The disk pack is provided within a shell that provides handling and protection for the disk packs. The disk pack unit provides cooling of the disks and connection for power and disk signaling. A standard connection is provided between the control computer and the disk pack unit. The disk pack units are self sufficient and able to connect to any computer. Multiple disk packs are connected simultaneously to the system, so that one disk pack can be active while one or more disk packs are inactive. To control for power surges, the power to each disk pack is controlled programmatically for the group of disks in a disk pack.

Solutions in radiology services management: a literature review*

PubMed Central

Pereira, Aline Garcia; Vergara, Lizandra Garcia Lupi; Merino, Eugenio Andrés Díaz; Wagner, Adriano

2015-01-01

Objective The present study was aimed at reviewing the literature to identify solutions for problems observed in radiology services. Materials and Methods Basic, qualitative, exploratory literature review at Scopus and SciELO databases, utilizing the Mendeley and Illustrator CC Adobe softwares. Results In the databases, 565 papers – 120 out of them, pdf free – were identified. Problems observed in the radiology sector are related to procedures scheduling, humanization, lack of training, poor knowledge and use of management techniques, and interaction with users. The design management provides the services with interesting solutions such as Benchmarking, CRM, Lean Approach, ServiceBlueprinting, continued education, among others. Conclusion Literature review is an important tool to identify problems and respective solutions. However, considering the small number of studies approaching management of radiology services, this is a great field of research for the development of deeper studies. PMID:26543281

Comparative analysis of tissue reactions to anesthetic solutions: histological analysis in subcutaneous tissue of rats.

PubMed Central

Ribeiro, Paulo Domingos; Sanches, Marcio Giampietro; Okamoto, Tetuo

2003-01-01

Postanesthetic pain is a relatively common complication after local anesthesia. This complication may be caused by the anesthetic technique or by the anesthetic solution used. Tissue reactions induced by the anesthetic solutions may be one of the factors resulting in pain after anesthesia. The objective of this study was to comparatively analyze tissue reactions induced by different anesthetic solutions in the subcutaneous tissue of rats. The following solutions were utilized: 2% lidocaine without vasoconstrictor; a 0.5% bupivacaine solution with 1:200,000 adrenaline; a 4% articaine solution and 2% mepivacaine, both with 1:100,000 adrenaline; and a 0.9% sodium chloride solution as a control. Sterilized absorbent paper cones packed inside polyethylene tubes were soaked in the solutions and implanted in the subcutaneous region. The sacrifice periods were 1, 2, 5, and 10 days after surgery. The specimens were prepared and stained with hematoxylin and eosin for histological analysis. The results showed that there is a difference in tissue irritability produced by the local anesthetic solutions. The results also showed that there is no relation between the concentration of the drug and the inflammatory intensity, that the mepivacaine and articaine solutions promoted less inflammatory reaction than the bupivacaine, and that the lidocaine solution produced the least intense inflammation. Images Figure 1 Figure 2 Figure 3 Figure 4 Figure 5 Figure 6 Figure 7 Figure 8 Figure 9 Figure 10 Figure 11 PMID:14959905

Verification of the proteus two-dimensional Navier-Stokes code for flat plate and pipe flows

NASA Technical Reports Server (NTRS)

Conley, Julianne M.; Zeman, Patrick L.

1991-01-01

The Proteus Navier-Stokes Code is evaluated for 2-D/axisymmetric, viscous, incompressible, internal, and external flows. The particular cases to be discussed are laminar and turbulent flows over a flat plate, laminar and turbulent developing pipe flows, and turbulent pipe flow with swirl. Results are compared with exact solutions, empirical correlations, and experimental data. A detailed description of the code set-up, including boundary conditions, initial conditions, grid size, and grid packing is given for each case.

Surfactant process for promoting gas hydrate formation and application of the same

DOEpatents

Rogers, Rudy E.; Zhong, Yu

2002-01-01

This invention relates to a method of storing gas using gas hydrates comprising forming gas hydrates in the presence of a water-surfactant solution that comprises water and surfactant. The addition of minor amounts of surfactant increases the gas hydrate formation rate, increases packing density of the solid hydrate mass and simplifies the formation-storage-decomposition process of gas hydrates. The minor amounts of surfactant also enhance the potential of gas hydrates for industrial storage applications.

CBS Genome Atlas Database: a dynamic storage for bioinformatic results and sequence data.

PubMed

Hallin, Peter F; Ussery, David W

2004-12-12

Currently, new bacterial genomes are being published on a monthly basis. With the growing amount of genome sequence data, there is a demand for a flexible and easy-to-maintain structure for storing sequence data and results from bioinformatic analysis. More than 150 sequenced bacterial genomes are now available, and comparisons of properties for taxonomically similar organisms are not readily available to many biologists. In addition to the most basic information, such as AT content, chromosome length, tRNA count and rRNA count, a large number of more complex calculations are needed to perform detailed comparative genomics. DNA structural calculations like curvature and stacking energy, DNA compositions like base skews, oligo skews and repeats at the local and global level are just a few of the analysis that are presented on the CBS Genome Atlas Web page. Complex analysis, changing methods and frequent addition of new models are factors that require a dynamic database layout. Using basic tools like the GNU Make system, csh, Perl and MySQL, we have created a flexible database environment for storing and maintaining such results for a collection of complete microbial genomes. Currently, these results counts to more than 220 pieces of information. The backbone of this solution consists of a program package written in Perl, which enables administrators to synchronize and update the database content. The MySQL database has been connected to the CBS web-server via PHP4, to present a dynamic web content for users outside the center. This solution is tightly fitted to existing server infrastructure and the solutions proposed here can perhaps serve as a template for other research groups to solve database issues. A web based user interface which is dynamically linked to the Genome Atlas Database can be accessed via www.cbs.dtu.dk/services/GenomeAtlas/. This paper has a supplemental information page which links to the examples presented: www.cbs.dtu.dk/services/GenomeAtlas/suppl/bioinfdatabase.

Effect of packing method on the randomness of disc packings

NASA Astrophysics Data System (ADS)

Zhang, Z. P.; Yu, A. B.; Oakeshott, R. B. S.

1996-06-01

The randomness of disc packings, generated by random sequential adsorption (RSA), random packing under gravity (RPG) and Mason packing (MP) which gives a packing density close to that of the RSA packing, has been analysed, based on the Delaunay tessellation, and is evaluated at two levels, i.e. the randomness at individual subunit level which relates to the construction of a triangle from a given edge length distribution and the randomness at network level which relates to the connection between triangles from a given triangle frequency distribution. The Delaunay tessellation itself is also analysed and its almost perfect randomness at the two levels is demonstrated, which verifies the proposed approach and provides a random reference system for the present analysis. It is found that (i) the construction of a triangle subunit is not random for the RSA, MP and RPG packings, with the degree of randomness decreasing from the RSA to MP and then to RPG packing; (ii) the connection of triangular subunits in the network is almost perfectly random for the RSA packing, acceptable for the MP packing and not good for the RPG packing. Packing method is an important factor governing the randomness of disc packings.

Particle packing from an earth science viewpoint

NASA Astrophysics Data System (ADS)

Rogers, C. D. F.; Dijkstra, T. A.; Smalley, I. J.

1994-04-01

Particle packings are relevant to many aspects of the Earth sciences, and there is a long history of the study of packings from an Earth science viewpoint. Packings have also been studied in connection with other subjects and disciplines. Allen (1982) produced a major review which provides a solid base for Earth science related studies. This review complements Allen's work and in particular focuses on advances in the study of random packings over the last ten years. Transitions from packing to packing may be as important as the packings themselves, and possibly easier to model. This paper places emphasis on certain neglected works, in particular Morrow and Graves (1969) and the packing transition envelope, Kahn (1956) and the measurement of packing parameters, Griffiths (1962) on packings in one-dimension, and Getis and Boots (1978) on packings in two dimensions. Certain packing problems are relevant to current areas of study including structure collapse in loess (hydroconsolidation), flowslides in very sensitive soils, wind erosion, jewel quality in opals and the structure and functions of sand dunes. The region where interparticle forces become active (particles < 200 μm) is considered and the implications for packing are examined.

Starbase Data Tables: An ASCII Relational Database for Unix

NASA Astrophysics Data System (ADS)

Roll, John

2011-11-01

Database management is an increasingly important part of astronomical data analysis. Astronomers need easy and convenient ways of storing, editing, filtering, and retrieving data about data. Commercial databases do not provide good solutions for many of the everyday and informal types of database access astronomers need. The Starbase database system with simple data file formatting rules and command line data operators has been created to answer this need. The system includes a complete set of relational and set operators, fast search/index and sorting operators, and many formatting and I/O operators. Special features are included to enhance the usefulness of the database when manipulating astronomical data. The software runs under UNIX, MSDOS and IRAF.

Aerodynamic Analyses and Database Development for Ares I Vehicle First Stage Separation

NASA Technical Reports Server (NTRS)

Pamadi, Bandu N.; Pei, Jing; Pinier, Jeremy T.; Holland, Scott D.; Covell, Peter F.; Klopfer, Goetz, H.

2012-01-01

This paper presents the aerodynamic analysis and database development for the first stage separation of the Ares I A106 Crew Launch Vehicle configuration. Separate databases were created for the first stage and upper stage. Each database consists of three components: isolated or free-stream coefficients, power-off proximity increments, and power-on proximity increments. The power-on database consists of three parts, all plumes firing at nominal conditions, the one booster deceleration motor out condition, and the one ullage settling motor out condition. The isolated and power-off incremental databases were developed using wind tunnel test data. The power-on proximity increments were developed using CFD solutions.

A complete history of everything

NASA Astrophysics Data System (ADS)

Lanclos, Kyle; Deich, William T. S.

2012-09-01

This paper discusses Lick Observatory's local solution for retaining a complete history of everything. Leveraging our existing deployment of a publish/subscribe communications model that is used to broadcast the state of all systems at Lick Observatory, a monitoring daemon runs on a dedicated server that subscribes to and records all published messages. Our success with this system is a testament to the power of simple, straightforward approaches to complex problems. The solution itself is written in Python, and the initial version required about a week of development time; the data are stored in PostgreSQL database tables using a distinctly simple schema. Over time, we addressed scaling issues as the data set grew, which involved reworking the PostgreSQL database schema on the back-end. We also duplicate the data in flat files to enable recovery or migration of the data from one server to another. This paper will cover both the initial design as well as the solutions to the subsequent deployment issues, the trade-offs that motivated those choices, and the integration of this history database with existing client applications.

Young adult smokers' perceptions of plain packs, numbered packs and pack inserts in Turkey: a focus group study.

PubMed

Mucan, Burcu; Moodie, Crawford

2017-11-09

The Turkish Government's 'National Tobacco Control Program 2015-2018' included plans to introduce plain packaging and also a ban on brand names on cigarette packs, allowing only assigned numbers on packs. We explored perceptions of these proposed measures, and also pack inserts with cessation messages, another novel way of using the packaging to communicate with consumers. Eight focus groups were conducted with 47 young adult smokers in Manisa and Kutahya (Turkey) in December 2016. Participants were shown three straight-edged plain cigarette packs, as required in Australia, and then three bevelled-edged plain packs, as permitted in the UK. They were then shown plain packs with numbers rather than brand names, and finally three pack inserts with messages encouraging quitting or offering tips on how to do so. Participants were asked about their perceptions of each. Plain packs were considered unappealing and off-putting, although the bevelled-edged packs were viewed more favourably than the straight-edged packs. Numbered packs were thought by some to diminish the appeal created by the brand name and potentially decrease interest among never smokers and newer smokers. Pack inserts were thought to have less of an impact than the on-pack warnings, but could potentially help discourage initiation and encourage cessation. That bevelled-edged plain packs were perceived more positively than straight-edged plain packs is relevant to countries planning to introduce plain packaging. The study provides a first insight into smokers' perceptions of a ban on brand names, which was perceived to reduce appeal among young people. © Article author(s) (or their employer(s) unless otherwise stated in the text of the article) 2017. All rights reserved. No commercial use is permitted unless otherwise expressly granted.

Tuning jammed frictionless disk packings from isostatic to hyperstatic.

PubMed

Schreck, Carl F; O'Hern, Corey S; Silbert, Leonardo E

2011-07-01

We perform extensive computational studies of two-dimensional static bidisperse disk packings using two distinct packing-generation protocols. The first involves thermally quenching equilibrated liquid configurations to zero temperature over a range of thermal quench rates r and initial packing fractions followed by compression and decompression in small steps to reach packing fractions φ(J) at jamming onset. For the second, we seed the system with initial configurations that promote micro- and macrophase-separated packings followed by compression and decompression to φ(J). Using these protocols, we generate more than 10(4) static packings over a wide range of packing fraction, contact number, and compositional and positional order. We find that disordered, isostatic packings exist over a finite range of packing fractions in the large-system limit. In agreement with previous calculations, the most dilute mechanically stable packings with φ min ≈ 0.84 are obtained for r > r*, where r* is the rate above which φ(J) is insensitive to rate. We further compare the structural and mechanical properties of isostatic versus hyperstatic packings. The structural characterizations include the contact number, several order parameters, and mixing ratios of the large and small particles. We find that the isostatic packings are positionally and compositionally disordered (with only small changes in a number of order parameters), whereas bond-orientational and compositional order increase strongly with contact number for hyperstatic packings. In addition, we calculate the static shear modulus and normal mode frequencies (in the harmonic approximation) of the static packings to understand the extent to which the mechanical properties of disordered, isostatic packings differ from partially ordered packings. We find that the mechanical properties of the packings change continuously as the contact number increases from isostatic to hyperstatic.

The impact of structural packaging design on young adult smokers' perceptions of tobacco products.

PubMed

Borland, Ron; Savvas, Steven; Sharkie, Fiona; Moore, Karen

2013-03-01

To examine the extent that novel cigarette pack shapes and openings have on smokers' perceptions of those packs and the cigarettes contained within. Using a web-based survey, 160 young adult ever-smokers (18-29 years) were shown computer images of plain packaged cigarette packs in five different shapes. This was followed by packs illustrating five different methods of opening. Brand (prestige or budget) and size of the health warnings (30% or 70% warning size) were between-subject conditions. Respondents ranked packs on attractiveness, perceived quality of the cigarettes contained within and extent that the pack distracted from health warnings. Ratings of attractiveness and perceived quality were significantly associated in both substudies, but tendency to distract from warnings was more independent. Significant differences were found between the pack shapes on attractiveness, perceived quality and distraction from warnings. Standard, 2×10 and 4×5 packs were ranked less attractive than Bevelled and Rounded packs. 2×10 and 4×5 packs were also perceived as lower quality than Bevelled and Rounded packs. The Standard pack was less distracting to health warnings than all other shapes except the 2×10 pack. Pack openings were perceived as different on quality of cigarettes contained and extent of distraction to warnings. The Standard Flip-top was rated significantly lower in distracting from warnings than all other openings. Pack shape and pack opening affect ever-smokers' perceptions of the packs and the cigarettes they contain. This means that they have the potential to create appeal and differentiate products and thus should be regulated.

Solutions for medical databases optimal exploitation.

PubMed

Branescu, I; Purcarea, V L; Dobrescu, R

2014-03-15

The paper discusses the methods to apply OLAP techniques for multidimensional databases that leverage the existing, performance-enhancing technique, known as practical pre-aggregation, by making this technique relevant to a much wider range of medical applications, as a logistic support to the data warehousing techniques. The transformations have practically low computational complexity and they may be implemented using standard relational database technology. The paper also describes how to integrate the transformed hierarchies in current OLAP systems, transparently to the user and proposes a flexible, "multimodel" federated system for extending OLAP querying to external object databases.

Benchmarking distributed data warehouse solutions for storing genomic variant information

PubMed Central

Wiewiórka, Marek S.; Wysakowicz, Dawid P.; Okoniewski, Michał J.

2017-01-01

Abstract Genomic-based personalized medicine encompasses storing, analysing and interpreting genomic variants as its central issues. At a time when thousands of patientss sequenced exomes and genomes are becoming available, there is a growing need for efficient database storage and querying. The answer could be the application of modern distributed storage systems and query engines. However, the application of large genomic variant databases to this problem has not been sufficiently far explored so far in the literature. To investigate the effectiveness of modern columnar storage [column-oriented Database Management System (DBMS)] and query engines, we have developed a prototypic genomic variant data warehouse, populated with large generated content of genomic variants and phenotypic data. Next, we have benchmarked performance of a number of combinations of distributed storages and query engines on a set of SQL queries that address biological questions essential for both research and medical applications. In addition, a non-distributed, analytical database (MonetDB) has been used as a baseline. Comparison of query execution times confirms that distributed data warehousing solutions outperform classic relational DBMSs. Moreover, pre-aggregation and further denormalization of data, which reduce the number of distributed join operations, significantly improve query performance by several orders of magnitude. Most of distributed back-ends offer a good performance for complex analytical queries, while the Optimized Row Columnar (ORC) format paired with Presto and Parquet with Spark 2 query engines provide, on average, the lowest execution times. Apache Kudu on the other hand, is the only solution that guarantees a sub-second performance for simple genome range queries returning a small subset of data, where low-latency response is expected, while still offering decent performance for running analytical queries. In summary, research and clinical applications that require the storage and analysis of variants from thousands of samples can benefit from the scalability and performance of distributed data warehouse solutions. Database URL: https://github.com/ZSI-Bio/variantsdwh PMID:29220442

Human immunodeficiency virus prevalence, incidence, and residual transmission risk in first-time and repeat blood donations in Zimbabwe: implications on blood safety.

PubMed

Mapako, Tonderai; Mvere, David A; Chitiyo, McLeod E; Rusakaniko, Simbarashe; Postma, Maarten J; van Hulst, Marinus

2013-10-01

National Blood Service Zimbabwe human immunodeficiency virus (HIV) risk management strategy includes screening and discarding of first-time donations, which are collected in blood packs without an anticoagulant (dry pack). To evaluate the impact of discarding first-time donations on blood safety the HIV prevalence, incidence, and residual risk in first-time and repeat donations (wet packs) were compared. Donor data from 2002 to 2010 were retrieved from a centralized national electronic donor database and retrospectively analyzed. Chi-square test was used to compare HIV prevalence with relative risk (RR), and the RR point estimates and 95% confidence interval (CI) are reported. Trend analysis was done using Cochran-Armitage trend test. HIV residual risk estimates were determined using published residual risk estimation models. Over the 9 years the overall HIV prevalence estimates are 1.29% (n = 116,058) and 0.42% (n = 434,695) for first-time and repeat donations, respectively. The overall RR was 3.1 (95% CI, 2.9-3.3; p < 0.0001). The overall mean residual transmission risk of HIV window phase donations in first-time was 1:7384 (range, 1:11,308-1:5356) and in repeat donors it was 1:5496 (range, 1:9943-1:3347). The significantly high HIV prevalence estimates recorded in first-time over repeat donations is indicative of the effectiveness of the HIV risk management strategy. However, comparable residual transmission risk estimates in first-time and repeat donors point to the need to further review the risk management strategies. Given the potential wastage of valuable resources, future studies should focus on the cost-effectiveness and utility of screening and discarding first-time donations. © 2013 American Association of Blood Banks.

A nutrient profiling assessment of packaged foods using two star-based front-of-pack labels.

PubMed

Carrad, Amy M; Louie, Jimmy Chun Yu; Yeatman, Heather R; Dunford, Elizabeth K; Neal, Bruce C; Flood, Victoria M

2016-08-01

To compare two front-of-pack nutrition labelling systems for the assessment of packaged foods and drinks with Australian Dietary Guidelines. A cross-sectional nutrient profiling assessment. Food and drink products (n 20 225) were categorised into scoring levels using criteria for the Institute of Medicine (IOM) three-star system and the five-star Australian Health Star Rating (HSR). The effectiveness of these systems to categorise foods in accordance with Australian Dietary Guidelines was explored. The study was conducted in Australia, using a comprehensive food database. Packaged food and drink products (n 20 225) available in Australia. Using the IOM three-star system, the majority (55 %) of products scored the minimum 0 points and 25·5 % scored the maximum 3 points. Using HSR criteria, the greatest proportion of products (15·2 %) scored three-and-a-half stars from a possible five and 12·5 % received the lowest rating of a half-star. Very few products (4·1 %) scored five stars. Products considered core foods and drinks in Australian Dietary Guidelines received higher scores than discretionary foods in all food categories for both labelling systems (all P<0·05; Mann-Whitney U test), with the exception of fish products using IOM three-star criteria (P=0·603). The largest discrepancies in median score between the two systems were for the food categories edible oils, convenience foods and dairy. Both the IOM three-star and Australian HSR front-of-pack labelling systems rated packaged foods and drinks broadly in line with Australian Dietary Guidelines by assigning core foods higher ratings and discretionary foods lower ratings.

[Research progress on the management of no packing after septoplasty].

PubMed

Lu, Sheng; Zhang, Longcheng; Li, Jieen

2016-01-01

Packing the nose after septoplasty is common practice. The use of postoperative packing has been proposed to reduce the dead space between the subperichondrial flaps and minimize postoperative complications such as hemorrhage, septal hematoma, and formation of synechiae. Additionally, postoperative packing is thought to stabilize the remaining cartilaginous septum and minimize persistence or recurrence of septal deviation. Despite these theoretic advantages, evidence to support the use of postoperative packing is lacking. Additionally, nasal packing is not an innocuous procedure. The use of nasal packing actually cause these complications such as postop- erative pain, mucosal injury, bleeding, worsening of breathing due to sleep disorders, and postoperative infections. Routine use of anterior nasal packing after septoplasty should be challenged for not presenting proven benefit. As alternatives to traditional packing, septal suturing, septal stapler and fibrin glue have been used recently. The purpose of this article is to summarize the progress of traditional packing to no packing after septoplasty.

Cigarette pack design and adolescent smoking susceptibility: a cross-sectional survey

PubMed Central

Ford, Allison; MacKintosh, Anne Marie; Moodie, Crawford; Richardson, Sol; Hastings, Gerard

2013-01-01

Objectives To compare adolescents’ responses to three different styles of cigarette packaging: novelty (branded packs designed with a distinctive shape, opening style or bright colour), regular (branded pack with no special design features) and plain (brown pack with a standard shape and opening and all branding removed, aside from brand name). Design Cross-sectional in-home survey. Setting UK. Participants Random location quota sample of 1025 never smokers aged 11–16 years. Main outcome measures Susceptibility to smoking and composite measures of pack appraisal and pack receptivity derived from 11 survey items. Results Mean responses to the three pack types were negative for all survey items. However, ‘novelty’ packs were rated significantly less negatively than the ‘regular’ pack on most items, and the novelty and regular packs were rated less negatively than the ‘plain’ pack. For the novelty packs, logistic regressions, controlling for factors known to influence youth smoking, showed that susceptibility was associated with positive appraisal and also receptivity. For example, those receptive to the innovative Silk Cut Superslims pack were more than four times as likely to be susceptible to smoking than those not receptive to this pack (AOR=4.42, 95% CI 2.50 to 7.81, p<0.001). For the regular pack, an association was found between positive appraisal and susceptibility but not with receptivity and susceptibility. There was no association with pack appraisal or receptivity for the plain pack. Conclusions Pack structure (shape and opening style) and colour are independently associated, not just with appreciation of and receptivity to the pack, but also with susceptibility to smoke. In other words, those who think most highly of novelty cigarette packaging are also the ones who indicate that they are most likely to go on to smoke. Plain packaging, in contrast, was found to directly reduce the appeal of smoking to adolescents. PMID:24056481

Implementation of an open adoption research data management system for clinical studies.

PubMed

Müller, Jan; Heiss, Kirsten Ingmar; Oberhoffer, Renate

2017-07-06

Research institutions need to manage multiple studies with individual data sets, processing rules and different permissions. So far, there is no standard technology that provides an easy to use environment to create databases and user interfaces for clinical trials or research studies. Therefore various software solutions are being used-from custom software, explicitly designed for a specific study, to cost intensive commercial Clinical Trial Management Systems (CTMS) up to very basic approaches with self-designed Microsoft ® databases. The technology applied to conduct those studies varies tremendously from study to study, making it difficult to evaluate data across various studies (meta-analysis) and keeping a defined level of quality in database design, data processing, displaying and exporting. Furthermore, the systems being used to collect study data are often operated redundantly to systems used in patient care. As a consequence the data collection in studies is inefficient and data quality may suffer from unsynchronized datasets, non-normalized database scenarios and manually executed data transfers. With OpenCampus Research we implemented an open adoption software (OAS) solution on an open source basis, which provides a standard environment for state-of-the-art research database management at low cost.

No programming required. Mobile PCs can help physicians work more efficiently, especially when the application is designed to fit the practice.

PubMed

Campbell, J

2000-09-01

The Jacobson Medical Group San Antonio Jacobson Medical Group (JMG) needed a way to effectively and efficiently coordinate referral information between their hospitalist physicians and specialists. JMG decided to replace paper-based binders with something more convenient and easily updated. The organization chose to implement a mobile solution that would provide its physicians with convenient access to a database of information via a hand-held computer. The hand-held solution provides physicians with full demographic profiles of primary care givers for each area where the group operates. The database includes multiple profiles based on different healthcare plans, along with details about preferred and authorized specialists. JMG adopted a user-friendly solution that the hospitalists and specialists would embrace and actually use.

7 CFR 51.310 - Packing requirements.

Code of Federal Regulations, 2011 CFR

2011-01-01

... STANDARDS) United States Standards for Grades of Apples Packing Requirements § 51.310 Packing requirements. (a) Apples tray packed or cell packed in cartons shall be arranged according to approved and... that apples are of the proper size for molds or cell compartments in which they are packed, and that...

7 CFR 51.310 - Packing requirements.

Code of Federal Regulations, 2012 CFR

2012-01-01

... STANDARDS) United States Standards for Grades of Apples Packing Requirements § 51.310 Packing requirements. (a) Apples tray packed or cell packed in cartons shall be arranged according to approved and... that apples are of the proper size for molds or cell compartments in which they are packed, and that...

Informatics and data quality at collaborative multicenter Breast and Colon Cancer Family Registries.

PubMed

McGarvey, Peter B; Ladwa, Sweta; Oberti, Mauricio; Dragomir, Anca Dana; Hedlund, Erin K; Tanenbaum, David Michael; Suzek, Baris E; Madhavan, Subha

2012-06-01

Quality control and harmonization of data is a vital and challenging undertaking for any successful data coordination center and a responsibility shared between the multiple sites that produce, integrate, and utilize the data. Here we describe a coordinated effort between scientists and data managers in the Cancer Family Registries to implement a data governance infrastructure consisting of both organizational and technical solutions. The technical solution uses a rule-based validation system that facilitates error detection and correction for data centers submitting data to a central informatics database. Validation rules comprise both standard checks on allowable values and a crosscheck of related database elements for logical and scientific consistency. Evaluation over a 2-year timeframe showed a significant decrease in the number of errors in the database and a concurrent increase in data consistency and accuracy.

Informatics and data quality at collaborative multicenter Breast and Colon Cancer Family Registries

PubMed Central

McGarvey, Peter B; Ladwa, Sweta; Oberti, Mauricio; Dragomir, Anca Dana; Hedlund, Erin K; Tanenbaum, David Michael; Suzek, Baris E

2012-01-01

Quality control and harmonization of data is a vital and challenging undertaking for any successful data coordination center and a responsibility shared between the multiple sites that produce, integrate, and utilize the data. Here we describe a coordinated effort between scientists and data managers in the Cancer Family Registries to implement a data governance infrastructure consisting of both organizational and technical solutions. The technical solution uses a rule-based validation system that facilitates error detection and correction for data centers submitting data to a central informatics database. Validation rules comprise both standard checks on allowable values and a crosscheck of related database elements for logical and scientific consistency. Evaluation over a 2-year timeframe showed a significant decrease in the number of errors in the database and a concurrent increase in data consistency and accuracy. PMID:22323393

The U.S. Dairy Forage Research Center (USDFRC) condensed tannin NMR database

USDA-ARS?s Scientific Manuscript database

This perspective describes a solution-state NMR database for flavan-3-ol monomers and condensed tannin dimers through tetramers obtained from the literature to 2015, containing data searchable by structure, molecular formula, degrees of polymerization, 1H and 13C chemical shifts of the condensed tan...

Teaching Database Design with Constraint-Based Tutors

ERIC Educational Resources Information Center

Mitrovic, Antonija; Suraweera, Pramuditha

2016-01-01

Design tasks are difficult to teach, due to large, unstructured solution spaces, underspecified problems, non-existent problem solving algorithms and stopping criteria. In this paper, we comment on our approach to develop KERMIT, a constraint-based tutor that taught database design. In later work, we re-implemented KERMIT as EER-Tutor, and…

Access to DNA and protein databases on the Internet.

PubMed

Harper, R

1994-02-01

During the past year, the number of biological databases that can be queried via Internet has dramatically increased. This increase has resulted from the introduction of networking tools, such as Gopher and WAIS, that make it easy for research workers to index databases and make them available for on-line browsing. Biocomputing in the nineties will see the advent of more client/server options for the solution of problems in bioinformatics.

Molecular imprinted opal closest-packing photonic crystals for the detection of trace 17β-estradiol in aqueous solution.

PubMed

Sai, Na; Wu, Yuntang; Sun, Zhong; Huang, Guowei; Gao, Zhixian

2015-11-01

A novel opal closest-packing (OCP) photonic crystal (PC) was prepared by the introduction of molecular imprinting technique into the OCP PC. This molecular imprinted (MI)-OCP PC was fabricated via a vertical convective self-assembly method using 17β-estradiol (E2) as template molecules for monitoring E2 in aqueous solution. Morphology characterization showed that the MI-OCP PC possessed a highly ordered three-dimensional (3D) periodically-ordered structure, showing the desired structural color. The proposed PC material displayed a reduced reflection intensity when detecting E2 in water environment, because the molecular imprinting recognition events make the optical characteristics of PC change. The Bragg diffraction intensity decreased by 19.864 a.u. with the increase of E2 concentration from 1.5 ng mL(-1) to 364.5 ng mL(-1) within 6 min, whereas there were no obvious peak intensity changes for estriol, estrone, cholesterol, testosterone and diethylstilbestrol, indicating that the MI-OCP PC had selective and rapid response for E2 molecules. The adsorption results showed that the OCP structure and homogeneous layers were created in the MI-OCP PC with higher adsorption capacity. Thus, it was learned the MI-OCP PC is a simple prepared, sensitive, selective, and easy operative material, which shows promising use in routine supervision for residue detection in food and environment. Copyright © 2015 Elsevier B.V. All rights reserved.

Layering, melting, and recrystallization of a close-packed micellar crystal under steady and large-amplitude oscillatory shear flows

DOE Office of Scientific and Technical Information (OSTI.GOV)

López-Barrón, Carlos R., E-mail: carlos.r.lopez-barron@exxonmobil.com; Wagner, Norman J.; Porcar, Lionel

2015-05-15

The rheology and three-dimensional microstructure of a concentrated viscoelastic solution of the triblock copolymer poly(ethylene oxide){sub 106}-poly(propylene oxide){sub 68}-poly(ethylene oxide){sub 106} (Pluronic F127) in the protic ionic liquid ethylammonium nitrate are measured by small angle neutron scattering (SANS) under flow in three orthogonal planes. This solution's shear-thinning viscosity is due to the formation of two-dimensional hexagonal close-packed (HCP) sliding layer structure. Shear-melting of the crystalline structure is observed without disruption of the self-assembled micelles, resulting in a change in flow properties. Spatially resolved measurements in the 1–2 plane reveal that both shear-melting and sliding are not uniform across the Couettemore » gap. Melting and recrystallization of the HCP layers occur cyclically during a single large amplitude oscillatory shear (LAOS) cycle, in agreement with the “stick-slip” flow mechanism proposed by Hamley et al. [Phys. Rev. E 58, 7620–7628 (1998)]. Analysis of 3D “structural” Lissajous curves show that the cyclic melting and sliding are direct functions of the strain rate amplitude and show perfect correlation with the cyclic stress response during LAOS. Both viscosity and structural order obey the Delaware–Rutgers rule. Combining rheology with in situ spatiotemporally resolved SANS is demonstrated to elucidate the structural origins of the nonlinear rheology of complex fluids.« less

Effects of cross-linking on partitioning of nanoparticles into a polymer brush: Coarse-grained simulations test simple approximate theories

NASA Astrophysics Data System (ADS)

Ozmaian, Masoumeh; Jasnow, David; Eskandari Nasrabad, Afshin; Zilman, Anton; Coalson, Rob D.

2018-01-01

The effect of cohesive contacts or, equivalently, dynamical cross-linking on the equilibrium morphology of a polymer brush infiltrated by nanoparticles that are attracted to the polymer strands is studied for plane-grafted brushes using coarse-grained molecular dynamics and approximate statistical mechanical models. In particular, the Alexander-de Gennes (AdG) and Strong Stretching Theory (SST) mean-field theory (MFT) models are considered. It is found that for values of the MFT cross-link strength interaction parameter beyond a certain threshold, both AdG and SST models predict that the polymer brush will be in a compact state of nearly uniform density packed next to the grafting surface over a wide range of solution phase nanoparticle concentrations. Coarse grained molecular dynamics simulations confirm this prediction, for both small nanoparticles (nanoparticle volume = monomer volume) and large nanoparticles (nanoparticle volume = 27 × monomer volume). Simulation results for these cross-linked systems are compared with analogous results for systems with no cross-linking. At the same solution phase nanoparticle concentration, strong cross-linking results in additional compression of the brush relative to the non-crosslinked analog and, at all but the lowest concentrations, to a lesser degree of infiltration by nanoparticles. For large nanoparticles, the monomer density profiles show clear oscillations moving outwards from the grafting surface, corresponding to a degree of layering of the absorbed nanoparticles in the brush as they pack against the grafting surface.

Multidose Preservative Free Eyedrops by Selective Removal of Benzalkonium Chloride from Ocular Formulations.

PubMed

Hsu, Kuan-Hui; Gupta, Karishma; Nayaka, Harish; Donthi, Aashrit; Kaul, Siddarth; Chauhan, Anuj

2017-12-01

About 70% of eye drops contain benzalkonium chloride (BAK) to maintain sterility. BAK is an effective preservative but it can cause irritation and toxicity. We propose to mitigate ocular toxicity without compromising sterility by incorporating a filter into an eye drop bottle to selectively remove BAK during the process of drop instillation. The filter is a packed bed of particles made from poly(2-hydroxyethyl methacrylate) (pHEMA), which is a common ophthalmic material. We showed that pHEMA particle prepared by using ethoxylated trimethylolpropane triacrylate as crosslinker can be incorporated into a modified eyedrop bottle tip to selectively remove the preservative as the formulation is squeezed out of the bottle. Hydraulic permeability of the plug is measured to determine the resistance to eye drop squeezing, and % removal of BAK and drugs are determined. The modified tip has a hydraulic permeability of about 2 Darcy, which allows eyedrops formulations to flow through without excessive resistance. The tip is designed such that the patients can create an eyedrop of solution of 1-10 cP viscosity in 4 s with a nominal pressure. During this short contact time, the packed particles removed nearly 100% of benzalkonium chloride (BAK) from a 15 mL, 0.012% BAK solution but have only minimal impact on the concentration of contained active components. Our novel design can eliminate the preservative induced toxicity from eye drops thereby impacting hundreds of millions of patients with chronic ophthalmic diseases like glaucoma and dry eyes.

Formation of silicon nanowire packed films from metallurgical-grade silicon powder using a two-step metal-assisted chemical etching method.

PubMed

Ouertani, Rachid; Hamdi, Abderrahmen; Amri, Chohdi; Khalifa, Marouan; Ezzaouia, Hatem

2014-01-01

In this work, we use a two-step metal-assisted chemical etching method to produce films of silicon nanowires shaped in micrograins from metallurgical-grade polycrystalline silicon powder. The first step is an electroless plating process where the powder was dipped for few minutes in an aqueous solution of silver nitrite and hydrofluoric acid to permit Ag plating of the Si micrograins. During the second step, corresponding to silicon dissolution, we add a small quantity of hydrogen peroxide to the plating solution and we leave the samples to be etched for three various duration (30, 60, and 90 min). We try elucidating the mechanisms leading to the formation of silver clusters and silicon nanowires obtained at the end of the silver plating step and the silver-assisted silicon dissolution step, respectively. Scanning electron microscopy (SEM) micrographs revealed that the processed Si micrograins were covered with densely packed films of self-organized silicon nanowires. Some of these nanowires stand vertically, and some others tilt to the silicon micrograin facets. The thickness of the nanowire films increases from 0.2 to 10 μm with increasing etching time. Based on SEM characterizations, laser scattering estimations, X-ray diffraction (XRD) patterns, and Raman spectroscopy, we present a correlative study dealing with the effect of the silver-assisted etching process on the morphological and structural properties of the processed silicon nanowire films.

Formation of silicon nanowire packed films from metallurgical-grade silicon powder using a two-step metal-assisted chemical etching method

PubMed Central

2014-01-01

In this work, we use a two-step metal-assisted chemical etching method to produce films of silicon nanowires shaped in micrograins from metallurgical-grade polycrystalline silicon powder. The first step is an electroless plating process where the powder was dipped for few minutes in an aqueous solution of silver nitrite and hydrofluoric acid to permit Ag plating of the Si micrograins. During the second step, corresponding to silicon dissolution, we add a small quantity of hydrogen peroxide to the plating solution and we leave the samples to be etched for three various duration (30, 60, and 90 min). We try elucidating the mechanisms leading to the formation of silver clusters and silicon nanowires obtained at the end of the silver plating step and the silver-assisted silicon dissolution step, respectively. Scanning electron microscopy (SEM) micrographs revealed that the processed Si micrograins were covered with densely packed films of self-organized silicon nanowires. Some of these nanowires stand vertically, and some others tilt to the silicon micrograin facets. The thickness of the nanowire films increases from 0.2 to 10 μm with increasing etching time. Based on SEM characterizations, laser scattering estimations, X-ray diffraction (XRD) patterns, and Raman spectroscopy, we present a correlative study dealing with the effect of the silver-assisted etching process on the morphological and structural properties of the processed silicon nanowire films. PMID:25349554

Application of proteotyping Strain Solution™ ver. 2 software and theoretically calculated mass database in MALDI-TOF MS typing of Salmonella serotype.

PubMed

Ojima-Kato, Teruyo; Yamamoto, Naomi; Nagai, Satomi; Shima, Keisuke; Akiyama, Yumi; Ota, Junji; Tamura, Hiroto

2017-12-01

Matrix-assisted laser desorption/ionization time-of-flight mass spectrometry (MALDI-TOF MS)-based microbial identification is a popular analytical method. Strain Solution proteotyping software available for MALDI-TOF MS has great potential for the precise and detailed discrimination of microorganisms at serotype- or strain-level, beyond the conventional mass fingerprinting approaches. Here, we constructed a theoretically calculated mass database of Salmonella enterica subspecies enterica consisting of 12 biomarker proteins: ribosomal proteins S8, L15, L17, L21, L25, and S7, Mn-cofactor-containing superoxide dismutase (SodA), peptidyl-prolyl cis-trans isomerase C (PPIase C), and protein Gns, and uncharacterized proteins YibT, YaiA, and YciF, that can allow serotyping of Salmonella. Strain Solution ver. 2 software with the novel database constructed in this study demonstrated that 109 strains (94%), including the major outbreak-associated serotypes, Enteritidis, Typhimurium, and Infantis, could be correctly identified from others by colony-directed MALDI-TOF MS using 116 strains belonging to 23 kinds of typed and untyped serotypes of S. enterica from culture collections, patients, and foods. We conclude that Strain Solution ver. 2 software integrated with the accurate mass database will be useful for the bacterial proteotyping by MALDI-TOF MS-based microbial classification in the clinical and food safety fields.

An evaporation model of multicomponent solution drops

NASA Astrophysics Data System (ADS)

Sartori, Silvana; Liñán, Amable; Lasheras, Juan C.

2010-11-01

Solutions of polymers are widely used in the pharmaceutical industry as tablets coatings. These allow controlling the rate at which the drug is delivered, taste or appearance. The coating is performed by spraying and drying the tablets at moderate temperatures. The wetting of the coating solution on the pill's surface depends on the droplet Webber and Re numbers, angle of impact and on the rheological properties of the droplet. We present a model for the evaporation of multicomponent solutions droplets in a hot air environment with temperatures substantially lower than the boiling temperature of the solvent. As the liquid vaporizes from the surface the fluid in the drop increases in concentration, until reaching its saturation point. After saturation, precipitation occurs uniformly within the drop. As the surface regresses, a compacting front formed by the precipitate at its maximum packing density advances into the drop, while the solute continues precipitating uniformly. This porous shell grows fast due to the double effect of surface regression and precipitation. The evaporation rate is determined by the rates at which heat is transported to the droplet surface and at which liquid vapor diffuses away from it. When the drop is fully compacted, the evaporation is drastically reduced.

Oxygen supersaturated fluid using fine micro/nanobubbles

PubMed Central

Matsuki, Noriaki; Ishikawa, Takuji; Ichiba, Shingo; Shiba, Naoki; Ujike, Yoshihito; Yamaguchi, Takami

2014-01-01

Microbubbles show peculiar properties, such as shrinking collapse, long lifetime, high gas solubility, negative electric charge, and free radical production. Fluids supersaturated with various gases can be easily generated using microbubbles. Oxygen microbubble fluid can be very useful for oxygen delivery to hypoxic tissues. However, there have been no reports of comparative investigations into adding fluids containing oxygen fine micro/nanobubbles (OFM-NBs) to common infusion solutions in daily medical care. In this study, it was demonstrated that OFMNBs can generate oxygen-supersaturated fluids, and they may be sufficiently small to infuse safely into blood vessels. It was found that normal saline solution is preferable for generating an oxygen-rich infusion fluid, which is best administered as a 30-minute intravenous infusion. It was also concluded that dextran solution is suitable for drug delivery substances packing oxygen gas over a 1-hour intravenous infusion. In addition, normal saline solution containing OFMNBs was effective for improving blood oxygenation. Thus, the use of OFMNB-containing fluids is a potentially effective novel method for improving blood oxygenation in cases involving hypoxia, ischemic diseases, infection control, and anticancer chemoradiation therapies. PMID:25285003

Oxygen supersaturated fluid using fine micro/nanobubbles.

PubMed

Matsuki, Noriaki; Ishikawa, Takuji; Ichiba, Shingo; Shiba, Naoki; Ujike, Yoshihito; Yamaguchi, Takami

2014-01-01

Microbubbles show peculiar properties, such as shrinking collapse, long lifetime, high gas solubility, negative electric charge, and free radical production. Fluids supersaturated with various gases can be easily generated using microbubbles. Oxygen microbubble fluid can be very useful for oxygen delivery to hypoxic tissues. However, there have been no reports of comparative investigations into adding fluids containing oxygen fine micro/nanobubbles (OFM-NBs) to common infusion solutions in daily medical care. In this study, it was demonstrated that OFMNBs can generate oxygen-supersaturated fluids, and they may be sufficiently small to infuse safely into blood vessels. It was found that normal saline solution is preferable for generating an oxygen-rich infusion fluid, which is best administered as a 30-minute intravenous infusion. It was also concluded that dextran solution is suitable for drug delivery substances packing oxygen gas over a 1-hour intravenous infusion. In addition, normal saline solution containing OFMNBs was effective for improving blood oxygenation. Thus, the use of OFMNB-containing fluids is a potentially effective novel method for improving blood oxygenation in cases involving hypoxia, ischemic diseases, infection control, and anticancer chemoradiation therapies.

Microscopic mechanism of nanocrystal formation from solution by cluster aggregation and coalescence

PubMed Central

Hassan, Sergio A.

2011-01-01

Solute-cluster aggregation and particle fusion have recently been suggested as alternative routes to the classical mechanism of nucleation from solution. The role of both processes in the crystallization of an aqueous electrolyte under controlled salt addition is here elucidated by molecular dynamics simulation. The time scale of the simulation allows direct observation of the entire crystallization pathway, from early events in the prenucleation stage to the formation of a nanocrystal in equilibrium with concentrated solution. The precursor originates in a small amorphous aggregate stabilized by hydration forces. The core of the nucleus becomes crystalline over time and grows by coalescence of the amorphous phase deposited at the surface. Imperfections of ion packing during coalescence promote growth of two conjoint crystallites. A parameter of order and calculated cohesive energies reflect the increasing crystalline order and stress relief at the grain boundary. Cluster aggregation plays a major role both in the formation of the nucleus and in the early stages of postnucleation growth. The mechanism identified shares common features with nucleation of solids from the melt and of liquid droplets from the vapor. PMID:21428633

Comparison of the biological NH3 removal characteristics among four inorganic packing materials.

PubMed

Hirai, M; Kamamoto, M; Yani, M; Shoda, M

2001-01-01

Four inorganic packing materials were evaluated in terms of their availability as a packing material of a packed tower deodorization apparatus (biofilter) from the viewpoints of biological NH3 removal characteristics and some physical properties. Porous ceramics (A), calcinated cristobalite (B), calcinated and formed obsidian (C), granulated and calculated soil (D) were used. The superiority of these packing materials determined based on the values of non-biological removal per unit weight or unit volume of packing material, complete removal capacity of NH3 per unit weight of packing material per day or unit volume of packing material per day and pressure drop of the packed bed was in the order of A approximately = C > B > or = D. Packing materials A and C with high porosity, maximum water content, and suitable mean pore diameter showed excellent removal capacity.

How does increasingly plainer cigarette packaging influence adult smokers’ perceptions about brand image? An experimental study

PubMed Central

Wakefield, M A; Germain, D; Durkin, S J

2008-01-01

Background: Cigarette packaging is a key marketing strategy for promoting brand image. Plain packaging has been proposed to limit brand image, but tobacco companies would resist removal of branding design elements. Method: A 3 (brand types) × 4 (degree of plain packaging) between-subject experimental design was used, using an internet online method, to expose 813 adult Australian smokers to one randomly selected cigarette pack, after which respondents completed ratings of the pack. Results: Compared with current cigarette packs with full branding, cigarette packs that displayed progressively fewer branding design elements were perceived increasingly unfavourably in terms of smokers’ appraisals of the packs, the smokers who might smoke such packs, and the inferred experience of smoking a cigarette from these packs. For example, cardboard brown packs with the number of enclosed cigarettes displayed on the front of the pack and featuring only the brand name in small standard font at the bottom of the pack face were rated as significantly less attractive and popular than original branded packs. Smokers of these plain packs were rated as significantly less trendy/stylish, less sociable/outgoing and less mature than smokers of the original pack. Compared with original packs, smokers inferred that cigarettes from these plain packs would be less rich in tobacco, less satisfying and of lower quality tobacco. Conclusion: Plain packaging policies that remove most brand design elements are likely to be most successful in removing cigarette brand image associations. PMID:18827035

How does increasingly plainer cigarette packaging influence adult smokers' perceptions about brand image? An experimental study.

PubMed

Wakefield, M A; Germain, D; Durkin, S J

2008-12-01

Cigarette packaging is a key marketing strategy for promoting brand image. Plain packaging has been proposed to limit brand image, but tobacco companies would resist removal of branding design elements. A 3 (brand types) x 4 (degree of plain packaging) between-subject experimental design was used, using an internet online method, to expose 813 adult Australian smokers to one randomly selected cigarette pack, after which respondents completed ratings of the pack. Compared with current cigarette packs with full branding, cigarette packs that displayed progressively fewer branding design elements were perceived increasingly unfavourably in terms of smokers' appraisals of the packs, the smokers who might smoke such packs, and the inferred experience of smoking a cigarette from these packs. For example, cardboard brown packs with the number of enclosed cigarettes displayed on the front of the pack and featuring only the brand name in small standard font at the bottom of the pack face were rated as significantly less attractive and popular than original branded packs. Smokers of these plain packs were rated as significantly less trendy/stylish, less sociable/outgoing and less mature than smokers of the original pack. Compared with original packs, smokers inferred that cigarettes from these plain packs would be less rich in tobacco, less satisfying and of lower quality tobacco. Plain packaging policies that remove most brand design elements are likely to be most successful in removing cigarette brand image associations.

Thallium Bromide Deposited Using Spray Coating

NASA Astrophysics Data System (ADS)

Ferreira, E. S.; Mulato, M.

2012-08-01

Spray coating was used to produce thallium bromide samples on glass substrates. The influence of several fabrication parameters on the final structural properties of the samples was investigated. Substrate position, substrate temperature, solution concentration, carrying gas, and solution flow were varied systematically, the physical deposition mechanism involved in each case being discussed. Total deposition time of about 3.5 h can lead to 62-μm-thick films, comprising completely packed micrometer-sized crystalline grains. X-ray diffraction and scanning electron microscopy were used to characterize the samples. On the basis of the experimental data, the optimum fabrication conditions were identified. The technique offers an alternative method for fast, cheap fabrication of large-area devices for the detection of high-energy radiation, i.e., X-rays and γ-rays, in medical imaging.

Structure and free energy of cholesteric DNA droplets

NASA Astrophysics Data System (ADS)

Strey, Helmut; Hong, Helen; Easwar, Nalini

2000-03-01

Liquid crystals of DNA are the simplest model systems for DNA packing in cell nuclei or in phage heads. With increasing concentration DNA solutions exhibit the following phases: hexagonal, line hexatic, cholesteric, blue phases. We will present measurements of defect structure and pitch of cholesteric spherulites of short fragment DNA (146 base pairs). DNA concentration as well as salt concentrations are controlled by bathing the spherulites in poly (ethylene glycol) (MW 35,000u) solutions of known osmotic pressure. Combining polarizing microscopy and x-ray scattering with the osmotic stress method allows us to monitor the cholesteric structure and pitch as a function of interaxial distance between DNA molecules as well as salt concentration and type. In particular, we present data on how the DNA cholesteric pitch unwinds when the line hexatic phase is approached.

Retention behavior of neutral solutes in pressurized flow-driven capillary electrochromatography using an ODS column.

PubMed

Nakagawa, Hiroyuki; Kitagawa, Shinya; Araki, Shuki; Ohtani, Hajime

2006-02-01

Several alkyl benzenes are separated by pressurized flow-driven capillary electrochromatography using a temperature-controlled capillary column packed with octadecyl siloxane-modified silica gel, and the effect of applied voltage on the retention is investigated. The van't Hoff plot shows good linearity at the column temperature between 305 and 330 K under applications from -6 to +6 kV. The applied voltage causes a relatively large variation in the enthalpy and the entropy of transfer of the solute from the mobile phase to the stationary phase (> 20%). However, the direction of variation in the enthalpy is almost opposite to that in the entropy, both of which might compensate each other. Therefore, the retention factor is not significantly varied (< 4%) by the application of voltage.

Hydration of Kr(aq) in dilute and concentrated solutions

DOE PAGES

Chaudhari, Mangesh I.; Sabo, Dubravko; Pratt, Lawrence R.; ...

2014-10-13

Molecular dynamics simulations of water with both multi-Kr and single Kr atomic solutes are carried out to implement quasi-chemical theory evaluation of the hydration free energy of Kr(aq). This approach obtains free energy differences reflecting Kr–Kr interactions at higher concentrations. Those differences are negative changes in hydration free energies with increasing concentrations at constant pressure. The changes are due to a slight reduction of packing contributions in the higher concentration case. The observed Kr–Kr distributions, analyzed with the extrapolation procedure of Krüger et al., yield a modestly attractive osmotic second virial coefficient, B2 ≈ -60 cm 3/mol. Moreover, the thermodynamicmore » analysis interconnecting these two approaches shows that they are closely consistent with each other, providing support for both approaches.« less

Quasistatic packings of droplets in flat microfluidic channels

NASA Astrophysics Data System (ADS)

Kadivar, Erfan

2016-02-01

As observed in recent experiments, monodisperse droplets self-assemble spontaneously in different ordered packings. In this work, we present a numerical study of the droplet packings in the flat rectangular microfluidic channels. Employing the boundary element method, we numerically solve the Stokes equation in two-dimension and investigate the appearance of droplet packing and transition between one and two-row packings of monodisperse emulsion droplets. By calculating packing force applied on the droplet interface, we investigate the effect of flow rate, droplet size, and surface tension on the packing configurations of droplets and transition between different topological packings.

The Iranian National Geodata Revision Strategy and Realization Based on Geodatabase

NASA Astrophysics Data System (ADS)

Haeri, M.; Fasihi, A.; Ayazi, S. M.

2012-07-01

In recent years, using of spatial database for storing and managing spatial data has become a hot topic in the field of GIS. Accordingly National Cartographic Center of Iran (NCC) produces - from time to time - some spatial data which is usually included in some databases. One of the NCC major projects was designing National Topographic Database (NTDB). NCC decided to create National Topographic Database of the entire country-based on 1:25000 coverage maps. The standard of NTDB was published in 1994 and its database was created at the same time. In NTDB geometric data was stored in MicroStation design format (DGN) which each feature has a link to its attribute data (stored in Microsoft Access file). Also NTDB file was produced in a sheet-wise mode and then stored in a file-based style. Besides map compilation, revision of existing maps has already been started. Key problems of NCC are revision strategy, NTDB file-based style storage and operator challenges (NCC operators are almost preferred to edit and revise geometry data in CAD environments). A GeoDatabase solution for national Geodata, based on NTDB map files and operators' revision preferences, is introduced and released herein. The proposed solution extends the traditional methods to have a seamless spatial database which it can be revised in CAD and GIS environment, simultaneously. The proposed system is the common data framework to create a central data repository for spatial data storage and management.

Scandinavian consumer preference for beef steaks packed with or without oxygen.

PubMed

Aaslyng, M D; Tørngren, M A; Madsen, N T

2010-07-01

Beef steaks retail-packed with (80% O(2), 20% CO(2)) or without oxygen (either skin-packed or gas-packed (69.6% N(2), 30% CO(2), 0.04% CO or 70% N(2), 30% CO(2))) were compared by consumers in Denmark (n=382), Norway (n=316) and Sweden (n=374). Two pairs of two steaks - one steak packed in a high oxygen atmosphere and one packed without oxygen - were given to the consumers. They were instructed to prepare the steaks at home on two consecutive days, and two persons had to taste each steak. In Denmark, the oxygen-free packing was either gas packing with CO (69.6% N(2), 30% CO(2), 0.04% CO) or without CO (70% N(2), 30% CO(2)), in Norway it was either gas packing with CO (69.6% N(2), 30% CO(2), 0.04% CO) or skin packing, and in Sweden it was either skin packing or gas packing without CO (70% N(2), 30% CO(2)). The meat represented animals that were between 17 and 80 months old (Denmark) and young bulls (Norway and Sweden). Consumers in all three countries clearly preferred steaks packed without oxygen, in terms of overall liking, willingness to pay and their preferred choice of one steak. Furthermore, they preferred the oxygen-free steaks in terms of both overall liking and liking of tenderness, juiciness and flavour. In Sweden, many consumers would pay more than usual for the skin-packed steak, and it was more often chosen as the preferred steak out of the four compared with gas-packed without oxygen. No difference was seen between the two oxygen-free packing methods in Denmark and Norway. Copyright 2010 Elsevier Ltd. All rights reserved.

The silent salesman: an observational study of personal tobacco pack display at outdoor café strips in Australia.

PubMed

Wakefield, Melanie A; Zacher, Meghan; Bayly, Megan; Brennan, Emily; Dono, Joanne; Miller, Caroline; Durkin, Sarah J; Scollo, Michelle M

2014-07-01

We sought to determine the relative frequency and nature of personal display of cigarette packs by smokers in two Australian cities where 30% front-of-pack and 90% back-of-pack health warnings have been used since 2006 and comprehensive tobacco marketing restrictions apply. An observational study counted patrons, active smokers and tobacco packs at cafés, restaurants and bars with outdoor seating. Pack orientation and use of cigarette cases were also noted. Overall, 18954 patrons, 1576 active smokers and 2153 packs were observed, meaning that one out of every 12.0 patrons was actively smoking, and one of every 8.8 patrons displayed a pack. Packs were more frequently observed in lower socio-economic neighbourhoods, reflecting the higher prevalence of smoking in those regions. Packs were displayed less often in venues where children were present, suggesting a greater tendency not to smoke around children. Most packs (81.4%) were oriented face-up, permitting prominent brand display. Only 1.5% of observed packs were cigarette cases, and 4.2% of packs were concealed by another item, such as a phone or wallet. Tobacco packs are frequently seen on table-tops in café strips, providing many opportunities for other patrons and passers-by to be incidentally exposed to cigarette brand names and imagery. Use of cigarette cases is rare, suggesting that smokers eventually habituate to pictorial warnings on branded packs and/or find repeated decanting of each newly purchased branded pack into a case to be inconvenient. Published by the BMJ Publishing Group Limited. For permission to use (where not already granted under a licence) please go to http://group.bmj.com/group/rights-licensing/permissions.

A Solution on Identification and Rearing Files Insmallhold Pig Farming

NASA Astrophysics Data System (ADS)

Xiong, Benhai; Fu, Runting; Lin, Zhaohui; Luo, Qingyao; Yang, Liang

In order to meet government supervision of pork production safety as well as consumeŕs right to know what they buy, this study adopts animal identification, mobile PDA reader, GPRS and other information technologies, and put forward a data collection method to set up rearing files of pig in smallhold pig farming, and designs related metadata structures and its mobile database, and develops a mobile PDA embedded system to collect individual information of pig and uploading into the remote central database, and finally realizes mobile links to the a specific website. The embedded PDA can identify both a special pig bar ear tag appointed by the Ministry of Agricultural and a general data matrix bar ear tag designed by this study by mobile reader, and can record all kinds of inputs data including bacterins, feed additives, animal drugs and even some forbidden medicines and submitted them to the center database through GPRS. At the same time, the remote center database can be maintained by mobile PDA and GPRS, and finally reached pork tracking from its origin to consumption and its tracing through turn-over direction. This study has suggested a feasible technology solution how to set up network pig electronic rearing files involved smallhold pig farming based on farmer and the solution is proved practical through its application in the Tianjińs pork quality traceability system construction. Although some individual techniques have some adverse effects on the system running such as GPRS transmitting speed now, these will be resolved with the development of communication technology. The full implementation of the solution around China will supply technical supports in guaranteeing the quality and safety of pork production supervision and meet consumer demand.

Pushing the glass transition towards random close packing using self-propelled hard spheres

NASA Astrophysics Data System (ADS)

Ni, Ran; Stuart, Martien A. Cohen; Dijkstra, Marjolein

2013-10-01

Although the concept of random close packing with an almost universal packing fraction of approximately 0.64 for hard spheres was introduced more than half a century ago, there are still ongoing debates. The main difficulty in searching the densest packing is that states with packing fractions beyond the glass transition at approximately 0.58 are inherently non-equilibrium systems, where the dynamics slows down with a structural relaxation time diverging with density; hence, the random close packing is inaccessible. Here we perform simulations of self-propelled hard spheres, and we find that with increasing activity the relaxation dynamics can be sped up by orders of magnitude. The glass transition shifts to higher packing fractions upon increasing the activity, allowing the study of sphere packings with fluid-like dynamics at packing fractions close to RCP. Our study opens new possibilities of investigating dense packings and the glass transition in systems of hard particles.

Effects of intravenous delivery systems on infused red blood cells.

PubMed

Gibson, J S; Leff, R D; Roberts, R J

1984-03-01

The effects of various intravenous delivery systems on the integrity of infused red blood cells (RBCs) were studied. Using a factorial design, whole blood and packed RBCs were infused through i.v. delivery systems employing various combinations of i.v. tubing diameter and length, needle gauge, infusion rate (5 and 50 ml/hr), type of infusion pump (piston, diaphragm, or peristaltic operation), and type of blood product. The age and temperature of the blood filter used were held constant. A 5-ml sample of the blood product obtained during each experimental run was analyzed for plasma free-hemoglobin to assess the degree of hemolysis. Osmotic fragility of the RBCs was evaluated by measuring the percentage of hemolysis in the blood products in various concentrations of sodium chloride solution. Type of blood product and i.v. pump were the only variables significantly influencing RBC hemolysis. In both blood products, a greater degree of hemolysis occurred with the peristaltic-type pump than with the other types of pumps. In packed RBCs, the diaphragm-type pump produced greater hemolysis than the piston-type pump, but hemolysis was similar in whole-blood samples. Regardless of the type of pump, more hemolysis occurred in whole blood at the 5-ml/hr infusion rate than at the 50-ml/hr rate, but the converse was true in packed RBCs. Samples of both blood products were less osmotically fragile than their respective controls at sodium chloride concentrations ranging from 0.30 to 0.50%.(ABSTRACT TRUNCATED AT 250 WORDS)

Use of vancomycin silica stationary phase in packed capillary electrochromatography I. Enantiomer separation of basic compounds.

PubMed

Desiderio, C; Aturki, Z; Fanali, S

2001-02-01

Chiral separation of basic compounds was achieved by using 75 or 100 microm ID fused-silica capillaries packed with a vanoomycin-modified diol silica stationary phase. The capillary was firstly packed for about 12 cm with a slurry mixture composed of diolsilica (3:1) then with the vancomycin modified diol-silica (3:1) (23 cm), and finally with diol-silica (3:1) for about 2 cm. Frits were prepared by a heating wire at the two ends of the capillary; the detector window was prepared at 8.5 cm from the end of the capillary where vancomycin was not present. The influence of the mobile phase composition (pH and concentration, organic modifier type and concentration) on the velocity of the electroosmotic flow, chiral resolution and enantioselectivity was studied. Good enantiomeric resolution was achieved for atenolol, oxprenolol, propranolol, and venlafaxine using a mobile phase composition of 100 mM ammonium acetate solution (pH 6)/water/acetonitrile (5:5:90 v/v/v) while for terbutaline a mixture of 5:15:80 v/v/v provided the best separations. The use of methanol instead of acetonitrile caused a general increase of enantiomer resolution of the studied compounds together with a reduction of efficiency and detector response. However, the combination of acetonitrile and methanol in the mobile phase (as, e.g., 10% methanol and 80% acetonitrile) allowed to improve the enantiomer resolution with satisfactory detector response.

Further theoretical studies of modified cyclone separator as a diesel soot particulate emission arrester.

PubMed

Mukhopadhyay, N; Bose, P K

2009-10-01

Soot particulate emission reduction from diesel engine is one of the most emerging problems associated with the exhaust pollution. Diesel particulate filters (DPF) hold out the prospects of substantially reducing regulated particulate emissions but the question of the reliable regeneration of filters still remains a difficult hurdle to overcome. Many of the solutions proposed to date suffer from design complexity, cost, regeneration problem and energy demands. This study presents a computer aided theoretical analysis for controlling diesel soot particulate emission by cyclone separator--a non contact type particulate removal system considering outer vortex flow, inner vortex flow and packed ceramic fiber filter at the end of vortex finder tube. Cyclone separator with low initial cost, simple construction produces low back pressure and reasonably high collection efficiencies with reduced regeneration problems. Cyclone separator is modified by placing a continuous ceramic packed fiber filter placed at the end of the vortex finder tube. In this work, the grade efficiency model of diesel soot particulate emission is proposed considering outer vortex, inner vortex and the continuous ceramic packed fiber filter. Pressure drop model is also proposed considering the effect of the ceramic fiber filter. Proposed model gives reasonably good collection efficiency with permissible pressure drop limit of diesel engine operation. Theoretical approach is predicted for calculating the cut size diameter considering the effect of Cunningham molecular slip correction factor. The result shows good agreements with existing cyclone and DPF flow characteristics.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rochelle, Gary T; Seibert, Frank; Closmann, Fred

The objective of this work is to improve the process for CO{sub 2} capture by alkanolamine absorption/stripping by developing an alternative solvent, aqueous K{sub 2}CO3 promoted by piperazine (PZ). Pilot plant testing was performed in a 16.8-inch ID absorber and stripper with recirculation of air and CO{sub 2}. Three solvents (7 m MEA, 5 m K{sup +}/2.5 m PZ, and 6.4 m K{sup +}/1.6 m PZ) were tested in four campaigns with three different absorber packings. Pilot plant testing established that 5 m K{sup +}/2.5 m PZ requires two times less packing than 7 m MEA and three times lessmore » packing than 6.4 m K{sup +}/1.6 m PZ. A rigorous model of the thermodynamics and mass transfer was developed in the RateSep{trademark} block of AspenPlus{reg_sign}. The double matrix stripper reduces energy consumption by 5 to 15%. The best K{sup +}/PZ solvent, 4 m K{sup +}/4 m PZ, and the best process configuration, double matrix stripper with a double intercooled absorber, requires equivalent work of 40 kJ/mole CO{sub 2} to produce CO{sub 2} at 10 MPa. Inhibitor A is effective at reducing oxidative degradation over a wide range of metal concentrations and solvent types. Piperazine is resistant to oxidative degradation catalyzed by dissolved iron, but it oxidizes at rates comparable to monoethanolamine (MEA) in the presence of dissolved copper. The thermal degradation of MEA becomes significant at 120 C, but loaded piperazine solutions appear to be resistant to thermal degradation up to 135 C. The vapor pressure of PZ over typical lean solution at 40 C will be less than 25 ppm, which is less than the 40 ppm expected for MEA. Significant problems with foaming were encountered and alleviated by antifoamants in the pilot plant campaigns with K{sup +}/PZ. Potassium sulfate is not very soluble in 4 m K{sup +}/4 m PZ, so SO{sub 2} absorption and oxidation to sulfate in the bottom of the absorber may require operation with a slurry of potassium sulfate solids.« less

Sent packing: protein engineering generates a new crystal form of Pseudomonas aeruginosa DsbA1 with increased catalytic surface accessibility

DOE Office of Scientific and Technical Information (OSTI.GOV)

McMahon, Roisin M., E-mail: r.mcmahon1@uq.edu.au; Coinçon, Mathieu; Tay, Stephanie

The crystal structure of a P. aeruginosa DsbA1 variant is more suitable for fragment-based lead discovery efforts to identify inhibitors of this antimicrobial drug target. In the reported structures the active site of the protein can simultaneously bind multiple ligands introduced in the crystallization solution or via soaking. Pseudomonas aeruginosa is an opportunistic human pathogen for which new antimicrobial drug options are urgently sought. P. aeruginosa disulfide-bond protein A1 (PaDsbA1) plays a pivotal role in catalyzing the oxidative folding of multiple virulence proteins and as such holds great promise as a drug target. As part of a fragment-based lead discoverymore » approach to PaDsbA1 inhibitor development, the identification of a crystal form of PaDsbA1 that was more suitable for fragment-soaking experiments was sought. A previously identified crystallization condition for this protein was unsuitable, as in this crystal form of PaDsbA1 the active-site surface loops are engaged in the crystal packing, occluding access to the target site. A single residue involved in crystal-packing interactions was substituted with an amino acid commonly found at this position in closely related enzymes, and this variant was successfully used to generate a new crystal form of PaDsbA1 in which the active-site surface is more accessible for soaking experiments. The PaDsbA1 variant displays identical redox character and in vitro activity to wild-type PaDsbA1 and is structurally highly similar. Two crystal structures of the PaDsbA1 variant were determined in complex with small molecules bound to the protein active site. These small molecules (MES, glycerol and ethylene glycol) were derived from the crystallization or cryoprotectant solutions and provide a proof of principle that the reported crystal form will be amenable to co-crystallization and soaking with small molecules designed to target the protein active-site surface.« less

Indian Renewable Energy and Energy Efficiency Policy Database (Fact Sheet)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bushe, S.

2013-09-01

This fact sheet provides an overview of the Indian Renewable Energy and Energy Efficiency Policy Database (IREEED) developed in collaboration by the United States Department of Energy and India's Ministry of New and Renewable Energy. IREEED provides succinct summaries of India's central and state government policies and incentives related to renewable energy and energy efficiency. The online, public database was developed under the U.S.- India Energy Dialogue and the Clean Energy Solution Center.

Thermodynamics and kinetics of pack aluminide coating formation on IN-100

NASA Technical Reports Server (NTRS)

Levine, S. R.; Caves, R. M.

1973-01-01

An investigation of the effects of pack variables on the formation of aluminide coatings on nickel-base superalloy IN-100 was conducted. Also, the thermodynamics and kinetics of coating formation were analyzed. Observed coating weights were in good agreement with predictions made from the analysis. Pack temperature rather than pack aluminum activity controls the principal coating phase formed. In 1 weight percent aluminum packs, aluminum weight gains were related to the halide pack activator. Solid-state nickel diffusion controlled coating formation from sodium fluoride and chloride and ammonium fluoride activated packs. In other ammonium and sodium halide activated 1 weight percent aluminum packs, gaseous diffusion controlled coating formation.

A study on parameter variation effects on battery packs for electric vehicles

NASA Astrophysics Data System (ADS)

Zhou, Long; Zheng, Yuejiu; Ouyang, Minggao; Lu, Languang

2017-10-01

As one single cell cannot meet power and driving range requirement in an electric vehicle, the battery packs with hundreds of single cells connected in parallel and series should be constructed. The most significant difference between a single cell and a battery pack is cell variation. Not only does cell variation affect pack energy density and power density, but also it causes early degradation of battery and potential safety issues. The cell variation effects on battery packs are studied, which are of great significant to battery pack screening and management scheme. In this study, the description for the consistency characteristics of battery packs was first proposed and a pack model with 96 cells connected in series was established. A set of parameters are introduced to study the cell variation and their impacts on battery packs are analyzed through the battery pack capacity loss simulation and experiments. Meanwhile, the capacity loss composition of the battery pack is obtained and verified by the temperature variation experiment. The results from this research can demonstrate that the temperature, self-discharge rate and coulombic efficiency are the major affecting parameters of cell variation and indicate the dissipative cell equalization is sufficient for the battery pack.

COMDECOM: predicting the lifetime of screening compounds in DMSO solution.

PubMed

Zitha-Bovens, Emrin; Maas, Peter; Wife, Dick; Tijhuis, Johan; Hu, Qian-Nan; Kleinöder, Thomas; Gasteiger, Johann

2009-06-01

The technological evolution of the 1990s in both combinatorial chemistry and high-throughput screening created the demand for rapid access to the compound deck to support the screening process. The common strategy within the pharmaceutical industry is to store the screening library in DMSO solution. Several studies have shown that a percentage of these compounds decompose in solution, varying from a few percent of the total to a substantial part of the library. In the COMDECOM (COMpound DECOMposition) project, the compound stability of screening compounds in DMSO solution is monitored in an accelerated thermal, hydrolytic, and oxidative decomposition program. A large database with stability data is collected, and from this database, a predictive model is being developed. The aim of this program is to build an algorithm that can flag compounds that are likely to decompose-information that is considered to be of utmost importance (e.g., in the compound acquisition process and when evaluation screening results of library compounds, as well as in the determination of optimal storage conditions).

Integrated Functional and Executional Modelling of Software Using Web-Based Databases

NASA Technical Reports Server (NTRS)

Kulkarni, Deepak; Marietta, Roberta

1998-01-01

NASA's software subsystems undergo extensive modification and updates over the operational lifetimes. It is imperative that modified software should satisfy safety goals. This report discusses the difficulties encountered in doing so and discusses a solution based on integrated modelling of software, use of automatic information extraction tools, web technology and databases.

Options for Putting CDS/ISIS Databases on the Internet

ERIC Educational Resources Information Center

Buxton, Andrew

2006-01-01

Purpose: To review the variety of software solutions available for putting CDS/ISIS databases on the internet. To help anyone considering which route to take. Design/methodology/approach: Briefly describes the characteristics, history, origin and availability of each package. Identifies the type of skills required to implement the package and the…

CHSIR Anthropometric Database, CHSIR Truncated Anthropometric Database, and Boundary Manikins

NASA Technical Reports Server (NTRS)

Rajulu, Sudhakar

2011-01-01

The NASA crew anthropometric dimensions that the Commercial Transportation System (CTS) must accommodate are listed in CCT-REQ-1130 Draft 3.0, with the specific critical anthropometric dimensions for use in vehicle design (and suit design in the event that a pressure suit is part of the commercial partner s design solution).

Comparing IndexedHBase and Riak for Serving Truthy: Performance of Data Loading and Query Evaluation

DTIC Science & Technology

2013-08-01

Research Triangle Park, NC 27709-2211 15. SUBJECT TERMS performance evaluation, distributed database, noSQL , HBase, indexing Xiaoming Gao, Judy Qiu...common hashtags created during a given time window. With the purpose of finding a solution for these challenges, we evaluate NoSQL databases such as

Contributions of TetrUSS to Project Orion

NASA Technical Reports Server (NTRS)

Mcmillin, Susan N.; Frink, Neal T.; Kerimo, Johannes; Ding, Djiang; Nayani, Sudheer; Parlette, Edward B.

2011-01-01

The NASA Constellation program has relied heavily on Computational Fluid Dynamics simulations for generating aerodynamic databases and design loads. The Orion Project focuses on the Orion Crew Module and the Orion Launch Abort Vehicle. NASA TetrUSS codes (GridTool/VGRID/USM3D) have been applied in a supporting role to the Crew Exploration Vehicle Aerosciences Project for investigating various aerodynamic sensitivities and supplementing the aerodynamic database. This paper provides an overview of the contributions from the TetrUSS team to the Project Orion Crew Module and Launch Abort Vehicle aerodynamics, along with selected examples to highlight the challenges encountered along the way. A brief description of geometries and tasks will be discussed followed by a description of the flow solution process that produced production level computational solutions. Four tasks conducted by the USM3D team will be discussed to show how USM3D provided aerodynamic data for inclusion in the Orion aero-database, contributed data for the build-up of aerodynamic uncertainties for the aero-database, and provided insight into the flow features about the Crew Module and the Launch Abort Vehicle.

Solutions for medical databases optimal exploitation

PubMed Central

Branescu, I; Purcarea, VL; Dobrescu, R

2014-01-01

The paper discusses the methods to apply OLAP techniques for multidimensional databases that leverage the existing, performance-enhancing technique, known as practical pre-aggregation, by making this technique relevant to a much wider range of medical applications, as a logistic support to the data warehousing techniques. The transformations have practically low computational complexity and they may be implemented using standard relational database technology. The paper also describes how to integrate the transformed hierarchies in current OLAP systems, transparently to the user and proposes a flexible, “multimodel" federated system for extending OLAP querying to external object databases. PMID:24653769

An ESEM investigation of latex film formation in cement pore solution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gretz, M.; Plank, J., E-mail: sekretariat@bauchemie.ch.tum.d

2011-02-15

Environmental scanning electron microscopy (ESEM) and complementary methods were employed to study the time dependent film formation of a latex dispersion in water and cement pore solution. First, a model carboxylated styrene/n-butyl acrylate latex dispersion possessing a minimum film forming temperature (MFFT) of 18 {sup o}C was synthesized in aqueous media via emulsion polymerization. Its film forming property was at a temperature of 40 {sup o}C, studied under an ESEM. The analysis revealed that upon removal of water, film formation occurs as a result of particle packing, particle deformation and finally particle coalescence. Film formation is significantly retarded when themore » latex dispersion is present in cement pore solution. This effect can be ascribed to adsorption of Ca{sup 2+} ions onto the surface of the anionic latex particles and to interfacial secondary phases. This layer of adsorbed Ca{sup 2+} ions hinders interdiffusion of the macromolecules and subsequent film formation of the latex polymer.« less

Improved electron injection in all-solution-processed n-type organic field-effect transistors with an inkjet-printed ZnO electron injection layer

NASA Astrophysics Data System (ADS)

Roh, Jeongkyun; Kim, Hyeok; Park, Myeongjin; Kwak, Jeonghun; Lee, Changhee

2017-10-01

Interface engineering for the improved injection properties of all-solution-processed n-type organic field-effect transistors (OFETs) arising from the use of an inkjet-printed ZnO electron injection layer were demonstrated. The characteristics of ZnO in terms of electron injection and transport were investigated, and then we employed ZnO as the electron injection layer via inkjet-printing during the fabrication of all-solution-processed, n-type OFETs. With the inkjet-printed ZnO electron injection layer, the devices exhibited approximately five-fold increased mobility (0.0058 cm2/V s to 0.030 cm2/V s), more than two-fold increased charge concentration (2.76 × 1011 cm-2 to 6.86 × 1011 cm-2), and two orders of magnitude reduced device resistance (120 MΩ cm to 3 MΩ cm). Moreover, n-type polymer form smoother film with ZnO implying denser packing of polymer, which results in higher mobility.

Ultrahigh density alignment of carbon nanotube arrays by dielectrophoresis.

PubMed

Shekhar, Shashank; Stokes, Paul; Khondaker, Saiful I

2011-03-22

We report ultrahigh density assembly of aligned single-walled carbon nanotube (SWNT) two-dimensional arrays via AC dielectrophoresis using high-quality surfactant-free and stable SWNT solutions. After optimization of frequency and trapping time, we can reproducibly control the linear density of the SWNT between prefabricated electrodes from 0.5 SWNT/μm to more than 30 SWNT/μm by tuning the concentration of the nanotubes in the solution. Our maximum density of 30 SWNT/μm is the highest for aligned arrays via any solution processing technique reported so far. Further increase of SWNT concentration results in a dense array with multiple layers. We discuss how the orientation and density of the nanotubes vary with concentrations and channel lengths. Electrical measurement data show that the densely packed aligned arrays have low sheet resistances. Selective removal of metallic SWNTs via controlled electrical breakdown produced field-effect transistors with high current on-off ratio. Ultrahigh density alignment reported here will have important implications in fabricating high-quality devices for digital and analog electronics.

Structure of highly asymmetric hard-sphere mixtures: an efficient closure of the Ornstein-Zernike equations.

PubMed

Amokrane, S; Ayadim, A; Malherbe, J G

2005-11-01

A simple modification of the reference hypernetted chain (RHNC) closure of the multicomponent Ornstein-Zernike equations with bridge functions taken from Rosenfeld's hard-sphere bridge functional is proposed. Its main effect is to remedy the major limitation of the RHNC closure in the case of highly asymmetric mixtures--the wide domain of packing fractions in which it has no solution. The modified closure is also much faster, while being of similar complexity. This is achieved with a limited loss of accuracy, mainly for the contact value of the big sphere correlation functions. Comparison with simulation shows that inside the RHNC no-solution domain, it provides a good description of the structure, while being clearly superior to all the other closures used so far to study highly asymmetric mixtures. The generic nature of this closure and its good accuracy combined with a reduced no-solution domain open up the possibility to study the phase diagram of complex fluids beyond the hard-sphere model.

Poly[2,5-bis(3-dodecylthiophen-2-yl)thieno[3,2-b]thiophene] Oligomer Single-Crystal Nanowires from Supercritical Solution and Their Anisotropic Exciton Dynamics.

PubMed

Colella, Nicholas S; Labastide, Joelle A; Cherniawski, Benjamin P; Thompson, Hilary B; Marques, Sarah R; Zhang, Lei; Usluer, Özlem; Watkins, James J; Briseno, Alejandro L; Barnes, Michael D

2017-07-06

Supercritical fluids, exhibiting a combination of liquid-like solvation power and gas-like diffusivity, are a relatively unexplored medium for processing and crystallization of oligomer and polymeric semiconductors whose optoelectronic properties critically depend on the microstructure. Here we report oligomer crystallization from the polymer organic semiconductor, poly[2,5-bis(3-dodecylthiophen-2-yl)thieno[3,2-b]thiophene] (PBTTT) in supercritical hexane, yielding needle-like single crystals up to several microns in length. We characterize the crystals' photophysical properties by time- and polarization-resolved photoluminescence (TPRPL) spectroscopy. These techniques reveal two-dimensional interchromophore coupling facilitated by the high degree of π-stacking order within the crystal. Furthermore, the crystals obtained from supercritical fluid were found to be similar photophysically as the crystallites found in solution-cast thin films and distinct from solution-grown crystals that exhibited spectroscopic signatures indicative of different packing geometries.

Controlled graphene oxide assembly on silver nanocube monolayers for SERS detection: dependence on nanocube packing procedure

PubMed Central

Banchelli, Martina; Tiribilli, Bruno; Pini, Roberto; Dei, Luigi

2016-01-01

Summary Hybrid graphene oxide/silver nanocubes (GO/AgNCs) arrays for surface-enhanced Raman spectroscopy (SERS) applications were prepared by means of two procedures differing for the method used in the assembly of the silver nanocubes onto the surface: Langmuir–Blodgett (LB) transfer and direct sequential physisorption of silver nanocubes (AgNCs). Adsorption of graphene oxide (GO) flakes on the AgNC assemblies obtained with both procedures was monitored by quartz crystal microbalance (QCM) technique as a function of GO bulk concentration. The experiment provided values of the adsorbed GO mass on the AgNC array and the GO saturation limit as well as the thickness and the viscoelastic properties of the GO film. Atomic force microscopy (AFM) measurements of the resulting samples revealed that a similar surface coverage was achieved with both procedures but with a different distribution of silver nanoparticles. In the GO covered LB film, the AgNC distribution is characterized by densely packed regions alternating with empty surface areas. On the other hand, AgNCs are more homogeneously dispersed over the entire sensor surface when the nanocubes spontaneously adsorb from solution. In this case, the assembly results in less-packed silver nanostructures with higher inter-cube distance. For the two assembled substrates, AFM of silver nanocubes layers fully covered with GO revealed the presence of a homogeneous, flexible and smooth GO sheet folding over the silver nanocubes and extending onto the bare surface. Preliminary SERS experiments on adenine showed a higher SERS enhancement factor for GO on Langmuir–Blodgett films of AgNCs with respect to bare AgNC systems. Conversely, poor SERS enhancement for adenine resulted for GO-covered AgNCs obtained by spontaneous adsorption. This indicated that the assembly and packing of AgNCs obtained in this way, although more homogeneous over the substrate surface, is not as effective for SERS analysis. PMID:26925348

Advanced instrumentation: Technology database enhancement, volume 4, appendix G

NASA Technical Reports Server (NTRS)

1991-01-01

The purpose of this task was to add to the McDonnell Douglas Space Systems Company's Sensors Database, including providing additional information on the instruments and sensors applicable to physical/chemical Environmental Control and Life Support System (P/C ECLSS) or Closed Ecological Life Support System (CELSS) which were not previously included. The Sensors Database was reviewed in order to determine the types of data required, define the data categories, and develop an understanding of the data record structure. An assessment of the MDSSC Sensors Database identified limitations and problems in the database. Guidelines and solutions were developed to address these limitations and problems in order that the requirements of the task could be fulfilled.

SIRIUS. An automated method for the analysis of the preferred packing arrangements between protein groups.

PubMed

Singh, J; Thornton, J M

1990-02-05

Automated methods have been developed to determine the preferred packing arrangement between interacting protein groups. A suite of FORTRAN programs, SIRIUS, is described for calculating and analysing the geometries of interacting protein groups using crystallographically derived atomic co-ordinates. The programs involved in calculating the geometries search for interacting pairs of protein groups using a distance criterion, and then calculate the spatial disposition and orientation of the pair. The second set of programs is devoted to analysis. This involves calculating the observed and expected distributions of the angles and assessing the statistical significance of the difference between the two. A database of the geometries of the 400 combinations of side-chain to side-chain interaction has been created. The approach used in analysing the geometrical information is illustrated here with specific examples of interactions between side-chains, peptide groups and particular types of atom. At the side-chain level, an analysis of aromatic-amino interactions, and the interactions of peptide carbonyl groups with arginine residues is presented. At the atomic level the analyses include the spatial disposition of oxygen atoms around tyrosine residues, and the frequency and type of contact between carbon, nitrogen and oxygen atoms. This information is currently being applied to the modelling of protein interactions.

Do the smoking intensity and duration, the years since quitting, the methodological quality and the year of publication of the studies affect the results of the meta-analysis on cigarette smoking and Acute Myeloid Leukemia (AML) in adults?

PubMed

Colamesta, Vittoria; D'Aguanno, Silvia; Breccia, Massimo; Bruffa, Sara; Cartoni, Claudio; La Torre, Giuseppe

2016-03-01

The aim was to perform a systematic review and meta-analysis on the relationship between tobacco smoking and the onset of acute myeloid leukemia (AML) in adults. PubMed and Scopus databases were systematically searched. In the meta-analysis, random or fixed effects models were used according to the presence of heterogeneity. Study quality was assessed using the Newcastle-Ottawa Scale. Twenty-seven articles were included. Case-control and cohort meta-analyses show that current, ever and former smokers have a significant increased risk to develop AML compared to never smokers [current: OR=1.36 (1.11-1.66) and RR=1.52 (1.10-2.14); ever: OR=1.25 (1.14-1.38) and RR=1.45 (1.10-1.90); former: OR=1.21 (1.03-1.41) and RR=1.45 (1.08-1.94)]. Moreover, increasing smoking intensity and duration is associated with an increase of the risk, OR shift from 1.14 (1-20 pack/years) to 2.36 (>40 pack/years). Smoking may have a significant role in AML onset in a multistep pathogenesis. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

Precipitation of sparingly soluble salts in packed sandbeds

NASA Astrophysics Data System (ADS)

Pavlakou, Efstathia I.; Sygouni, Varvara; Paraskeva, Christakis A.

2015-04-01

One of the main problems encountered by the oil extraction industry, is the reduction of the local permeability of the rock formation near the extraction wells because of salt deposition in the pores of the rocks during the injection of brine water to displace the trapped oil ganglia within the oil formations. This phenomenon makes the oil recovery less efficient and under extreme cases the well is abandoned with a large amount of oil entrapped. Several detailed studies have been conducted in the past concerning sand bed consolidation using sparingly soluble salts for varying conditions (e.g. temperature, grain size, sand type, salt concentrations etc) and various salts [1]. Nevertheless, salt precipitation in the rock formation pores under the presence of other miscible or immiscible substances with water has not been investigated in details yet. In the present study, salt (CaCO3) precipitation experiments were performed in small beds packed with sea sand mixed with a low amount of CaCO3 seed grains. The experiments were performed using pure solutions (NaHCO3, CaCl2.2H2O) and solutions mixed with Ethylene Glycol in sand beds. Additionally, precipitation experiments were performed using pure solutions in sand beds saturated with oil phase (n-dodecane) for a wide range of solution supersaturation. During the experiments the ionic strength was kept constant. pH and concentration values of calcium ion of the effluent were measured and the precipitated salt crystals were identified using X-ray Diffraction (XRD) method. At the end of each experiment Scanning Electron Microscope (SEM) was conducted using a sample of the precipitated sand to identify the morphology of the precipitated crystals and their cohesion with sand grains. Acknowledgments This research was partially funded by the European Union (European Social Fund-ESF) and Greek National Funds through the Operational program "Education and Lifelong Learning" under the action Aristeia II (Code No 4420). References [1] Paraskeva C. A., Charalampous P. C., Stokka L. E., Klepetsanis P. G., Koutsoukos P. G., Read P., Ostvold, T. and Payatakes A. C. (2000), ''Sandbed Consolidation with Mineral Precipitation'', Journal of Colloid and Interface Science, 232, 326-339.

The effect of cigarette branding and plain packaging on female youth in the United Kingdom.

PubMed

Hammond, David; Daniel, Samantha; White, Christine M

2013-02-01

Cigarette packaging is the most prominent form of tobacco marketing remaining in countries such as the United Kingdom. The current study examined perceptions of cigarette packaging among female youth and the potential impact of "plain" cigarette packaging regulations. A national sample of 947 16- to 19-year-old female subjects in the United Kingdom completed an online survey. Participants were randomized to view 10 cigarette packs designed according to one of four experimental conditions: fully branded female packs, the same packs without descriptor words, the same packs without brand imagery or descriptors ("plain" packs), and branded non-female brands. Participants rated packs on measures of appeal and health risk, positive smoker image, and completed a behavioral pack selection task. Plain packs were rated as the least appealing and worse tasting compared with all other conditions. Plain packs were also associated with fewer false beliefs about health risks compared with branded packs. Removing brand descriptors from packs significantly reduced measures of appeal and taste, particularly for brands with flavor descriptors, such as cherry and vanilla. Plain packs were significantly less likely to be associated with positive images, such as glamour, sophistication, and slimness. Most importantly, respondents were significantly less likely to accept a pack of cigarettes when offered only plain versus branded packs (p = .026). Marketing in the form of pack branding remains a potent tool for increasing the appeal of tobacco products to young women. The findings provide empirical support for plain cigarette packaging regulations in Australia to be implemented in 2012. Copyright © 2013 Society for Adolescent Health and Medicine. Published by Elsevier Inc. All rights reserved.

Mini-columns for Conducting Breakthrough Experiments. Design and Construction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dittrich, Timothy M.; Reimus, Paul William; Ware, Stuart Douglas

Experiments with moderately and strongly sorbing radionuclides (i.e., U, Cs, Am) have shown that sorption between experimental solutions and traditional column materials must be accounted for to accurately determine stationary phase or porous media sorption properties (i.e., sorption site density, sorption site reaction rate coefficients, and partition coefficients or K d values). This report details the materials and construction of mini-columns for use in breakthrough columns to allow for accurate measurement and modeling of sorption parameters. Material selection, construction techniques, wet packing of columns, tubing connections, and lessons learned are addressed.

Design of a prototype flow microreactor for synthetic biology in vitro.

PubMed

Boehm, Christian R; Freemont, Paul S; Ces, Oscar

2013-09-07

As a reference platform for in vitro synthetic biology, we have developed a prototype flow microreactor for enzymatic biosynthesis. We report the design, implementation, and computer-aided optimisation of a three-step model pathway within a microfluidic reactor. A packed bed format was shown to be optimal for enzyme compartmentalisation after experimental evaluation of several approaches. The specific substrate conversion efficiency could significantly be improved by an optimised parameter set obtained by computational modelling. Our microreactor design provides a platform to explore new in vitro synthetic biology solutions for industrial biosynthesis.

Inductive High Power Transfer Technologies for Electric Vehicles

NASA Astrophysics Data System (ADS)

Madzharov, Nikolay D.; Tonchev, Anton T.

2014-03-01

Problems associated with "how to charge the battery pack of the electric vehicle" become more important every passing day. Most logical solution currently is the non-contact method of charge, possessing a number of advantages over standard contact methods for charging. This article focuses on methods for Inductive high power contact-less transfer of energy at relatively small distances, their advantages and disadvantages. Described is a developed Inductive Power Transfer (IPT) system for fast charging of electric vehicles with nominal power of 30 kW over 7 to 9 cm air gap.

Hall-Effect Measurements Probing the Degree of Charge-Carrier Delocalization in Solution-Processed Crystalline Molecular Semiconductors

NASA Astrophysics Data System (ADS)

Chang, Jui-Fen; Sakanoue, Tomo; Olivier, Yoann; Uemura, Takafumi; Dufourg-Madec, Marie-Beatrice; Yeates, Stephen G.; Cornil, Jérôme; Takeya, Jun; Troisi, Alessandro; Sirringhaus, Henning

2011-08-01

Intramolecular structure and intermolecular packing in crystalline molecular semiconductors should have profound effects on the charge-carrier wave function, but simple drift mobility measurements are not very sensitive to this. Here we show that differences in the Hall resistance of two soluble pentacene derivatives can be explained with different degrees of carrier delocalization being limited by thermal lattice fluctuations. A combination of Hall measurements, optical spectroscopy, and theoretical simulations provides a powerful probe of structure-property relationships at a molecular level.

Kinetics of pack aluminization of nickel

NASA Technical Reports Server (NTRS)

Seigle, L. L.; Gupta, B. K.; Shankar, R.; Sarkhel, A. K.

1978-01-01

The kinetics of pack aluminization of unalloyed nickel in packs of varying aluminum activity with various halide activators were studied. Surface compositions of the coatings as functions of time, temperature, and pack composition were obtained in order to establish the boundary conditions for diffusion in the system. The structure of the packs was also examined in order to clarify the mechanism of aluminum transport. The results indicate that the kinetics of pack aluminization are controlled jointly by gas diffusion in the pack and solid diffusion in the coating. Levine and Caves' model for gas diffusion was combined with calculations of rates of diffusion in the solid to formulate a more complete theory for the kinetics of pack aluminization.

Towards communication-efficient quantum oblivious key distribution

NASA Astrophysics Data System (ADS)

Panduranga Rao, M. V.; Jakobi, M.

2013-01-01

Symmetrically private information retrieval, a fundamental problem in the field of secure multiparty computation, is defined as follows: A database D of N bits held by Bob is queried by a user Alice who is interested in the bit Db in such a way that (1) Alice learns Db and only Db and (2) Bob does not learn anything about Alice's choice b. While solutions to this problem in the classical domain rely largely on unproven computational complexity theoretic assumptions, it is also known that perfect solutions that guarantee both database and user privacy are impossible in the quantum domain. Jakobi [Phys. Rev. APLRAAN1050-294710.1103/PhysRevA.83.022301 83, 022301 (2011)] proposed a protocol for oblivious transfer using well-known quantum key device (QKD) techniques to establish an oblivious key to solve this problem. Their solution provided a good degree of database and user privacy (using physical principles like the impossibility of perfectly distinguishing nonorthogonal quantum states and the impossibility of superluminal communication) while being loss-resistant and implementable with commercial QKD devices (due to the use of the Scarani-Acin-Ribordy-Gisin 2004 protocol). However, their quantum oblivious key distribution (QOKD) protocol requires a communication complexity of O(NlogN). Since modern databases can be extremely large, it is important to reduce this communication as much as possible. In this paper, we first suggest a modification of their protocol wherein the number of qubits that need to be exchanged is reduced to O(N). A subsequent generalization reduces the quantum communication complexity even further in such a way that only a few hundred qubits are needed to be transferred even for very large databases.

Advanced Techniques for Deploying Reliable and Efficient Access Control: Application to E-healthcare.

PubMed

Jaïdi, Faouzi; Labbene-Ayachi, Faten; Bouhoula, Adel

2016-12-01

Nowadays, e-healthcare is a main advancement and upcoming technology in healthcare industry that contributes to setting up automated and efficient healthcare infrastructures. Unfortunately, several security aspects remain as main challenges towards secure and privacy-preserving e-healthcare systems. From the access control perspective, e-healthcare systems face several issues due to the necessity of defining (at the same time) rigorous and flexible access control solutions. This delicate and irregular balance between flexibility and robustness has an immediate impact on the compliance of the deployed access control policy. To address this issue, the paper defines a general framework to organize thinking about verifying, validating and monitoring the compliance of access control policies in the context of e-healthcare databases. We study the problem of the conformity of low level policies within relational databases and we particularly focus on the case of a medical-records management database defined in the context of a Medical Information System. We propose an advanced solution for deploying reliable and efficient access control policies. Our solution extends the traditional lifecycle of an access control policy and allows mainly managing the compliance of the policy. We refer to an example to illustrate the relevance of our proposal.

Comparison of the biological H2S removal characteristics among four inorganic packing materials.

PubMed

Hirai, M; Kamamoto, M; Yani, M; Shoda, M

2001-01-01

Four inorganic packing materials were evaluated in terms of their availability as packing materials of a packed tower deodorization apparatus (biofilter) from the viewpoints of biological H2S removal characteristics and some physical properties. Among porous ceramics (A), calcinated cristobalite (B), calcinated and formed obsidian (C), granulated and calcinated soil (D), the superiority of these packing materials determined based on the values of non-biological removal per unit weight or unit volume of packing material, complete removal capacity of H2S per unit weight of packing material per day or unit volume of packing material per day and pressure drop of the packed bed was in the order of A approximately equal to C > D approximately equal to B, which is correlated with the maximum water content, porosity, and mean pore diameter.

Densest local sphere-packing diversity. II. Application to three dimensions

NASA Astrophysics Data System (ADS)

Hopkins, Adam B.; Stillinger, Frank H.; Torquato, Salvatore

2011-01-01

The densest local packings of N three-dimensional identical nonoverlapping spheres within a radius Rmin(N) of a fixed central sphere of the same size are obtained for selected values of N up to N=1054. In the predecessor to this paper [A. B. Hopkins, F. H. Stillinger, and S. Torquato, Phys. Rev. EPLEEE81063-651X10.1103/PhysRevE.81.041305 81, 041305 (2010)], we described our method for finding the putative densest packings of N spheres in d-dimensional Euclidean space Rd and presented those packings in R2 for values of N up to N=348. Here we analyze the properties and characteristics of the densest local packings in R3 and employ knowledge of the Rmin(N), using methods applicable in any d, to construct both a realizability condition for pair correlation functions of sphere packings and an upper bound on the maximal density of infinite sphere packings. In R3, we find wide variability in the densest local packings, including a multitude of packing symmetries such as perfect tetrahedral and imperfect icosahedral symmetry. We compare the densest local packings of N spheres near a central sphere to minimal-energy configurations of N+1 points interacting with short-range repulsive and long-range attractive pair potentials, e.g., 12-6 Lennard-Jones, and find that they are in general completely different, a result that has possible implications for nucleation theory. We also compare the densest local packings to finite subsets of stacking variants of the densest infinite packings in R3 (the Barlow packings) and find that the densest local packings are almost always most similar as measured by a similarity metric, to the subsets of Barlow packings with the smallest number of coordination shells measured about a single central sphere, e.g., a subset of the fcc Barlow packing. Additionally, we observe that the densest local packings are dominated by the dense arrangement of spheres with centers at distance Rmin(N). In particular, we find two “maracas” packings at N=77 and N=93, each consisting of a few unjammed spheres free to rattle within a “husk” composed of the maximal number of spheres that can be packed with centers at respective Rmin(N).

Ephemeroptera, Plecoptera and Trichoptera (Insecta) Abundance, Diversity and Role in Leaf Litter Breakdown in Tropical Headwater River

PubMed Central

Ab Hamid, Suhaila; Md Rawi, Che Salmah

2017-01-01

Leaf litter decomposition in a tropical stream was examined in two types of leaf packs; single species leaf packs of Pometia pinnata and two species leaf packs of equal combination of Pometia pinnata and Dolichandrone spathacea leaves. Both leaf packs were immersed in a river and weekly examined for remains of decomposed leaves and presence of EPT. In the control leaf packs, leaves in the two species leaf packs treatments decomposed within 35 days, faster than in single species leaf packs which decomposed after 42 days. In the presence of EPT, the leaf breakdown took 28 days in two species and 35 days for single species leaf packs. Higher abundance of EPT was observed in single species leaf packs but its diversity was higher in two species leaf packs. Litter breakdown in the stream was faster in the presence of EPT and softer leaves of D. spathacea with higher nitrogen content underwent faster decomposition and sustained higher numbers of EPT. PMID:28890763

Ephemeroptera, Plecoptera and Trichoptera (Insecta) Abundance, Diversity and Role in Leaf Litter Breakdown in Tropical Headwater River.

PubMed

Ab Hamid, Suhaila; Md Rawi, Che Salmah

2017-07-01

Leaf litter decomposition in a tropical stream was examined in two types of leaf packs; single species leaf packs of Pometia pinnata and two species leaf packs of equal combination of Pometia pinnata and Dolichandrone spathacea leaves. Both leaf packs were immersed in a river and weekly examined for remains of decomposed leaves and presence of EPT. In the control leaf packs, leaves in the two species leaf packs treatments decomposed within 35 days, faster than in single species leaf packs which decomposed after 42 days. In the presence of EPT, the leaf breakdown took 28 days in two species and 35 days for single species leaf packs. Higher abundance of EPT was observed in single species leaf packs but its diversity was higher in two species leaf packs. Litter breakdown in the stream was faster in the presence of EPT and softer leaves of D. spathacea with higher nitrogen content underwent faster decomposition and sustained higher numbers of EPT.

Centrifugal sedimentation for selectively packing channels with silica microbeads in three-dimensional micro/nanofluidic devices.

PubMed

Gong, Maojun; Bohn, Paul W; Sweedler, Jonathan V

2009-03-01

Incorporation of nanofluidic elements into microfluidic channels is one approach for adding filtration and partition functionality to planar microfluidic devices, as well as providing enhanced biomolecular separations. Here we introduce a strategy to pack microfluidic channels with silica nanoparticles and microbeads, thereby indirectly producing functional nanostructures; the method allows selected channels to be packed, here demonstrated so that a separation channel is packed while keeping an injection channel unpacked. A nanocapillary array membrane is integrated between two patterned microfluidic channels that cross each other in vertically separated layers. The membrane serves both as a frit for bead packing and as a fluid communication conduit between microfluidic channels. Centrifugal force-assisted sedimentation is then used to selectively pack the microfluidic channels using an aqueous silica bead suspension loaded into the appropriate inlet reservoirs. This packing approach may be used to simultaneously pack multiple channels with silica microbeads having different sizes and surface properties. The chip design and packing method introduced here are suitable for packing silica particles in sizes ranging from nanometers to micrometers and allow rapid (approximately 10 min) packing with high quality. The liquid/analyte transport characteristics of these packed micro/nanofluidic devices have potential utility in a wide range of applications, including electroosmotic pumping, liquid chromatographic separations, and electrochromatography.

Adhesive loose packings of small dry particles.

PubMed

Liu, Wenwei; Li, Shuiqing; Baule, Adrian; Makse, Hernán A

2015-08-28

We explore adhesive loose packings of small dry spherical particles of micrometer size using 3D discrete-element simulations with adhesive contact mechanics and statistical ensemble theory. A dimensionless adhesion parameter (Ad) successfully combines the effects of particle velocities, sizes and the work of adhesion, identifying a universal regime of adhesive packings for Ad > 1. The structural properties of the packings in this regime are well described by an ensemble approach based on a coarse-grained volume function that includes the correlation between bulk and contact spheres. Our theoretical and numerical results predict: (i) an equation of state for adhesive loose packings that appear as a continuation from the frictionless random close packing (RCP) point in the jamming phase diagram and (ii) the existence of an asymptotic adhesive loose packing point at a coordination number Z = 2 and a packing fraction ϕ = 1/2(3). Our results highlight that adhesion leads to a universal packing regime at packing fractions much smaller than the random loose packing (RLP), which can be described within a statistical mechanical framework. We present a general phase diagram of jammed matter comprising frictionless, frictional, adhesive as well as non-spherical particles, providing a classification of packings in terms of their continuation from the spherical frictionless RCP.

Ultrathin free-standing close-packed gold nanoparticle films: Conductivity and Raman scattering enhancement

NASA Astrophysics Data System (ADS)

Yu, Qing; Huang, Hongwen; Peng, Xinsheng; Ye, Zhizhen

2011-09-01

A simple filtration technique was developed to prepare large scale free-standing close-packed gold nanoparticle ultrathin films using metal hydroxide nanostrands as both barrier layer and sacrificial layer. As thin as 70 nm, centimeter scale robust free-standing gold nanoparticle thin film was obtained. The thickness of the films could be easily tuned by the filtration volumes. The electronic conductivities of these films varied with the size of the gold nanoparticles, post-treatment temperature, and thickness, respectively. The conductivity of the film prepared from 20 nm gold nanoparticles is higher than that of the film prepared from 40 nm gold nanoparticle by filtering the same filtration volume of their solution, respectively. Their conductivities are comparable to that of the 220 nm thick ITO film. Furthermore, these films demonstrated an average surface Raman scattering enhancement up to 6.59 × 105 for Rhodamine 6 G molecules on the film prepared from 40 nm gold nanoparticles. Due to a lot of nano interspaces generated from the close-packed structures, two abnormal enhancements and relative stronger intensities of the asymmetrical vibrations at 1534 and 1594 cm-1 of R6G were observed, respectively. These robust free-standing gold nanoparticle films could be easily transferred onto various solid substrates and hold the potential application for electrodes and surface enhanced Raman detectors. This method is applicable for preparation of other nanoparticle free-standing thin films.A simple filtration technique was developed to prepare large scale free-standing close-packed gold nanoparticle ultrathin films using metal hydroxide nanostrands as both barrier layer and sacrificial layer. As thin as 70 nm, centimeter scale robust free-standing gold nanoparticle thin film was obtained. The thickness of the films could be easily tuned by the filtration volumes. The electronic conductivities of these films varied with the size of the gold nanoparticles, post-treatment temperature, and thickness, respectively. The conductivity of the film prepared from 20 nm gold nanoparticles is higher than that of the film prepared from 40 nm gold nanoparticle by filtering the same filtration volume of their solution, respectively. Their conductivities are comparable to that of the 220 nm thick ITO film. Furthermore, these films demonstrated an average surface Raman scattering enhancement up to 6.59 × 105 for Rhodamine 6 G molecules on the film prepared from 40 nm gold nanoparticles. Due to a lot of nano interspaces generated from the close-packed structures, two abnormal enhancements and relative stronger intensities of the asymmetrical vibrations at 1534 and 1594 cm-1 of R6G were observed, respectively. These robust free-standing gold nanoparticle films could be easily transferred onto various solid substrates and hold the potential application for electrodes and surface enhanced Raman detectors. This method is applicable for preparation of other nanoparticle free-standing thin films. Electronic supplementary information (ESI) available: Figure S1, the SEM images and photograph of the films prepared from 10 ml, 20 nm gold nanoparticles. Scheme S1, the vibrations of 1534 and 1594 cm-1 of R6G. See DOI: 10.1039/c1nr10578g

High pressure synthesis of a hexagonal close-packed phase of the high-entropy alloy CrMnFeCoNi

NASA Astrophysics Data System (ADS)

Tracy, Cameron L.; Park, Sulgiye; Rittman, Dylan R.; Zinkle, Steven J.; Bei, Hongbin; Lang, Maik; Ewing, Rodney C.; Mao, Wendy L.

2017-05-01

High-entropy alloys, near-equiatomic solid solutions of five or more elements, represent a new strategy for the design of materials with properties superior to those of conventional alloys. However, their phase space remains constrained, with transition metal high-entropy alloys exhibiting only face- or body-centered cubic structures. Here, we report the high-pressure synthesis of a hexagonal close-packed phase of the prototypical high-entropy alloy CrMnFeCoNi. This martensitic transformation begins at 14 GPa and is attributed to suppression of the local magnetic moments, destabilizing the initial fcc structure. Similar to fcc-to-hcp transformations in Al and the noble gases, the transformation is sluggish, occurring over a range of >40 GPa. However, the behaviour of CrMnFeCoNi is unique in that the hcp phase is retained following decompression to ambient pressure, yielding metastable fcc-hcp mixtures. This demonstrates a means of tuning the structures and properties of high-entropy alloys in a manner not achievable by conventional processing techniques.

Quantitative semi-automated analysis of morphogenesis with single-cell resolution in complex embryos.

PubMed

Giurumescu, Claudiu A; Kang, Sukryool; Planchon, Thomas A; Betzig, Eric; Bloomekatz, Joshua; Yelon, Deborah; Cosman, Pamela; Chisholm, Andrew D

2012-11-01

A quantitative understanding of tissue morphogenesis requires description of the movements of individual cells in space and over time. In transparent embryos, such as C. elegans, fluorescently labeled nuclei can be imaged in three-dimensional time-lapse (4D) movies and automatically tracked through early cleavage divisions up to ~350 nuclei. A similar analysis of later stages of C. elegans development has been challenging owing to the increased error rates of automated tracking of large numbers of densely packed nuclei. We present Nucleitracker4D, a freely available software solution for tracking nuclei in complex embryos that integrates automated tracking of nuclei in local searches with manual curation. Using these methods, we have been able to track >99% of all nuclei generated in the C. elegans embryo. Our analysis reveals that ventral enclosure of the epidermis is accompanied by complex coordinated migration of the neuronal substrate. We can efficiently track large numbers of migrating nuclei in 4D movies of zebrafish cardiac morphogenesis, suggesting that this approach is generally useful in situations in which the number, packing or dynamics of nuclei present challenges for automated tracking.

Preparation and Characterization of Ternary Antimicrobial Films of β-Cyclodextrin/Allyl Isothiocyanate/Polylactic Acid for the Enhancement of Long-Term Controlled Release

PubMed Central

Wang, Jinpeng; Qiu, Chao; Narsimhan, Ganesan; Jin, Zhengyu

2017-01-01

Allyl isothiocyanate (AITC) are natural essential oil components that have outstanding antimicrobial activities. However, low water solubility, high volatility, and easy degradation by heat, restricting their application in food packing industry. Development of the inclusion complex of β-cyclodextrin/AITC (β-CD/AITC) is a promising solution. Furthermore, the incorporation of β-CD/AITC complex into polylactic acid (PLA) films would be an attractive method to develop food antimicrobial materials. The aim of this study was to evaluate the enhancement in physicochemical properties, antimicrobial activities, and controlled release of β-CD/AITC from such films. The addition of β-CD/AITC significantly increased the flexibility and thermal stability of films. The Fourier transform infrared (FTIR) results revealed that the interactions between β-CD/AITC and PLA films occurred. The controlled release of AITC encapsulated in β-CD was significantly affected by relative humidity and temperature. The PLA films containing β-CD/AITC can be applied as an effective antimicrobial packing material for food and non-food applications. PMID:29053573

Competitive migration behaviors of multiple ions and their impacts on ion-exchange resin packed microbial desalination cell.

PubMed

Zuo, Kuichang; Yuan, Lulu; Wei, Jincheng; Liang, Peng; Huang, Xia

2013-10-01

Mixed ion-exchange resins packed microbial desalination cell (R-MDC) could stabilize the internal resistance, however, the impacts of multiple ions on R-MDC performance was unclear. This study investigated the desalination performance, multiple ions migration behaviors and their impacts on R-MDCs fed with salt solution containing multiple anions and cations. Results showed that R-MDC removed multiple anions better than multiple cations with desalination efficiency of 99% (effluent conductivity <0.05 ms/cm) at hydraulic retention time of 50 h. Competitive migration order was SO4(2-)>NO3(-)>Cl(-) for anions and Ca(2+)≈Mg(2+)>NH4(+)>Na(+) for cations, jointly affected by both their molar conductivity and exchange selectivity on resins. After long-term operation, the existence of higher concentration Ca(2+) and Mg(2+) caused the electric conductivity of mixed resins decrease and scaling on the surface of cation-exchange membrane adjoined with cathode chamber, suggesting that R-MDC would be more suitable for desalination of water with lower hardness. Copyright © 2013 Elsevier Ltd. All rights reserved.

Successive pretreatment and enzymatic saccharification of sugarcane bagasse in a packed bed flow-through column reactor aiming to support biorefineries.

PubMed

Terán-Hilares, R; Reséndiz, A L; Martínez, R T; Silva, S S; Santos, J C

2016-03-01

A packed bed flow-through column reactor (PBFTCR) was used for pretreatment and subsequent enzymatic hydrolysis of sugarcane bagasse (SCB). Alkaline pretreatment was performed at 70 °C for 4h with fresh 0.3M NaOH solution or with liquor recycled from a previous pretreatment batch. Scheffersomyces stipitis NRRL-Y7124 was used for fermentation of sugars released after enzymatic hydrolysis (20 FPU g(-1) of dry SCB). The highest results for lignin removal were 61% and 52%, respectively, observed when using fresh NaOH or the first reuse of the liquor. About 50% of cellulosic and 57% of hemicellulosic fractions of pretreated SCBs were enzymatically hydrolyzed and the maximum ethanol production was 23.4 g L(-1) (ethanol yield of 0.4 gp gs(-1)), with near complete consumption of both pentoses and hexoses present in the hydrolysate during the fermentation. PBFTCR as a new alternative for SCB-biorefineries is presented, mainly considering its simple configuration and efficiency for operating with a high solid:liquid ratio. Copyright © 2015 Elsevier Ltd. All rights reserved.

Calibration of micromechanical parameters for DEM simulations by using the particle filter

NASA Astrophysics Data System (ADS)

Cheng, Hongyang; Shuku, Takayuki; Thoeni, Klaus; Yamamoto, Haruyuki

2017-06-01

The calibration of DEM models is typically accomplished by trail and error. However, the procedure lacks of objectivity and has several uncertainties. To deal with these issues, the particle filter is employed as a novel approach to calibrate DEM models of granular soils. The posterior probability distribution of the microparameters that give numerical results in good agreement with the experimental response of a Toyoura sand specimen is approximated by independent model trajectories, referred as `particles', based on Monte Carlo sampling. The soil specimen is modeled by polydisperse packings with different numbers of spherical grains. Prepared in `stress-free' states, the packings are subjected to triaxial quasistatic loading. Given the experimental data, the posterior probability distribution is incrementally updated, until convergence is reached. The resulting `particles' with higher weights are identified as the calibration results. The evolutions of the weighted averages and posterior probability distribution of the micro-parameters are plotted to show the advantage of using a particle filter, i.e., multiple solutions are identified for each parameter with known probabilities of reproducing the experimental response.

Determination of the profile of DO and its mass transferring coefficient in a biofilm reactor packed with semi-suspended bio-carriers.

PubMed

Tang, Bing; Song, Haoliang; Bin, Liying; Huang, Shaosong; Zhang, Wenxiang; Fu, Fenglian; Zhao, Yiliang; Chen, Qianyu

2017-10-01

The work aims at illustrating the profile of DO and its mass transferring process in a biofilm reactor packed with a novel semi-suspended bio-carrier, and further revealing the main factors that influence the mass transferring coefficient of DO within the biofilm. Results showed that the biofilm was very easy to attach and grow on the semi-suspended bio-carrier, which obviously changed the DO profile inside and outside the biofilm. The semi-suspended bio-carrier caused three different mass transfer zones occurring in the bioreactor, including the zones of bulk solution, boundary layer and biofilm, in which, the boundary layer zone had an obvious higher mass transfer resistance. Increasing the aeration rate might improve the hydrodynamic conditions in the bioreactor and accelerate the mass transfer of DO, but it also detached the biofilm from the surface of bio-carrier, which reduced the consumption of DO, and accordingly, decreased the DO gradient in the bioreactor. Copyright © 2017 Elsevier Ltd. All rights reserved.

Isomeric organic semiconductors containing fused-thiophene cores: molecular packing and charge transport.

PubMed

Dang, Dongfeng; Zhou, Pei; Wu, Yong; Xu, Yanzi; Zhi, Ying; Zhu, Weiguo

2018-05-16

Isomeric TF1 and TF2 with highly fused thiophene cores were designed and synthesized here, in which a highly planar molecular structure was obtained for TF1 with the face-to-face sulfur atoms in the lateral region and a twisted molecular backbone was observed for TF2 with the back-to-back sulfur atoms. It is worth noting that different intermolecular interactions dominated in TF1 and TF2 caused by their isomeric thiophene cores, in which strong π-π stacking was achieved for TF1, whereas sulphur-involved nonbonding intermolecular interactions dominated in TF2, leading to the different fluorescence behaviors and also the altered liquid crystalline phases. Finally, typical P-type charge transport behaviors were achieved in both TF1- and TF2-based solution-processed OFETs. Also owing to the much ordered molecular packing in TF1, a higher charge carrier mobility of 3.7 × 10-3 cm2 V-1 s-1 was achieved for TF1-based OFETs compared to TF2-based OFETs.

Establishing column batch repeatability according to Quality by Design (QbD) principles using modeling software.

PubMed

Rácz, Norbert; Kormány, Róbert; Fekete, Jenő; Molnár, Imre

2015-04-10

Column technology needs further improvement even today. To get information of batch-to-batch repeatability, intelligent modeling software was applied. Twelve columns from the same production process, but from different batches were compared in this work. In this paper, the retention parameters of these columns with real life sample solutes were studied. The following parameters were selected for measurements: gradient time, temperature and pH. Based on calculated results, batch-to-batch repeatability of BEH columns was evaluated. Two parallel measurements on two columns from the same batch were performed to obtain information about the quality of packing. Calculating the average of individual working points at the highest critical resolution (R(s,crit)) it was found that the robustness, calculated with a newly released robustness module, had a success rate >98% among the predicted 3(6) = 729 experiments for all 12 columns. With the help of retention modeling all substances could be separated independently from the batch and/or packing, using the same conditions, having high robustness of the experiments. Copyright © 2015 Elsevier B.V. All rights reserved.

Bit-Grooming: Shave Your Bits with Razor-sharp Precision

NASA Astrophysics Data System (ADS)

Zender, C. S.; Silver, J.

2017-12-01

Lossless compression can reduce climate data storage by 30-40%. Further reduction requires lossy compression that also reduces precision. Fortunately, geoscientific models and measurements generate false precision (scientifically meaningless data bits) that can be eliminated without sacrificing scientifically meaningful data. We introduce Bit Grooming, a lossy compression algorithm that removes the bloat due to false-precision, those bits and bytes beyond the meaningful precision of the data.Bit Grooming is statistically unbiased, applies to all floating point numbers, and is easy to use. Bit-Grooming reduces geoscience data storage requirements by 40-80%. We compared Bit Grooming to competitors Linear Packing, Layer Packing, and GRIB2/JPEG2000. The other compression methods have the edge in terms of compression, but Bit Grooming is the most accurate and certainly the most usable and portable.Bit Grooming provides flexible and well-balanced solutions to the trade-offs among compression, accuracy, and usability required by lossy compression. Geoscientists could reduce their long term storage costs, and show leadership in the elimination of false precision, by adopting Bit Grooming.

INNOVATIVE MIOR PROCESS UTILIZING INDIGENOUS RESERVOIR CONSTITUENTS

DOE Office of Scientific and Technical Information (OSTI.GOV)

D.O. Hitzman; S.A. Bailey

This research program is directed at improving the knowledge of reservoir ecology and developing practical microbial solutions for improving oil production. The goal is to identify indigenous microbial populations which can produce beneficial metabolic products and develop a methodology to stimulate those select microbes with inorganic nutrient amendments to increase oil recovery.This microbial technology has the capability of producing multiple oil releasing agents. The potential of the system will be illustrated and demonstrated by the example of biopolymer production on oil recovery. Research has begun on the program and experimental laboratory work is underway. Polymer-producing cultures have been isolated frommore » produced water samples and initially characterized. Concurrently, a microcosm scale sand-packed column has been designed and developed for testing cultures of interest, including polymer-producing strains. In research that is planned to begin in future work, comparative laboratory studies demonstrating in situ production of microbial products as oil recovery agents will be conducted in sand pack and cores with synthetic and natural field waters at concentrations, flooding rates, and with cultures and conditions representative of oil reservoirs.« less

Electrophobic interaction induced impurity clustering in metals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhou, Hong-Bo; Wang, Jin-Long; Jiang, W.

2016-10-01

We introduce the concept of electrophobic interaction, analogous to hydrophobic interaction, for describing the behavior of impurity atoms in a metal, a 'solvent of electrons'. We demonstrate that there exists a form of electrophobic interaction between impurities with closed electron shell structure, which governs their dissolution behavior in a metal. Using He, Be and Ar as examples, we predict by first-principles calculations that the electrophobic interaction drives He, Be or Ar to form a close-packed cluster with a clustering energy that follows a universal power-law scaling with the number of atoms (N) dissolved in a free electron gas, as wellmore » as W or Al lattice, as Ec is proportional to (N2/3-N). This new concept unifies the explanation for a series of experimental observations of close-packed inert-gas bubble formation in metals, and significantly advances our fundamental understanding and capacity to predict the solute behavior of impurities in metals, a useful contribution to be considered in future material design of metals for nuclear, metallurgical, and energy applications.« less

TRENDS: The aeronautical post-test database management system

NASA Technical Reports Server (NTRS)

Bjorkman, W. S.; Bondi, M. J.

1990-01-01

TRENDS, an engineering-test database operating system developed by NASA to support rotorcraft flight tests, is described. Capabilities and characteristics of the system are presented, with examples of its use in recalling and analyzing rotorcraft flight-test data from a TRENDS database. The importance of system user-friendliness in gaining users' acceptance is stressed, as is the importance of integrating supporting narrative data with numerical data in engineering-test databases. Considerations relevant to the creation and maintenance of flight-test database are discussed and TRENDS' solutions to database management problems are described. Requirements, constraints, and other considerations which led to the system's configuration are discussed and some of the lessons learned during TRENDS' development are presented. Potential applications of TRENDS to a wide range of aeronautical and other engineering tests are identified.