Materials Selection. Resources in Technology.

ERIC Educational Resources Information Center

Technology Teacher, 1991

1991-01-01

This learning activity develops algorithms to ensure that the process of selecting materials is well defined and sound. These procedures require the use of many databases to provide the designer with information such as physical, mechanical, and chemical properties of the materials under consideration. A design brief, student quiz, and five…

Development of a material property database on selected ceramic matrix composite materials

NASA Technical Reports Server (NTRS)

Mahanta, Kamala

1996-01-01

Ceramic Matrix Composites, with fiber/whisker/particulate reinforcement, possess the attractive properties of ceramics such as high melting temperature, high strength and stiffness at high temperature, low density, excellent environmental resistance, combined with improved toughness and mechanical reliability. These unique properties have made these composites an enabling technology for thermomechanically demanding applications in high temperature, high stress and aggressive environments. On a broader scale, CMC's are anticipated to be applicable in aircraft propulsion, space propulsion, power and structures, in addition to ground based applications. However, it is also true that for any serious commitment of the material toward any of the intended critical thermo-mechanical applications to materialize, vigorous research has to be conducted for a thorough understanding of the mechanical and thermal behavior of CMC's. The high technology of CMC'S is far from being mature. In view of this growing need for CMC data, researchers all over the world have found themselves drawn into the characterization of CMC's such as C/SiC, SiC/SiC, SiC/Al203, SiC/Glass, SiC/C, SiC/Blackglas. A significant amount of data has been generated by the industries, national laboratories and educational institutions in the United States of America. NASA/Marshall Space Flight Center intends to collect the 'pedigreed' CMC data and store those in a CMC database within MAPTIS (Materials and Processes Technical Information System). The task of compilation of the CMC database is a monumental one and requires efforts in various directions. The project started in the form of a summer faculty fellowship in 1994 and has spilled into the months that followed and into the summer faculty fellowship of 1995 and has the prospect of continuing into the future for a healthy growth, which of course depends to a large extent on how fast CMC data are generated. The 10-week long summer fellowship has concentrated, basically, on establishing the procedure for a smooth transfer of data into a CMC database on MAPTIS which is a vital part of the following broader picture of the project.

Assessment of aggregate quality and petrographic properties' influence on rock quality: A case study from Nordland county, Norway

NASA Astrophysics Data System (ADS)

Kløve Keiding, Jakob; Erichsen, Eyolf; Heldal, Tom; Aslaksen Aasly, Kari

2017-04-01

Good access to construction materials is crucial for future infrastructure development and continued economic growth. In Norway >80 % of construction materials come from crushed aggregates and represent an growing share of the consumption. Although recycling to some extend can cover the need for construction materials, economic growth, increasing population and urbanization necessitates exploitation of new rock resources in Norway as well as many other parts of the world. Aggregates must fulfill a number of technical requirements to ensure high quality and long life expectancy of new roads, buildings and structures. Aggregates also have to be extracted near the consumer market. Particularly for road construction strict criteria are in place for wearing course for roads with high traffic density. Thus knowledge of mechanical rock quality is paramount for both exploitation as well as future resource and land-use planning but is often not assessed or mapped beyond the quarry scale. The Geological survey of Norway runs a database with information about crushed aggregate deposits from >1500 Norwegian quarries and sample sites. Here we use mechanical test analyses from the database to assess the aggregate quality in the Nordland county, Norway. Maps have been produced linking bed rock geology with rock quality parameters. The survey documents that the county is challenged in meeting the requirements for roads with high traffic density and especially in the middle parts of the county many samples have weak mechanical properties. This to some degree reflect that weak Cambro-Silurian rocks like phyllite, schist, carbonate and greenstone are abundant in Nordland. Typically mechanically stronger rock types such as gabbro, monzonite and granite are also exposed in large parts of the county, but are also characterized by relative poor or very variable mechanical test quality. Preliminary results indicate that many intrinsic parameters influence the mechanical rock strength, but variable degrees of deformation in the different tectonostratigraphic units exposed in Nordland affects the rock mechanical properties and is a prominent feature of our mapping. Unsurprisingly rock type, mineralogy, grain size and rock texture are all important factors that have a major control on the mechanical behaviour of the rocks. However, this assessment shows that there is an intricate interaction between these parameters and the resulting mechanical properties at present making it difficult to assess mechanical quality accurately only based on petrographic examination.

The quantum-mechanical approach to construction of quantitative assessments of some documentary information properties (on example of nuclear knowledge)

NASA Astrophysics Data System (ADS)

Lebedev, A. A.; Maksimov, N. V.; Smirnova, E. V.

2017-01-01

The paper presents a model of information interactions, based on a probabilistic concept of meanings. The proposed hypothesis about the wave nature of information and use of quantum mechanics mathematical apparatus allow to consider the phenomena of interference and diffraction with respect to the linguistic variables, and to quantify dynamics of terms in subject areas. Retrospective database INIS IAEA was used as an experimental base.

Microbial properties database editor tutorial

USDA-ARS?s Scientific Manuscript database

A Microbial Properties Database Editor (MPDBE) has been developed to help consolidate microbialrelevant data to populate a microbial database and support a database editor by which an authorized user can modify physico-microbial properties related to microbial indicators and pathogens. Physical prop...

Microbial Properties Database Editor Tutorial

EPA Science Inventory

A Microbial Properties Database Editor (MPDBE) has been developed to help consolidate microbial-relevant data to populate a microbial database and support a database editor by which an authorized user can modify physico-microbial properties related to microbial indicators and pat...

Fibrous tissues growth and remodeling: Evolutionary micro-mechanical theory

NASA Astrophysics Data System (ADS)

Lanir, Yoram

2017-10-01

Living fibrous tissues are composite materials having the unique ability to adapt their size, shape, structure and mechanical properties in response to external loading. This adaptation, termed growth and remodeling (G&R), occurs throughout life and is achieved via cell-induced turnover of tissue constituents where some are degraded and new ones are produced. Realistic mathematical modeling of G&R provides insight into the basic processes, allows for hypotheses testing, and constitutes an essential tool for establishing clinical thresholds of pathological remodeling and for the production of tissue substitutes aimed to achieve target structure and properties. In this study, a general 3D micro-mechanical multi-scale theory of G&R in fibrous tissue was developed which connects between the evolution of the tissue structure and properties, and the underlying mechano-biological turnover events of its constituents. This structural approach circumvents a fundamental obstacle in modeling growth mechanics since the growth motion is not bijective. The model was realized for a flat tissue under two biaxial external loadings using data-based parameter values. The predictions show close similarity to characteristics of remodeled adult tissue including its structure, anisotropic and non-linear mechanical properties, and the onset of in situ pre-strain and pre-stress. The results suggest that these important features of living fibrous tissues evolve as they grow.

NIST/ASME Steam Properties Database

National Institute of Standards and Technology Data Gateway

SRD 10 NIST/ASME Steam Properties Database (PC database for purchase)   Based upon the International Association for the Properties of Water and Steam (IAPWS) 1995 formulation for the thermodynamic properties of water and the most recent IAPWS formulations for transport and other properties, this updated version provides water properties over a wide range of conditions according to the accepted international standards.

Multimedia explorer: image database, image proxy-server and search-engine.

PubMed Central

Frankewitsch, T.; Prokosch, U.

1999-01-01

Multimedia plays a major role in medicine. Databases containing images, movies or other types of multimedia objects are increasing in number, especially on the WWW. However, no good retrieval mechanism or search engine currently exists to efficiently track down such multimedia sources in the vast of information provided by the WWW. Secondly, the tools for searching databases are usually not adapted to the properties of images. HTML pages do not allow complex searches. Therefore establishing a more comfortable retrieval involves the use of a higher programming level like JAVA. With this platform independent language it is possible to create extensions to commonly used web browsers. These applets offer a graphical user interface for high level navigation. We implemented a database using JAVA objects as the primary storage container which are then stored by a JAVA controlled ORACLE8 database. Navigation depends on a structured vocabulary enhanced by a semantic network. With this approach multimedia objects can be encapsulated within a logical module for quick data retrieval. PMID:10566463

Multimedia explorer: image database, image proxy-server and search-engine.

PubMed

Frankewitsch, T; Prokosch, U

1999-01-01

Multimedia plays a major role in medicine. Databases containing images, movies or other types of multimedia objects are increasing in number, especially on the WWW. However, no good retrieval mechanism or search engine currently exists to efficiently track down such multimedia sources in the vast of information provided by the WWW. Secondly, the tools for searching databases are usually not adapted to the properties of images. HTML pages do not allow complex searches. Therefore establishing a more comfortable retrieval involves the use of a higher programming level like JAVA. With this platform independent language it is possible to create extensions to commonly used web browsers. These applets offer a graphical user interface for high level navigation. We implemented a database using JAVA objects as the primary storage container which are then stored by a JAVA controlled ORACLE8 database. Navigation depends on a structured vocabulary enhanced by a semantic network. With this approach multimedia objects can be encapsulated within a logical module for quick data retrieval.

Morphology and microstructure of composite materials

NASA Technical Reports Server (NTRS)

Tiwari, S. N.; Srinivansan, K.

1991-01-01

Lightweight continuous carbon fiber based polymeric composites are currently enjoying increasing acceptance as structural materials capable of replacing metals and alloys in load bearing applications. As with most new materials, these composites are undergoing trials with several competing processing techniques aimed at cost effectively producing void free consolidations with good mechanical properties. As metallic materials have been in use for several centuries, a considerable database exists on their morphology - microstructure; and the interrelationships between structure and properties have been well documented. Numerous studies on composites have established the crucial relationship between microstructure - morphology and properties. The various microstructural and morphological features of composite materials, particularly those accompanying different processing routes, are documented.

Interlaboratory round robin study on axial tensile properties of SiC-SiC CMC tubular test specimens [Interlaboratory round robin study on axial tensile properties of SiC/SiC tubes

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

Singh, Gyanender P.; Gonczy, Steve T.; Deck, Christian P.

An interlaboratory round robin study was conducted on the tensile strength of SiC–SiC ceramic matrix composite (CMC) tubular test specimens at room temperature with the objective of expanding the database of mechanical properties of nuclear grade SiC–SiC and establishing the precision and bias statement for standard test method ASTM C1773. The mechanical properties statistics from the round robin study and the precision statistics and precision statement are presented herein. The data show reasonable consistency across the laboratories, indicating that the current C1773–13 ASTM standard is adequate for testing ceramic fiber reinforced ceramic matrix composite tubular test specimen. Furthermore, it wasmore » found that the distribution of ultimate tensile strength data was best described with a two–parameter Weibull distribution, while a lognormal distribution provided a good description of the distribution of proportional limit stress data.« less

Interlaboratory round robin study on axial tensile properties of SiC-SiC CMC tubular test specimens [Interlaboratory round robin study on axial tensile properties of SiC/SiC tubes

DOE PAGES

Singh, Gyanender P.; Gonczy, Steve T.; Deck, Christian P.; ...

2018-04-19

An interlaboratory round robin study was conducted on the tensile strength of SiC–SiC ceramic matrix composite (CMC) tubular test specimens at room temperature with the objective of expanding the database of mechanical properties of nuclear grade SiC–SiC and establishing the precision and bias statement for standard test method ASTM C1773. The mechanical properties statistics from the round robin study and the precision statistics and precision statement are presented herein. The data show reasonable consistency across the laboratories, indicating that the current C1773–13 ASTM standard is adequate for testing ceramic fiber reinforced ceramic matrix composite tubular test specimen. Furthermore, it wasmore » found that the distribution of ultimate tensile strength data was best described with a two–parameter Weibull distribution, while a lognormal distribution provided a good description of the distribution of proportional limit stress data.« less

Tensile Properties of Polymeric Matrix Composites Subjected to Cryogenic Environments

NASA Technical Reports Server (NTRS)

Whitley, Karen S.; Gates, Thomas S.

2004-01-01

Polymer matrix composites (PMC s) have seen limited use as structural materials in cryogenic environments. One reason for the limited use of PMC s in cryogenic structures is a design philosophy that typically requires a large, validated database of material properties in order to ensure a reliable and defect free structure. It is the intent of this paper to provide an initial set of mechanical properties developed from experimental data of an advanced PMC (IM7/PETI-5) exposed to cryogenic temperatures and mechanical loading. The application of this data is to assist in the materials down-select and design of cryogenic fuel tanks for future reusable space vehicles. The details of the material system, test program, and experimental methods will be outlined. Tension modulus and strength were measured at room temperature, -196 C, and -269 C on five different laminates. These properties were also tested after aging at -186 C with and without loading applied. Microcracking was observed in one laminate.

Immediate effect of exercise on achilles tendon properties: systematic review.

PubMed

Obst, Steven J; Barrett, Rod S; Newsham-West, Richard

2013-08-01

Understanding the mechanical and morphological adaptation of the Achilles tendon (AT) in response to acute exercise could have important implications for athletic performance, injury prevention, and rehabilitation. The purpose of this study was to conduct a systematic review and critical evaluation of the literature to determine the immediate effect of a single bout of exercise on the mechanical and morphological properties of the AT in vivo. Five electronic research databases were systematically searched for intervention-based studies reporting mechanical and morphological properties of the AT after a single bout of exercise. Searches revealed 3292 possible articles; 21 met the inclusion criteria. There is evidence that maximal isometric contractions and prolonged static stretching (>5 min) of the triceps surae complex cause an immediate decrease in AT stiffness, whereas prolonged running and hopping have minimal effect. Limited but consistent evidence exists, indicating that AT hysteresis is reduced after prolonged static stretching. Consistent evidence supports a reduction in free AT diameter (anterior-posterior) after dynamic ankle exercise, and this change appears most pronounced in the healthy tendon and after eccentric exercise. The mechanical and morphological properties of the AT in vivo are affected by acute exercise in a mode- and dose-dependent manner. Transient changes in AT stiffness, hysteresis, and diameter after unaccustomed exercise modes and doses may expose the tendon to increased risk of strain injury and impact on the mechanical function of the triceps surae muscle-tendon unit.

The MPI Emotional Body Expressions Database for Narrative Scenarios

PubMed Central

Volkova, Ekaterina; de la Rosa, Stephan; Bülthoff, Heinrich H.; Mohler, Betty

2014-01-01

Emotion expression in human-human interaction takes place via various types of information, including body motion. Research on the perceptual-cognitive mechanisms underlying the processing of natural emotional body language can benefit greatly from datasets of natural emotional body expressions that facilitate stimulus manipulation and analysis. The existing databases have so far focused on few emotion categories which display predominantly prototypical, exaggerated emotion expressions. Moreover, many of these databases consist of video recordings which limit the ability to manipulate and analyse the physical properties of these stimuli. We present a new database consisting of a large set (over 1400) of natural emotional body expressions typical of monologues. To achieve close-to-natural emotional body expressions, amateur actors were narrating coherent stories while their body movements were recorded with motion capture technology. The resulting 3-dimensional motion data recorded at a high frame rate (120 frames per second) provides fine-grained information about body movements and allows the manipulation of movement on a body joint basis. For each expression it gives the positions and orientations in space of 23 body joints for every frame. We report the results of physical motion properties analysis and of an emotion categorisation study. The reactions of observers from the emotion categorisation study are included in the database. Moreover, we recorded the intended emotion expression for each motion sequence from the actor to allow for investigations regarding the link between intended and perceived emotions. The motion sequences along with the accompanying information are made available in a searchable MPI Emotional Body Expression Database. We hope that this database will enable researchers to study expression and perception of naturally occurring emotional body expressions in greater depth. PMID:25461382

Large scale simulations of the mechanical properties of layered transition metal ternary compounds for fossil energy power system applications

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

Ching, Wai-Yim

2014-12-31

Advanced materials with applications in extreme conditions such as high temperature, high pressure, and corrosive environments play a critical role in the development of new technologies to significantly improve the performance of different types of power plants. Materials that are currently employed in fossil energy conversion systems are typically the Ni-based alloys and stainless steels that have already reached their ultimate performance limits. Incremental improvements are unlikely to meet the more stringent requirements aimed at increased efficiency and reduce risks while addressing environmental concerns and keeping costs low. Computational studies can lead the way in the search for novel materialsmore » or for significant improvements in existing materials that can meet such requirements. Detailed computational studies with sufficient predictive power can provide an atomistic level understanding of the key characteristics that lead to desirable properties. This project focuses on the comprehensive study of a new class of materials called MAX phases, or Mn+1AXn (M = a transition metal, A = Al or other group III, IV, and V elements, X = C or N). The MAX phases are layered transition metal carbides or nitrides with a rare combination of metallic and ceramic properties. Due to their unique structural arrangements and special types of bonding, these thermodynamically stable alloys possess some of the most outstanding properties. We used a genomic approach in screening a large number of potential MAX phases and established a database for 665 viable MAX compounds on the structure, mechanical and electronic properties and investigated the correlations between them. This database if then used as a tool for materials informatics for further exploration of this class of intermetallic compounds.« less

Scales for evaluating self-perceived anxiety levels in patients admitted to intensive care units: a review.

PubMed

Perpiñá-Galvañ, Juana; Richart-Martínez, Miguel

2009-11-01

To review studies of anxiety in critically ill patients admitted to an intensive care unit to describe the level of anxiety and synthesize the psychometric properties of the instruments used to measure anxiety. The CUIDEN, IME, ISOC, CINAHL, MEDLINE, and PSYCINFO databases for 1995 to 2005 were searched. The search focused on 3 concepts: anxiety, intensive care, and mechanical ventilation for the English-language databases and ansiedad, cuidados intensivos, and ventilación mecánica for the Spanish-language databases. Information was extracted from 18 selected articles on the level of anxiety experienced by patients and the psychometric properties of the instruments used to measure anxiety. Moderate levels of anxiety were reported. Levels were higher in women than in men, and higher in patients undergoing positive pressure ventilation regardless of sex. Most multi-item instruments had high coefficients of internal consistency. The reliability of instruments with only a single item was not demonstrated, even though the instruments had moderate-to-high correlations with other measurements. Midlength scales, such the anxiety subscale of the Brief Symptom Inventory or the shortened state version of the State-Trait Anxiety Inventory are best for measuring anxiety in critical care patients.

Blending Education and Polymer Science: Semiautomated Creation of a Thermodynamic Property Database

ERIC Educational Resources Information Center

Tchoua, Roselyne B.; Qin, Jian; Audus, Debra J.; Chard, Kyle; Foster, Ian T.; de Pablo, Juan

2016-01-01

Structured databases of chemical and physical properties play a central role in the everyday research activities of scientists and engineers. In materials science, researchers and engineers turn to these databases to quickly query, compare, and aggregate various properties, thereby allowing for the development or application of new materials. The…

Medicinal plants in the treatment of Helicobacter pylori infections.

PubMed

Safavi, Maliheh; Shams-Ardakani, Mohammadreza; Foroumadi, Alireza

2015-07-01

Helicobacter pylori is a small, spiral, Gram-negative bacillus that plays a role in the pathogenesis of a number of diseases ranging from asymptomatic gastritis to gastric cancer. Schedule compliance, antibiotic drug resistance, and side-effects of triple or quadruple therapy have led to research for novel candidates from plants. The purpose of this paper is to review the most potent medicinal plants of recently published literature with anti-H. pylori activity. For centuries, herbals have been used by traditional healers around the world to treat various gastrointestinal tract disorders such as dyspepsia, gastritis, and peptic ulcer disease. The mechanism of action by which these botanicals exert their therapeutic properties has not been completely and clearly elucidated. Anti-H. pylori properties may be one of the possible mechanisms by which gastroprotective herbs treat gastrointestinal tract disorders. Electronic databases such as PubMed, Google scholar, EBSCO, and local databases were explored for medicinal plants with anti-H. pylori properties between 1984 and 2013 using key words "medicinal plants" and "Helicobacter pylori" or "anti-Helicobacter pylori". A total of 43 medicinal plant species belonging to 27 families including Amaryllidaceae, Anacardiaceae, Apiaceae, Apocynaceae, Asclepiadoideae, Asteraceae, Bignoniaceae, Clusiaceae, Chancapiedra, Combretaceae, Cyperaceae, Euphorbiaceae, Fabaceae, Geraniaceae, Lamiaceae, Lauraceae, Lythraceae, Menispermaceae, Myristicaceae, Myrtaceae, Oleaceae, Papaveraceae, Plumbaginaceae, Poaceae, Ranunculaceae, Rosaceae, and Theaceae were studied as herbs with potent anti-H. pylori effects. Traditional folk medicinal use of some of these plants to treat gastric infections is substantiated by the antibacterial activity of their extracts against H. pylori.

Upgrades to the TPSX Material Properties Database

NASA Technical Reports Server (NTRS)

Squire, T. H.; Milos, F. S.; Partridge, Harry (Technical Monitor)

2001-01-01

The TPSX Material Properties Database is a web-based tool that serves as a database for properties of advanced thermal protection materials. TPSX provides an easy user interface for retrieving material property information in a variety of forms, both graphical and text. The primary purpose and advantage of TPSX is to maintain a high quality source of often used thermal protection material properties in a convenient, easily accessible form, for distribution to government and aerospace industry communities. Last year a major upgrade to the TPSX web site was completed. This year, through the efforts of researchers at several NASA centers, the Office of the Chief Engineer awarded funds to update and expand the databases in TPSX. The FY01 effort focuses on updating correcting the Ames and Johnson thermal protection materials databases. In this session we will summarize the improvements made to the web site last year, report on the status of the on-going database updates, describe the planned upgrades for FY02 and FY03, and provide a demonstration of TPSX.

A polarimetric scattering database for non-spherical ice particles at microwave wavelengths

NASA Astrophysics Data System (ADS)

Lu, Yinghui; Jiang, Zhiyuan; Aydin, Kultegin; Verlinde, Johannes; Clothiaux, Eugene E.; Botta, Giovanni

2016-10-01

The atmospheric science community has entered a period in which electromagnetic scattering properties at microwave frequencies of realistically constructed ice particles are necessary for making progress on a number of fronts. One front includes retrieval of ice-particle properties and signatures from ground-based, airborne, and satellite-based radar and radiometer observations. Another front is evaluation of model microphysics by application of forward operators to their outputs and comparison to observations during case study periods. Yet a third front is data assimilation, where again forward operators are applied to databases of ice-particle scattering properties and the results compared to observations, with their differences leading to corrections of the model state. Over the past decade investigators have developed databases of ice-particle scattering properties at microwave frequencies and made them openly available. Motivated by and complementing these earlier efforts, a database containing polarimetric single-scattering properties of various types of ice particles at millimeter to centimeter wavelengths is presented. While the database presented here contains only single-scattering properties of ice particles in a fixed orientation, ice-particle scattering properties are computed for many different directions of the radiation incident on them. These results are useful for understanding the dependence of ice-particle scattering properties on ice-particle orientation with respect to the incident radiation. For ice particles that are small compared to the wavelength, the number of incident directions of the radiation is sufficient to compute reasonable estimates of their (randomly) orientation-averaged scattering properties. This database is complementary to earlier ones in that it contains complete (polarimetric) scattering property information for each ice particle - 44 plates, 30 columns, 405 branched planar crystals, 660 aggregates, and 640 conical graupel - and direction of incident radiation but is limited to four frequencies (X-, Ku-, Ka-, and W-bands), does not include temperature dependencies of the single-scattering properties, and does not include scattering properties averaged over randomly oriented ice particles. Rules for constructing the morphologies of ice particles from one database to the next often differ; consequently, analyses that incorporate all of the different databases will contain the most variability, while illuminating important differences between them. Publication of this database is in support of future analyses of this nature and comes with the hope that doing so helps contribute to the development of a database standard for ice-particle scattering properties, like the NetCDF (Network Common Data Form) CF (Climate and Forecast) or NetCDF CF/Radial metadata conventions.

The shear instability energy: a new parameter for materials design?

NASA Astrophysics Data System (ADS)

Kanani, M.; Hartmaier, A.; Janisch, R.

2017-10-01

Reliable and predictive relationships between fundamental microstructural material properties and observable macroscopic mechanical behaviour are needed for the successful design of new materials. In this study we establish a link between physical properties that are defined on the atomic level and the deformation mechanisms of slip planes and interfaces that govern the mechanical behaviour of a metallic material. To accomplish this, the shear instability energy Γ is introduced, which can be determined via quantum mechanical ab initio calculations or other atomistic methods. The concept is based on a multilayer generalised stacking fault energy calculation and can be applied to distinguish the different shear deformation mechanisms occurring at TiAl interfaces during finite-temperature molecular dynamics simulations. We use the new parameter Γ to construct a deformation mechanism map for different interfaces occurring in this intermetallic. Furthermore, Γ can be used to convert the results of ab initio density functional theory calculations into those obtained with an embedded atom method type potential for TiAl. We propose to include this new physical parameter into material databases to apply it for the design of materials and microstructures, which so far mainly relies on single-crystal values for the unstable and stable stacking fault energy.

Reliability of the Defense Commissary Agency Personnel Property Database.

DTIC Science & Technology

2000-02-18

Departments’ personal property databases. The tests were designed to validate the personal property databases. This report is the second in a series of...with the completeness of its data , and key data elements were not reliable for estimating the historical costs of real property for the Military...values of greater than $100,000. However, some of the Military Departments had problems with the completeness of its data , and key data elements

High-quality unsaturated zone hydraulic property data for hydrologic applications

USGS Publications Warehouse

Perkins, Kimberlie; Nimmo, John R.

2009-01-01

In hydrologic studies, especially those using dynamic unsaturated zone moisture modeling, calculations based on property transfer models informed by hydraulic property databases are often used in lieu of measured data from the site of interest. Reliance on database-informed predicted values has become increasingly common with the use of neural networks. High-quality data are needed for databases used in this way and for theoretical and property transfer model development and testing. Hydraulic properties predicted on the basis of existing databases may be adequate in some applications but not others. An obvious problem occurs when the available database has few or no data for samples that are closely related to the medium of interest. The data set presented in this paper includes saturated and unsaturated hydraulic conductivity, water retention, particle-size distributions, and bulk properties. All samples are minimally disturbed, all measurements were performed using the same state of the art techniques and the environments represented are diverse.

MMA-EoS: A Computational Framework for Mineralogical Thermodynamics

NASA Astrophysics Data System (ADS)

Chust, T. C.; Steinle-Neumann, G.; Dolejš, D.; Schuberth, B. S. A.; Bunge, H.-P.

2017-12-01

We present a newly developed software framework, MMA-EoS, that evaluates phase equilibria and thermodynamic properties of multicomponent systems by Gibbs energy minimization, with application to mantle petrology. The code is versatile in terms of the equation-of-state and mixing properties and allows for the computation of properties of single phases, solution phases, and multiphase aggregates. Currently, the open program distribution contains equation-of-state formulations widely used, that is, Caloric-Murnaghan, Caloric-Modified-Tait, and Birch-Murnaghan-Mie-Grüneisen-Debye models, with published databases included. Through its modular design and easily scripted database, MMA-EoS can readily be extended with new formulations of equations-of-state and changes or extensions to thermodynamic data sets. We demonstrate the application of the program by reproducing and comparing physical properties of mantle phases and assemblages with previously published work and experimental data, successively increasing complexity, up to computing phase equilibria of six-component compositions. Chemically complex systems allow us to trace the budget of minor chemical components in order to explore whether they lead to the formation of new phases or extend stability fields of existing ones. Self-consistently computed thermophysical properties for a homogeneous mantle and a mechanical mixture of slab lithologies show no discernible differences that require a heterogeneous mantle structure as has been suggested previously. Such examples illustrate how thermodynamics of mantle mineralogy can advance the study of Earth's interior.

Reference Fluid Thermodynamic and Transport Properties Database (REFPROP)

National Institute of Standards and Technology Data Gateway

SRD 23 NIST Reference Fluid Thermodynamic and Transport Properties Database (REFPROP) (PC database for purchase)   NIST 23 contains revised data in a Windows version of the database, including 105 pure fluids and allowing mixtures of up to 20 components. The fluids include the environmentally acceptable HFCs, traditional HFCs and CFCs and 'natural' refrigerants like ammonia

"TPSX: Thermal Protection System Expert and Material Property Database"

NASA Technical Reports Server (NTRS)

Squire, Thomas H.; Milos, Frank S.; Rasky, Daniel J. (Technical Monitor)

1997-01-01

The Thermal Protection Branch at NASA Ames Research Center has developed a computer program for storing, organizing, and accessing information about thermal protection materials. The program, called Thermal Protection Systems Expert and Material Property Database, or TPSX, is available for the Microsoft Windows operating system. An "on-line" version is also accessible on the World Wide Web. TPSX is designed to be a high-quality source for TPS material properties presented in a convenient, easily accessible form for use by engineers and researchers in the field of high-speed vehicle design. Data can be displayed and printed in several formats. An information window displays a brief description of the material with properties at standard pressure and temperature. A spread sheet window displays complete, detailed property information. Properties which are a function of temperature and/or pressure can be displayed as graphs. In any display the data can be converted from English to SI units with the click of a button. Two material databases included with TPSX are: 1) materials used and/or developed by the Thermal Protection Branch at NASA Ames Research Center, and 2) a database compiled by NASA Johnson Space Center 9JSC). The Ames database contains over 60 advanced TPS materials including flexible blankets, rigid ceramic tiles, and ultra-high temperature ceramics. The JSC database contains over 130 insulative and structural materials. The Ames database is periodically updated and expanded as required to include newly developed materials and material property refinements.

Composite materials for space applications

NASA Technical Reports Server (NTRS)

Rawal, Suraj P.; Misra, Mohan S.; Wendt, Robert G.

1990-01-01

The objectives of the program were to: generate mechanical, thermal, and physical property test data for as-fabricated advanced materials; design and fabricate an accelerated thermal cycling chamber; and determine the effect of thermal cycling on thermomechanical properties and dimensional stability of composites. In the current program, extensive mechanical and thermophysical property tests of various organic matrix, metal matrix, glass matrix, and carbon-carbon composites were conducted, and a reliable database was constructed for spacecraft material selection. Material property results for the majority of the as-fabricated composites were consistent with the predicted values, providing a measure of consolidation integrity attained during fabrication. To determine the effect of thermal cycling on mechanical properties, microcracking, and thermal expansion behavior, approximately 500 composite specimens were exposed to 10,000 cycles between -150 and +150 F. These specimens were placed in a large (18 cu ft work space) thermal cycling chamber that was specially designed and fabricated to simulate one year low earth orbital (LEO) thermal cycling in 20 days. With this rate of thermal cycling, this is the largest thermal cycling unit in the country. Material property measurements of the thermal cycled organic matrix composite laminate specimens exhibited less than 24 percent decrease in strength, whereas, the remaining materials exhibited less than 8 percent decrease in strength. The thermal expansion response of each of the thermal cycled specimens revealed significant reduction in hysteresis and residual strain, and the average CTE values were close to the predicted values.

In silico strategies for the selection of chelating compounds with potential application in metal-promoted neurodegenerative diseases

NASA Astrophysics Data System (ADS)

Rodríguez-Rodríguez, Cristina; Rimola, Albert; Alí-Torres, Jorge; Sodupe, Mariona; González-Duarte, Pilar

2011-01-01

The development of new strategies to find commercial molecules with promising biochemical features is a main target in the field of biomedicine chemistry. In this work we present an in silico-based protocol that allows identifying commercial compounds with suitable metal coordinating and pharmacokinetic properties to act as metal-ion chelators in metal-promoted neurodegenerative diseases (MpND). Selection of the chelating ligands is done by combining quantum chemical calculations with the search of commercial compounds on different databases via virtual screening. Starting from different designed molecular frameworks, which mainly constitute the binding site, the virtual screening on databases facilitates the identification of different commercial molecules that enclose such scaffolds and, by imposing a set of chemical and pharmacokinetic filters, obey some drug-like requirements mandatory to deal with MpND. The quantum mechanical calculations are useful to gauge the chelating properties of the selected candidate molecules by determining the structure of metal complexes and evaluating their stability constants. With the proposed strategy, commercial compounds containing N and S donor atoms in the binding sites and capable to cross the BBB have been identified and their chelating properties analyzed.

Cardiovascular Outcomes and the Physical and Chemical Properties of Metal Ions Found in Particulate Matter Air Pollution: A QICAR Study

PubMed Central

Meng, Qingyu; Lu, Shou-En; Buckley, Barbara; Welsh, William J.; Whitsel, Eric A.; Hanna, Adel; Yeatts, Karin B.; Warren, Joshua; Herring, Amy H.; Xiu, Aijun

2013-01-01

Background: This paper presents an application of quantitative ion character–activity relationships (QICAR) to estimate associations of human cardiovascular (CV) diseases (CVDs) with a set of metal ion properties commonly observed in ambient air pollutants. QICAR has previously been used to predict ecotoxicity of inorganic metal ions based on ion properties. Objectives: The objective of this work was to examine potential associations of biological end points with a set of physical and chemical properties describing inorganic metal ions present in exposures using QICAR. Methods: Chemical and physical properties of 17 metal ions were obtained from peer-reviewed publications. Associations of cardiac arrhythmia, myocardial ischemia, myocardial infarction, stroke, and thrombosis with exposures to metal ions (measured as inference scores) were obtained from the Comparative Toxicogenomics Database (CTD). Robust regressions were applied to estimate the associations of CVDs with ion properties. Results: CVD was statistically significantly associated (Bonferroni-adjusted significance level of 0.003) with many ion properties reflecting ion size, solubility, oxidation potential, and abilities to form covalent and ionic bonds. The properties are relevant for reactive oxygen species (ROS) generation, which has been identified as a possible mechanism leading to CVDs. Conclusion: QICAR has the potential to complement existing epidemiologic methods for estimating associations between CVDs and air pollutant exposures by providing clues about the underlying mechanisms that may explain these associations. PMID:23462649

Polarimetric Scattering Database for Non-spherical Ice Particles at Microwave Wavelengths

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

Aydin, Kultegin; Verlinde, Johannes; Clothiaux, Eugene

A database containing polarimetric single-scattering properties of various types of ice particles at millimeter to centimeter wavelengths is presented. This database is complementary to earlier ones in that it contains complete (polarimetric) scattering property information for each ice particle - 44 plates, 30 columns, 405 branched planar crystals, 660 aggregates, and 640 conical graupel - and direction of incident radiation but is limited to four frequencies (W-, Ka-, Ku- and X-bands), does not include temperature dependencies of the single-scattering properties and does not include scattering properties averaged over randomly oriented ice particles. Rules for constructing the morphologies of ice particlesmore » from one database to the next often differ; consequently, analyses that incorporate all of the different databases will contain the most variability, while illuminating important differences between them.« less

The Halophile protein database.

PubMed

Sharma, Naveen; Farooqi, Mohammad Samir; Chaturvedi, Krishna Kumar; Lal, Shashi Bhushan; Grover, Monendra; Rai, Anil; Pandey, Pankaj

2014-01-01

Halophilic archaea/bacteria adapt to different salt concentration, namely extreme, moderate and low. These type of adaptations may occur as a result of modification of protein structure and other changes in different cell organelles. Thus proteins may play an important role in the adaptation of halophilic archaea/bacteria to saline conditions. The Halophile protein database (HProtDB) is a systematic attempt to document the biochemical and biophysical properties of proteins from halophilic archaea/bacteria which may be involved in adaptation of these organisms to saline conditions. In this database, various physicochemical properties such as molecular weight, theoretical pI, amino acid composition, atomic composition, estimated half-life, instability index, aliphatic index and grand average of hydropathicity (Gravy) have been listed. These physicochemical properties play an important role in identifying the protein structure, bonding pattern and function of the specific proteins. This database is comprehensive, manually curated, non-redundant catalogue of proteins. The database currently contains 59 897 proteins properties extracted from 21 different strains of halophilic archaea/bacteria. The database can be accessed through link. Database URL: http://webapp.cabgrid.res.in/protein/ © The Author(s) 2014. Published by Oxford University Press.

Blending Education and Polymer Science: Semi Automated Creation of a Thermodynamic Property Database.

PubMed

Tchoua, Roselyne B; Qin, Jian; Audus, Debra J; Chard, Kyle; Foster, Ian T; de Pablo, Juan

2016-09-13

Structured databases of chemical and physical properties play a central role in the everyday research activities of scientists and engineers. In materials science, researchers and engineers turn to these databases to quickly query, compare, and aggregate various properties, thereby allowing for the development or application of new materials. The vast majority of these databases have been generated manually, through decades of labor-intensive harvesting of information from the literature; yet, while there are many examples of commonly used databases, a significant number of important properties remain locked within the tables, figures, and text of publications. The question addressed in our work is whether, and to what extent, the process of data collection can be automated. Students of the physical sciences and engineering are often confronted with the challenge of finding and applying property data from the literature, and a central aspect of their education is to develop the critical skills needed to identify such data and discern their meaning or validity. To address shortcomings associated with automated information extraction, while simultaneously preparing the next generation of scientists for their future endeavors, we developed a novel course-based approach in which students develop skills in polymer chemistry and physics and apply their knowledge by assisting with the semi-automated creation of a thermodynamic property database.

Blending Education and Polymer Science: Semiautomated Creation of a Thermodynamic Property Database

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

Tchoua, Roselyne B.; Qin, Jian; Audus, Debra J.

Structured databases of chemical and physical properties play a central role in the everyday research activities of scientists and engineers. In materials science, researchers and engineers turn to these databases to quickly query, compare, and aggregate various properties, thereby allowing for the development or application of new materials. The vast majority of these databases have been generated manually, through decades of labor-intensive harvesting of information from the literature, yet while there are many examples of commonly used databases, a significant number of important properties remain locked within the tables, figures, and text of publications. The question addressed in our workmore » is whether and to what extent the process of data collection can be automated. Students of the physical sciences and engineering are often confronted with the challenge of finding and applying property data from the literature, and a central aspect of their education is to develop the critical skills needed to identify such data and discern their meaning or validity. To address shortcomings associated with automated information extraction while simultaneously preparing the next generation of scientists for their future endeavors, we developed a novel course-based approach in which students develop skills in polymer chemistry and physics and apply their knowledge by assisting with the semiautomated creation of a thermodynamic property database.« less

Integrity Constraint Monitoring in Software Development: Proposed Architectures

NASA Technical Reports Server (NTRS)

Fernandez, Francisco G.

1997-01-01

In the development of complex software systems, designers are required to obtain from many sources and manage vast amounts of knowledge of the system being built and communicate this information to personnel with a variety of backgrounds. Knowledge concerning the properties of the system, including the structure of, relationships between and limitations of the data objects in the system, becomes increasingly more vital as the complexity of the system and the number of knowledge sources increases. Ensuring that violations of these properties do not occur becomes steadily more challenging. One approach toward managing the enforcement or system properties, called context monitoring, uses a centralized repository of integrity constraints and a constraint satisfiability mechanism for dynamic verification of property enforcement during program execution. The focus of this paper is to describe possible software architectures that define a mechanism for dynamically checking the satisfiability of a set of constraints on a program. The next section describes the context monitoring approach in general. Section 3 gives an overview of the work currently being done toward the addition of an integrity constraint satisfiability mechanism to a high-level program language, SequenceL, and demonstrates how this model is being examined to develop a general software architecture. Section 4 describes possible architectures for a general constraint satisfiability mechanism, as well as an alternative approach that, uses embedded database queries in lieu of an external monitor. The paper concludes with a brief summary outlining the, current state of the research and future work.

Innovative Strategies to Develop Chemical Categories Using a Combination of Structural and Toxicological Properties.

PubMed

Batke, Monika; Gütlein, Martin; Partosch, Falko; Gundert-Remy, Ursula; Helma, Christoph; Kramer, Stefan; Maunz, Andreas; Seeland, Madeleine; Bitsch, Annette

2016-01-01

Interest is increasing in the development of non-animal methods for toxicological evaluations. These methods are however, particularly challenging for complex toxicological endpoints such as repeated dose toxicity. European Legislation, e.g., the European Union's Cosmetic Directive and REACH, demands the use of alternative methods. Frameworks, such as the Read-across Assessment Framework or the Adverse Outcome Pathway Knowledge Base, support the development of these methods. The aim of the project presented in this publication was to develop substance categories for a read-across with complex endpoints of toxicity based on existing databases. The basic conceptual approach was to combine structural similarity with shared mechanisms of action. Substances with similar chemical structure and toxicological profile form candidate categories suitable for read-across. We combined two databases on repeated dose toxicity, RepDose database, and ELINCS database to form a common database for the identification of categories. The resulting database contained physicochemical, structural, and toxicological data, which were refined and curated for cluster analyses. We applied the Predictive Clustering Tree (PCT) approach for clustering chemicals based on structural and on toxicological information to detect groups of chemicals with similar toxic profiles and pathways/mechanisms of toxicity. As many of the experimental toxicity values were not available, this data was imputed by predicting them with a multi-label classification method, prior to clustering. The clustering results were evaluated by assessing chemical and toxicological similarities with the aim of identifying clusters with a concordance between structural information and toxicity profiles/mechanisms. From these chosen clusters, seven were selected for a quantitative read-across, based on a small ratio of NOAEL of the members with the highest and the lowest NOAEL in the cluster (< 5). We discuss the limitations of the approach. Based on this analysis we propose improvements for a follow-up approach, such as incorporation of metabolic information and more detailed mechanistic information. The software enables the user to allocate a substance in a cluster and to use this information for a possible read- across. The clustering tool is provided as a free web service, accessible at http://mlc-reach.informatik.uni-mainz.de.

Suppression of radiation-induced point defects by rhenium and osmium interstitials in tungsten

PubMed Central

Suzudo, Tomoaki; Hasegawa, Akira

2016-01-01

Modeling the evolution of radiation-induced defects is important for finding radiation-resistant materials, which would be greatly appreciated in nuclear applications. We apply the density functional theory combined with comprehensive analyses of massive experimental database to indicate a mechanism to mitigate the effect of radiation on W crystals by adding particular solute elements that change the migration property of interstitials. The resultant mechanism is applicable to any body-centered-cubic (BCC) metals whose self-interstitial atoms become a stable crowdion and is expected to provide a general guideline for computational design of radiation-resistant alloys in the field of nuclear applications. PMID:27824134

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.

StimulStat: A lexical database for Russian.

PubMed

Alexeeva, Svetlana; Slioussar, Natalia; Chernova, Daria

2017-12-07

In this article, we present StimulStat - a lexical database for the Russian language in the form of a web application. The database contains more than 52,000 of the most frequent Russian lemmas and more than 1.7 million word forms derived from them. These lemmas and forms are characterized according to more than 70 properties that were demonstrated to be relevant for psycholinguistic research, including frequency, length, phonological and grammatical properties, orthographic and phonological neighborhood frequency and size, grammatical ambiguity, homonymy and polysemy. Some properties were retrieved from various dictionaries and are presented collectively in a searchable form for the first time, the others were computed specifically for the database. The database can be accessed freely at http://stimul.cognitivestudies.ru .

Design of two-photon molecular tandem architectures for solar cells by ab initio theory† †Electronic supplementary information (ESI) available: Visualizations of molecular orbitals, one-particle mechanisms and a table with Kohn–Sham eigenvalues. See DOI: 10.1039/c4sc03835e

PubMed Central

Garcia-Lastra, Juan M.; De La Torre, Gema; Himpsel, F. J.; Rubio, Angel

2015-01-01

An extensive database of spectroscopic properties of molecules from ab initio calculations is used to design molecular complexes for use in tandem solar cells that convert two photons into a single electron–hole pair, thereby increasing the output voltage while covering a wider spectral range. Three different architectures are considered: the first two involve a complex consisting of two dye molecules with appropriately matched frontier orbitals, connected by a molecular diode. Optimized combinations of dye molecules are determined by taking advantage of our computational database of the structural and energetic properties of several thousand porphyrin dyes. The third design is a molecular analogy of the intermediate band solar cell, and involves a single dye molecule with strong intersystem crossing to ensure a long lifetime of the intermediate state. Based on the calculated energy levels and molecular orbitals, energy diagrams are presented for the individual steps in the operation of such tandem solar cells. We find that theoretical open circuit voltages of up to 1.8 V can be achieved using these tandem designs. Questions about the practical implementation of prototypical devices, such as the synthesis of the tandem molecules and potential loss mechanisms, are addressed. PMID:29142685

Contraceptives with novel benefits.

PubMed

Su, Ying; Lian, Qing-Quan; Ge, Ren-Shan

2012-01-01

Progesterone receptor (PR) agonists (progestins) and antagonists are developed for female contraceptives. However, non-contraceptive applications of newer progestins and PR modulators are being given more attention. The newer PR agonists including drospirenone, nomegestrol, trimegestone, dienogest and nestorone are being evaluated as contraceptives with health benefits because of their unique pharmacological properties. The selective PR modulators (SPRM; PR antagonists with PR agonistic properties) are under development not only for emergency contraception but also for other health benefits such as the treatment of endometritis and leiomyoma. After searching the literature from PubMed, clinicaltrials.gov and patent database, this review focuses on the effects and mechanisms of these progestins, and SPRMs as contraceptives with other health benefits. PR agonists and antagonists that have novel properties may generate better contraceptive effects with other health benefits.

Tool use in left-brain-damaged patients: Difficulties in reasoning but not in estimating the physical properties of objects.

PubMed

Faye, Alexandrine; Jacquin-Courtois, Sophie; Osiurak, François

2018-03-01

The purpose of this study was to deepen our understanding of the cognitive bases of human tool use based on the technical reasoning hypothesis (i.e., the reasoning-based approach). This approach assumes that tool use is supported by the ability to reason about an object's physical properties (e.g., length, weight, strength, etc.) to perform mechanical actions (e.g., lever). In this framework, an important issue is to understand whether left-brain-damaged (LBD) individuals with tool-use deficits are still able to estimate the physical object's properties necessary to use the tool. Eleven LBD patients and 12 control participants performed 3 original experimental tasks: Use-Length (visual evaluation of the length of a stick to bring down a target), Visual-Length (to visually compare objects of different lengths) and Addition-Length (to visually compare added lengths). Participants were also tested on conventional tasks: Familiar Tool Use and Mechanical Problem-Solving (novel tools). LBD patients had more difficulties than controls on both conventional tasks. No significant differences were observed for the 3 experimental tasks. These results extend the reasoning-based approach, stressing that it might not be the representation of length that is impaired in LBD patients, but rather the ability to generate mechanical actions based on physical object properties. (PsycINFO Database Record (c) 2018 APA, all rights reserved).

Multiscale Investigation from Subcellular to Tissue Scale of Onion Epidermal Plant Cell Wall Mechanical Properties

NASA Astrophysics Data System (ADS)

Zamil, Mohammad Shafayet

The physical and mechanical properties of cell walls, their shape, how they are arranged and interact with each other determine the architecture of plant organs and how they mechanically respond to different environmental and loading conditions. Due to the distinctive hierarchy from subcellular to tissue scale, plant materials can exhibit remarkably different mechanical properties. To date, how the subcellular scale arrangement and the mechanical properties of plant cell wall structural constituents give rise to macro or tissue scale mechanical responses is not yet well understood. Although the tissue scale plant cell wall samples are easy to prepare and put to different types of mechanical tests, the hierarchical features that emerge when moving towards a higher scale make it complicated to link the macro scale results to micro or subcellular scale structural components. On the other hand, the microscale size of cell brings formidable challenges to prepare and grip samples and carry mechanical tests under tensile loading at subcellular scale. This study attempted to develop a set of test protocols based on microelectromechanical system (MEMS) tensile testing devices for characterizing plant cell wall materials at different length scales. For the ease of sample preparation and well established database of the composition and conformation of its structural constituents, onion epidermal cell wall profile was chosen as the study material. Based on the results and findings of multiscale mechanical characterization, a framework of architecture-based finite element method (FEM) computational model was developed. The computational model laid the foundation of bridging the subcellular or microscale to the tissue or macroscale mechanical properties. This study suggests that there are important insights of cell wall mechanics and structural features that can only be investigated by carrying tensile characterization of samples not confounded by extracellular parameters. To the best of our knowledge, the plant cell wall at subcellular scale was never characterized under tensile loading. By coupling the structure based multiscale modeling and mechanical characterizations at different length scales, an attempt was made to provide novel insights towards understanding the mechanics and architecture of cell wall. This study also suggests that a multiscale investigation is essential for garnering fundamental insights into the hierarchical deformation of biological systems.

Database on pharmacophore analysis of active principles, from medicinal plants

PubMed Central

Pitchai, Daisy; Manikkam, Rajalakshmi; Rajendran, Sasikala R; Pitchai, Gnanamani

2010-01-01

Plants continue to be a major source of medicines, as they have been throughout human history. In the present days, drug discovery from plants involves a multidisciplinary approach combining ethnobotanical, phytochemical and biological techniques to provide us new chemical compounds (lead molecules) for the development of drugs against various pharmacological targets, including cancer, diabetes and its secondary complications. In view of this need in current drug discovery from medicinal plants, here we describe another web database containing the information of pharmacophore analysis of active principles possessing antidiabetic, antimicrobial, anticancerous and antioxidant properties from medicinal plants. The database provides the botanical, taxonomic classification, biochemical as well as pharmacological properties of medicinal plants. Data on antidiabetic, antimicrobial, anti oxidative, anti tumor and anti inflammatory compounds, and their physicochemical properties, SMILES Notation, Lipinski's properties are included in our database. One of the proposed features in the database is the predicted ADMET values and the interaction of bioactive compounds to the target protein. The database alphabetically lists the compound name and also provides tabs separating for anti microbial, antitumor, antidiabetic, and antioxidative compounds. Availability http://www.hccbif.info / PMID:21346859

Mechanical characteristic and biological behaviour of implanted and restorative bioglasses used in medicine and dentistry: A systematic review.

PubMed

Lizzi, F; Villat, C; Attik, N; Jackson, P; Grosgogeat, B; Goutaudier, C

2017-06-01

Nowadays bioactive glasses are finding increasing applications in medical practice due to their ability to stimulate re-mineralisation. However, they are intrinsically brittle materials and the study of new compositions will open up new scenarios enhancing their mechanical properties and maintaining the high bioactivity for a broader range of applications. This systematic review aims to identify the relationship between the composition of bioactive glasses used in medical applications and their influence on the mechanical and biological properties. Various electronic databases (PubMed, Science Direct) were used for collecting articles on this subject. This research includes papers from January 2011 to March 2016. PRISMA guidelines for systematic review and meta-analysis have been used. 109 abstracts were collected and screened, 68 articles were read as relevant articles and a total of 22 papers were finally selected for this study. Most of the studies obtained enhanced mechanical properties and the conservation of bioactivity behaviours; although a lack of homogeneity in the characterization methods makes it difficult to compare data. New compositions of bioactive glasses incorporating specific ions and the addition in polymers will be the most important direction for future researches in developing new materials for medical applications and especially for dentistry. Copyright © 2017 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved.

Structural, mechanical and chemical evaluation of molar-incisor hypomineralization-affected enamel: A systematic review.

PubMed

Elhennawy, Karim; Manton, David John; Crombie, Felicity; Zaslansky, Paul; Radlanski, Ralf J; Jost-Brinkmann, Paul-Georg; Schwendicke, Falk

2017-11-01

To systematically assess and contrast reported differences in microstructure, mineral density, mechanical and chemical properties between molar-incisor-hypomineralization-affected (MIH) enamel and unaffected enamel. Studies on extracted human teeth, clinically diagnosed with MIH, reporting on the microstructure, mechanical properties or the chemical composition and comparing them to unaffected enamel were reviewed. Electronic databases (PubMed, Embase and Google Scholar) were screened; hand searches and cross-referencing were also performed. Twenty-two studies were included. Fifteen studies on a total of 201 teeth investigated the structural properties, including ten (141 teeth) on microstructure and seven (60 teeth) on mineral density; six (29 teeth) investigated the mechanical properties and eleven (87 teeth) investigated the chemical properties of MIH-affected enamel and compared them to unaffected enamel. Studies unambiguously found a reduction in mineral quantity and quality (reduced Ca and P content), reduction of hardness and modulus of elasticity (also in the clinically sound-appearing enamel bordering the MIH-lesion), an increase in porosity, carbon/carbonate concentrations and protein content compared to unaffected enamel. were ambiguous with regard to the extent of the lesion through the enamel to the enamel-dentin junction, the Ca/P ratio and the association between clinical appearance and defect severity. There is an understanding of the changes related to MIH-affected enamel. The association of these changes with the clinical appearance and resulting implications for clinical management are unclear. MIH-affected enamel is greatly different from unaffected enamel. This has implications for management strategies. The possibility of correlating the clinical appearance of MIH-affected enamel with the severity of enamel changes and deducing clinical concepts (risk stratification etc.) is limited. Crown Copyright © 2017. Published by Elsevier Ltd. All rights reserved.

PDB-wide collection of binding data: current status of the PDBbind database.

PubMed

Liu, Zhihai; Li, Yan; Han, Li; Li, Jie; Liu, Jie; Zhao, Zhixiong; Nie, Wei; Liu, Yuchen; Wang, Renxiao

2015-02-01

Molecular recognition between biological macromolecules and organic small molecules plays an important role in various life processes. Both structural information and binding data of biomolecular complexes are indispensable for depicting the underlying mechanism in such an event. The PDBbind database was created to collect experimentally measured binding data for the biomolecular complexes throughout the Protein Data Bank (PDB). It thus provides the linkage between structural information and energetic properties of biomolecular complexes, which is especially desirable for computational studies or statistical analyses. Since its first public release in 2004, the PDBbind database has been updated on an annual basis. The latest release (version 2013) provides experimental binding affinity data for 10,776 biomolecular complexes in PDB, including 8302 protein-ligand complexes and 2474 other types of complexes. In this article, we will describe the current methods used for compiling PDBbind and the updated status of this database. We will also review some typical applications of PDBbind published in the scientific literature. All contents of this database are freely accessible at the PDBbind-CN Web server at http://www.pdbbind-cn.org/. wangrx@mail.sioc.ac.cn. Supplementary data are available at Bioinformatics online. © The Author 2014. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Effects of Long-term Soil and Crop Management on Soil Hydraulic Properties for Claypan Soils

USDA-ARS?s Scientific Manuscript database

Regional and national soil maps and associated databases of soil properties have been developed to help land managers make decisions based on soil characteristics. Hydrologic modelers also utilize soil hydraulic properties provided in these databases, in which soil characterization is based on avera...

Glass Property Data and Models for Estimating High-Level Waste Glass Volume

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

Vienna, John D.; Fluegel, Alexander; Kim, Dong-Sang

2009-10-05

This report describes recent efforts to develop glass property models that can be used to help estimate the volume of high-level waste (HLW) glass that will result from vitrification of Hanford tank waste. The compositions of acceptable and processable HLW glasses need to be optimized to minimize the waste-form volume and, hence, to save cost. A database of properties and associated compositions for simulated waste glasses was collected for developing property-composition models. This database, although not comprehensive, represents a large fraction of data on waste-glass compositions and properties that were available at the time of this report. Glass property-composition modelsmore » were fit to subsets of the database for several key glass properties. These models apply to a significantly broader composition space than those previously publised. These models should be considered for interim use in calculating properties of Hanford waste glasses.« less

Lognormal Behavior of the Size Distributions of Animation Characters

NASA Astrophysics Data System (ADS)

Yamamoto, Ken

This study investigates the statistical property of the character sizes of animation, superhero series, and video game. By using online databases of Pokémon (video game) and Power Rangers (superhero series), the height and weight distributions are constructed, and we find that the weight distributions of Pokémon and Zords (robots in Power Rangers) follow the lognormal distribution in common. For the theoretical mechanism of this lognormal behavior, the combination of the normal distribution and the Weber-Fechner law is proposed.

An ab initio electronic transport database for inorganic materials.

PubMed

Ricci, Francesco; Chen, Wei; Aydemir, Umut; Snyder, G Jeffrey; Rignanese, Gian-Marco; Jain, Anubhav; Hautier, Geoffroy

2017-07-04

Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material's band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present the workflow to generate the data, the data validation procedure, and the database structure. Our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.

Documentation for Preservation: Methodology and a GIS Database of Three World Heritage Cities in Uzbekistan

NASA Astrophysics Data System (ADS)

Vileikis, O.; Escalante Carrillo, E.; Allayarov, S.; Feyzulayev, A.

2017-08-01

The historic cities of Uzbekistan are an irreplaceable legacy of the Silk Roads. Currently, Uzbekistan counts with four UNESCO World Heritage Properties, with hundreds of historic monuments and traditional historic houses. However, lack of documentation, systematic monitoring and a digital database, of the historic buildings and dwellings within the historic centers, are threatening the World Heritage properties and delaying the development of a proper management mechanism for the preservation of the heritage and an interwoven city urban development. Unlike the monuments, the traditional historic houses are being demolished without any enforced legal protection, leaving no documentation to understand the city history and its urban fabric as well of way of life, traditions and customs over the past centuries. To fill out this gap, from 2008 to 2015, the Principal Department for Preservation and Utilization of Cultural Objects of the Ministry of Culture and Sports of Uzbekistan with support from the UNESCO Office in Tashkent, and in collaboration with several international and local universities and institutions, carried out a survey of the Historic Centre of Bukhara, Itchan Kala and Samarkand Crossroad of Cultures. The collaborative work along these years have helped to consolidate a methodology and to integrate a GIS database that is currently contributing to the understanding of the outstanding heritage values of these cities as well as to develop preservation and management strategies with a solid base of heritage documentation.

Analysis of Lagrangian stretching in turbulent channel flow using a database task-parallel particle tracking approach

NASA Astrophysics Data System (ADS)

Meneveau, Charles; Johnson, Perry; Hamilton, Stephen; Burns, Randal

2016-11-01

An intrinsic property of turbulent flows is the exponential deformation of fluid elements along Lagrangian paths. The production of enstrophy by vorticity stretching follows from a similar mechanism in the Lagrangian view, though the alignment statistics differ and viscosity prevents unbounded growth. In this paper, the stretching properties of fluid elements and vorticity along Lagrangian paths are studied in a channel flow at Reτ = 1000 and compared with prior, known results from isotropic turbulence. To track Lagrangian paths in a public database containing Direct Numerical Simulation (DNS) results, the task-parallel approach previously employed in the isotropic database is extended to the case of flow in a bounded domain. It is shown that above 100 viscous units from the wall, stretching statistics are equal to their isotropic values, in support of the local isotropy hypothesis. Normalized by dissipation rate, the stretching in the buffer layer and below is less efficient due to less favorable alignment statistics. The Cramér function characterizing cumulative Lagrangian stretching statistics shows that overall the channel flow has about half of the stretching per unit dissipation compared with isotropic turbulence. Supported by a National Science Foundation Graduate Research Fellowship Program under Grant No. DGE-1232825, and by National Science Foundation Grants CBET-1507469, ACI-1261715, OCI-1244820 and by JHU IDIES.

PvTFDB: a Phaseolus vulgaris transcription factors database for expediting functional genomics in legumes

PubMed Central

Bhawna; Bonthala, V.S.; Gajula, MNV Prasad

2016-01-01

The common bean [Phaseolus vulgaris (L.)] is one of the essential proteinaceous vegetables grown in developing countries. However, its production is challenged by low yields caused by numerous biotic and abiotic stress conditions. Regulatory transcription factors (TFs) symbolize a key component of the genome and are the most significant targets for producing stress tolerant crop and hence functional genomic studies of these TFs are important. Therefore, here we have constructed a web-accessible TFs database for P. vulgaris, called PvTFDB, which contains 2370 putative TF gene models in 49 TF families. This database provides a comprehensive information for each of the identified TF that includes sequence data, functional annotation, SSRs with their primer sets, protein physical properties, chromosomal location, phylogeny, tissue-specific gene expression data, orthologues, cis-regulatory elements and gene ontology (GO) assignment. Altogether, this information would be used in expediting the functional genomic studies of a specific TF(s) of interest. The objectives of this database are to understand functional genomics study of common bean TFs and recognize the regulatory mechanisms underlying various stress responses to ease breeding strategy for variety production through a couple of search interfaces including gene ID, functional annotation and browsing interfaces including by family and by chromosome. This database will also serve as a promising central repository for researchers as well as breeders who are working towards crop improvement of legume crops. In addition, this database provide the user unrestricted public access and the user can download entire data present in the database freely. Database URL: http://www.multiomics.in/PvTFDB/ PMID:27465131

Universal Fragment Descriptors for Predicting Electronic and Mechanical Properties of Inorganic Crystals

NASA Astrophysics Data System (ADS)

Oses, Corey; Isayev, Olexandr; Toher, Cormac; Curtarolo, Stefano; Tropsha, Alexander

Historically, materials discovery is driven by a laborious trial-and-error process. The growth of materials databases and emerging informatics approaches finally offer the opportunity to transform this practice into data- and knowledge-driven rational design-accelerating discovery of novel materials exhibiting desired properties. By using data from the AFLOW repository for high-throughput, ab-initio calculations, we have generated Quantitative Materials Structure-Property Relationship (QMSPR) models to predict critical materials properties, including the metal/insulator classification, band gap energy, and bulk modulus. The prediction accuracy obtained with these QMSPR models approaches training data for virtually any stoichiometric inorganic crystalline material. We attribute the success and universality of these models to the construction of new materials descriptors-referred to as the universal Property-Labeled Material Fragments (PLMF). This representation affords straightforward model interpretation in terms of simple heuristic design rules that could guide rational materials design. This proof-of-concept study demonstrates the power of materials informatics to dramatically accelerate the search for new materials.

Distributed databases for materials study of thermo-kinetic properties

NASA Astrophysics Data System (ADS)

Toher, Cormac

2015-03-01

High-throughput computational materials science provides researchers with the opportunity to rapidly generate large databases of materials properties. To rapidly add thermal properties to the AFLOWLIB consortium and Materials Project repositories, we have implemented an automated quasi-harmonic Debye model, the Automatic GIBBS Library (AGL). This enables us to screen thousands of materials for thermal conductivity, bulk modulus, thermal expansion and related properties. The search and sort functions of the online database can then be used to identify suitable materials for more in-depth study using more precise computational or experimental techniques. AFLOW-AGL source code is public domain and will soon be released within the GNU-GPL license.

STEP-TRAMM - A modeling interface for simulating localized rainfall induced shallow landslides and debris flow runout pathways

NASA Astrophysics Data System (ADS)

von Ruette, Jonas; Lehmann, Peter; Fan, Linfeng; Bickel, Samuel; Or, Dani

2017-04-01

Landslides and subsequent debris-flows initiated by rainfall represent a ubiquitous natural hazard in steep mountainous regions. We integrated a landslide hydro-mechanical triggering model and associated debris flow runout pathways with a graphical user interface (GUI) to represent these natural hazards in a wide range of catchments over the globe. The STEP-TRAMM GUI provides process-based locations and sizes of landslides patterns using digital elevation models (DEM) from SRTM database (30 m resolution) linked with soil maps from global database SoilGrids (250 m resolution) and satellite based information on rainfall statistics for the selected region. In a preprocessing step STEP-TRAMM models soil depth distribution and complements soil information that jointly capture key hydrological and mechanical properties relevant to local soil failure representation. In the presentation we will discuss feature of this publicly available platform and compare landslide and debris flow patterns for different regions considering representative intense rainfall events. Model outcomes will be compared for different spatial and temporal resolutions to test applicability of web-based information on elevation and rainfall for hazard assessment.

TCMSP: a database of systems pharmacology for drug discovery from herbal medicines.

PubMed

Ru, Jinlong; Li, Peng; Wang, Jinan; Zhou, Wei; Li, Bohui; Huang, Chao; Li, Pidong; Guo, Zihu; Tao, Weiyang; Yang, Yinfeng; Xu, Xue; Li, Yan; Wang, Yonghua; Yang, Ling

2014-01-01

Modern medicine often clashes with traditional medicine such as Chinese herbal medicine because of the little understanding of the underlying mechanisms of action of the herbs. In an effort to promote integration of both sides and to accelerate the drug discovery from herbal medicines, an efficient systems pharmacology platform that represents ideal information convergence of pharmacochemistry, ADME properties, drug-likeness, drug targets, associated diseases and interaction networks, are urgently needed. The traditional Chinese medicine systems pharmacology database and analysis platform (TCMSP) was built based on the framework of systems pharmacology for herbal medicines. It consists of all the 499 Chinese herbs registered in the Chinese pharmacopoeia with 29,384 ingredients, 3,311 targets and 837 associated diseases. Twelve important ADME-related properties like human oral bioavailability, half-life, drug-likeness, Caco-2 permeability, blood-brain barrier and Lipinski's rule of five are provided for drug screening and evaluation. TCMSP also provides drug targets and diseases of each active compound, which can automatically establish the compound-target and target-disease networks that let users view and analyze the drug action mechanisms. It is designed to fuel the development of herbal medicines and to promote integration of modern medicine and traditional medicine for drug discovery and development. The particular strengths of TCMSP are the composition of the large number of herbal entries, and the ability to identify drug-target networks and drug-disease networks, which will help revealing the mechanisms of action of Chinese herbs, uncovering the nature of TCM theory and developing new herb-oriented drugs. TCMSP is freely available at http://sm.nwsuaf.edu.cn/lsp/tcmsp.php.

Mechanism and Catalytic Site Atlas (M-CSA): a database of enzyme reaction mechanisms and active sites.

PubMed

Ribeiro, António J M; Holliday, Gemma L; Furnham, Nicholas; Tyzack, Jonathan D; Ferris, Katherine; Thornton, Janet M

2018-01-04

M-CSA (Mechanism and Catalytic Site Atlas) is a database of enzyme active sites and reaction mechanisms that can be accessed at www.ebi.ac.uk/thornton-srv/m-csa. Our objectives with M-CSA are to provide an open data resource for the community to browse known enzyme reaction mechanisms and catalytic sites, and to use the dataset to understand enzyme function and evolution. M-CSA results from the merging of two existing databases, MACiE (Mechanism, Annotation and Classification in Enzymes), a database of enzyme mechanisms, and CSA (Catalytic Site Atlas), a database of catalytic sites of enzymes. We are releasing M-CSA as a new website and underlying database architecture. At the moment, M-CSA contains 961 entries, 423 of these with detailed mechanism information, and 538 with information on the catalytic site residues only. In total, these cover 81% (195/241) of third level EC numbers with a PDB structure, and 30% (840/2793) of fourth level EC numbers with a PDB structure, out of 6028 in total. By searching for close homologues, we are able to extend M-CSA coverage of PDB and UniProtKB to 51 993 structures and to over five million sequences, respectively, of which about 40% and 30% have a conserved active site. © The Author(s) 2017. Published by Oxford University Press on behalf of Nucleic Acids Research.

An ab initio electronic transport database for inorganic materials

DOE PAGES

Ricci, Francesco; Chen, Wei; Aydemir, Umut; ...

2017-07-04

Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material’s band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present themore » workflow to generate the data, the data validation procedure, and the database structure. In conclusion, our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.« less

An ab initio electronic transport database for inorganic materials

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

Ricci, Francesco; Chen, Wei; Aydemir, Umut

Electronic transport in materials is governed by a series of tensorial properties such as conductivity, Seebeck coefficient, and effective mass. These quantities are paramount to the understanding of materials in many fields from thermoelectrics to electronics and photovoltaics. Transport properties can be calculated from a material’s band structure using the Boltzmann transport theory framework. We present here the largest computational database of electronic transport properties based on a large set of 48,000 materials originating from the Materials Project database. Our results were obtained through the interpolation approach developed in the BoltzTraP software, assuming a constant relaxation time. We present themore » workflow to generate the data, the data validation procedure, and the database structure. In conclusion, our aim is to target the large community of scientists developing materials selection strategies and performing studies involving transport properties.« less

Subscale Test Methods for Combustion Devices

NASA Technical Reports Server (NTRS)

Anderson, W. E.; Sisco, J. C.; Long, M. R.; Sung, I.-K.

2005-01-01

Stated goals for long-life LRE s have been between 100 and 500 cycles: 1) Inherent technical difficulty of accurately defining the transient and steady state thermochemical environments and structural response (strain); 2) Limited statistical basis on failure mechanisms and effects of design and operational variability; and 3) Very high test costs and budget-driven need to protect test hardware (aversion to test-to-failure). Ambitious goals will require development of new databases: a) Advanced materials, e.g., tailored composites with virtually unlimited property variations; b) Innovative functional designs to exploit full capabilities of advanced materials; and c) Different cycles/operations. Subscale testing is one way to address technical and budget challenges: 1) Prototype subscale combustors exposed to controlled simulated conditions; 2) Complementary to conventional laboratory specimen database development; 3) Instrumented with sensors to measure thermostructural response; and 4) Coupled with analysis

Fabrication and characterisation of phantom material made of Tannin-added Rhizophora spp. particleboards for photon and electron beams

NASA Astrophysics Data System (ADS)

Yusof, M. F. Mohd; Hamid, P. N. K. Abd; Tajuddin, A. A.; Hashim, R.; Bauk, S.; Isa, N. Mohd; Isa, M. J. Md

2017-05-01

Particleboards made of Rhizophora spp. with addition of tannin adhesive were fabricated at target density of 1.0 g/cm3. The physical and mechanical properties of the particleboards including internal bond strength (IB) and modulus of rupture (MOR) were measured based on Japanese Industrial Standards (JIS A-5908). The characterisation of the particleboards including the effective atomic number, CT number and relative electron density were determined and compared to water. The mass attenuation coefficient of the particleboards were measured and compared to the calculated value of water using photon cross-section database (XCOM). The results showed that the physical and mechanical properties of the particleboards complied with Type 13 and 18 of JIS A-5908. The values of effective atomic number, CT number and relative electron density were also close to the value of water. The value of mass attenuation coefficients of the particleboards showed good agreement with water (XCOM) at low and high energy photon indicated by the χ2 values.

Neural network potential for Al-Mg-Si alloys

NASA Astrophysics Data System (ADS)

Kobayashi, Ryo; Giofré, Daniele; Junge, Till; Ceriotti, Michele; Curtin, William A.

2017-10-01

The 6000 series Al alloys, which include a few percent of Mg and Si, are important in automotive and aviation industries because of their low weight, as compared to steels, and the fact their strength can be greatly improved through engineered precipitation. To enable atomistic-level simulations of both the processing and performance of this important alloy system, a neural network (NN) potential for the ternary Al-Mg-Si has been created. Training of the NN uses an extensive database of properties computed using first-principles density functional theory, including complex precipitate phases in this alloy. The NN potential accurately reproduces most of the pure Al properties relevant to the mechanical behavior as well as heat of solution, solute-solute, and solute-vacancy interaction energies, and formation energies of small solute clusters and precipitates that are required for modeling the early stage of precipitation and mechanical strengthening. This success not only enables future detailed studies of Al-Mg-Si but also highlights the ability of NN methods to generate useful potentials in complex alloy systems.

TaxKB: a knowledge base for new taxane-related drug discovery.

PubMed

Murugan, Kasi; Shanmugasamy, Sangeetha; Al-Sohaibani, Saleh; Vignesh, Naga; Palanikannan, Kandavel; Vimala, Antonydhason; Kumar, Gopal Ramesh

2015-01-01

Taxanes are naturally occurring compounds which belong to a powerful group of chemotherapeutic drugs with anticancer properties. Their current use, clinical efficacy, and unique mechanism of action indicate their potentiality for cancer drug discovery and development thereby promising to reduce the high economy associated with cancer worldwide. Extensive research has been carried out on taxanes with the aim to combat issues of drug resistance, side effects, limited natural supply, and also to increase the therapeutic index of these molecules. These efforts have led to the isolation of many naturally occurring compounds belonging to this family (more than 350 different kinds), and the synthesis of semisynthetic analogs of the naturally existing molecules (>500), and has also led to the characterization of many (>1000) of them. A web-based database system on clinically exploitable taxanes, providing a link between the structure and the pharmacological property of these molecules could help to reduce the druggability gap for these molecules. Taxane knowledge base (TaxKB, http://bioinfo.au-kbc.org.in/taxane/Taxkb/), is an online multi-tier relational database that currently holds data on 42 parameters of 250 natural and 503 semisynthetic analogs of taxanes. This database provides researchers with much-needed information necessary for drug development. TaxKB enables the user to search data on the structure, drug-likeness, and physicochemical properties of both natural and synthetic taxanes with a "General Search" option in addition to a "Parameter Specific Search." It displays 2D structure and allows the user to download the 3D structure (a PDB file) of taxanes that can be viewed with any molecular visualization tool. The ultimate aim of TaxKB is to provide information on Absorption, Distribution, Metabolism, and Excretion/Toxicity (ADME/T) as well as data on bioavailability and target interaction properties of candidate anticancer taxanes, ahead of expensive clinical trials. This first web-based single-information portal will play a central role and help researchers to move forward in taxane-based cancer drug research.

Computational Chemistry Comparison and Benchmark Database

National Institute of Standards and Technology Data Gateway

SRD 101 NIST Computational Chemistry Comparison and Benchmark Database (Web, free access)   The NIST Computational Chemistry Comparison and Benchmark Database is a collection of experimental and ab initio thermochemical properties for a selected set of molecules. The goals are to provide a benchmark set of molecules for the evaluation of ab initio computational methods and allow the comparison between different ab initio computational methods for the prediction of thermochemical properties.

UNSODA UNSATURATED SOIL HYDRAULIC DATABASE USER'S MANUAL VERSION 1.0

EPA Science Inventory

This report contains general documentation and serves as a user manual of the UNSODA program. UNSODA is a database of unsaturated soil hydraulic properties (water retention, hydraulic conductivity, and soil water diffusivity), basic soil properties (particle-size distribution, b...

DMTB: the magnetotactic bacteria database

NASA Astrophysics Data System (ADS)

Pan, Y.; Lin, W.

2012-12-01

Magnetotactic bacteria (MTB) are of interest in biogeomagnetism, rock magnetism, microbiology, biomineralization, and advanced magnetic materials because of their ability to synthesize highly ordered intracellular nano-sized magnetic minerals, magnetite or greigite. Great strides for MTB studies have been made in the past few decades. More than 600 articles concerning MTB have been published. These rapidly growing data are stimulating cross disciplinary studies in such field as biogeomagnetism. We have compiled the first online database for MTB, i.e., Database of Magnestotactic Bacteria (DMTB, http://database.biomnsl.com). It contains useful information of 16S rRNA gene sequences, oligonucleotides, and magnetic properties of MTB, and corresponding ecological metadata of sampling sites. The 16S rRNA gene sequences are collected from the GenBank database, while all other data are collected from the scientific literature. Rock magnetic properties for both uncultivated and cultivated MTB species are also included. In the DMTB database, data are accessible through four main interfaces: Site Sort, Phylo Sort, Oligonucleotides, and Magnetic Properties. References in each entry serve as links to specific pages within public databases. The online comprehensive DMTB will provide a very useful data resource for researchers from various disciplines, e.g., microbiology, rock magnetism and paleomagnetism, biogeomagnetism, magnetic material sciences and others.

PvTFDB: a Phaseolus vulgaris transcription factors database for expediting functional genomics in legumes.

PubMed

Bhawna; Bonthala, V S; Gajula, Mnv Prasad

2016-01-01

The common bean [Phaseolus vulgaris (L.)] is one of the essential proteinaceous vegetables grown in developing countries. However, its production is challenged by low yields caused by numerous biotic and abiotic stress conditions. Regulatory transcription factors (TFs) symbolize a key component of the genome and are the most significant targets for producing stress tolerant crop and hence functional genomic studies of these TFs are important. Therefore, here we have constructed a web-accessible TFs database for P. vulgaris, called PvTFDB, which contains 2370 putative TF gene models in 49 TF families. This database provides a comprehensive information for each of the identified TF that includes sequence data, functional annotation, SSRs with their primer sets, protein physical properties, chromosomal location, phylogeny, tissue-specific gene expression data, orthologues, cis-regulatory elements and gene ontology (GO) assignment. Altogether, this information would be used in expediting the functional genomic studies of a specific TF(s) of interest. The objectives of this database are to understand functional genomics study of common bean TFs and recognize the regulatory mechanisms underlying various stress responses to ease breeding strategy for variety production through a couple of search interfaces including gene ID, functional annotation and browsing interfaces including by family and by chromosome. This database will also serve as a promising central repository for researchers as well as breeders who are working towards crop improvement of legume crops. In addition, this database provide the user unrestricted public access and the user can download entire data present in the database freely.Database URL: http://www.multiomics.in/PvTFDB/. © The Author(s) 2016. Published by Oxford University Press.

Fatigue and fracture properties of a super-austenitic stainless steel at 295 K and 4 K

NASA Astrophysics Data System (ADS)

McRae, D. M.; Walsh, R. P.; Dalder, E. N. C.; Litherland, S.; Trosen, M.; Kuhlmann, D. J.

2014-01-01

The tie plate structure for the ITER Central Solenoid (CS) is required to have high strength and good fatigue and fracture behavior at both room temperature and 4 K. A super-austenitic stainless steel - UNS 20910, commonly referred to by its trade name, Nitronic 50 (N50) - has been chosen for consideration to fulfill this task, due to its good room temperature and cryogenic yield strengths and weldability. Although N50 is often considered for cryogenic applications, little published data exists at 4 K. Here, a full series of tests have been conducted at 295 K and 4 K, and static tensile properties of four forgings of commercially-available N50 are reported along with fatigue life, fatigue crack growth rate (FCGR), and fracture toughness data. This study makes a significant contribution to the cryogenic mechanical properties database of high strength, paramagnetic alloys with potential for superconducting magnet applications.

Assessment of Technologies for the Space Shuttle External Tank Thermal Protection System and Recommendations for Technology Improvement - Part III: Material Property Characterization, Analysis, and Test Methods

NASA Technical Reports Server (NTRS)

Gates, Thomas S.; Johnson, Theodore F.; Whitley, Karen S.

2005-01-01

The objective of this report is to contribute to the independent assessment of the Space Shuttle External Tank Foam Material. This report specifically addresses material modeling, characterization testing, data reduction methods, and data pedigree. A brief description of the External Tank foam materials, locations, and standard failure modes is provided to develop suitable background information. A review of mechanics based analysis methods from the open literature is used to provide an assessment of the state-of-the-art in material modeling of closed cell foams. Further, this report assesses the existing material property database and investigates sources of material property variability. The report presents identified deficiencies in testing methods and procedures, recommendations for additional testing as required, identification of near-term improvements that should be pursued, and long-term capabilities or enhancements that should be developed.

Inventory of Shale Formations in the US, Including Geologic, Hydrological, and Mechanical Characteristics

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

Dobson, Patrick; Houseworth, James

2013-11-22

The objective of this report is to build upon previous compilations of shale formations within many of the major sedimentary basins in the US by developing GIS data delineating isopach and structural depth maps for many of these units. These data are being incorporated into the LANL digital GIS database being developed for determining host rock distribution and depth/thickness parameters consistent with repository design. Methods were developed to assess hydrological and geomechanical properties and conditions for shale formations based on sonic velocity measurements.

Embracing the quantum limit in silicon computing.

PubMed

Morton, John J L; McCamey, Dane R; Eriksson, Mark A; Lyon, Stephen A

2011-11-16

Quantum computers hold the promise of massive performance enhancements across a range of applications, from cryptography and databases to revolutionary scientific simulation tools. Such computers would make use of the same quantum mechanical phenomena that pose limitations on the continued shrinking of conventional information processing devices. Many of the key requirements for quantum computing differ markedly from those of conventional computers. However, silicon, which plays a central part in conventional information processing, has many properties that make it a superb platform around which to build a quantum computer. © 2011 Macmillan Publishers Limited. All rights reserved

Zirconia in dental implantology: A review

PubMed Central

Apratim, Abhishek; Eachempati, Prashanti; Krishnappa Salian, Kiran Kumar; Singh, Vijendra; Chhabra, Saurabh; Shah, Sanket

2015-01-01

Background: Titanium has been the most popular material of choice for dental implantology over the past few decades. Its properties have been found to be most suitable for the success of implant treatment. But recently, zirconia is slowly emerging as one of the materials which might replace the gold standard of dental implant, i.e., titanium. Materials and Methods: Literature was searched to retrieve information about zirconia dental implant and studies were critically analyzed. PubMed database was searched for information about zirconia dental implant regarding mechanical properties, osseointegration, surface roughness, biocompatibility, and soft tissue health around it. The literature search was limited to English language articles published from 1975 to 2015. Results: A total of 45 papers met the inclusion criteria for this review, among the relevant search in the database. Conclusion: Literature search showed that some of the properties of zirconia seem to be suitable for making it an ideal dental implant, such as biocompatibility, osseointegration, favourable soft tissue response and aesthetics due to light transmission and its color. At the same time, some studies also point out its drawbacks. It was also found that most of the studies on zirconia dental implants are short-term studies and there is a need for more long-term clinical trials to prove that zirconia is worth enough to replace titanium as a biomaterial in dental implantology. PMID:26236672

Design of two-photon molecular tandem architectures for solar cells by ab initio theory

DOE PAGES

Ornso, Kristian B.; Garcia-Lastra, Juan M.; De La Torre, Gema; ...

2015-03-04

An extensive database of spectroscopic properties of molecules from ab initio calculations is used to design molecular complexes for use in tandem solar cells that convert two photons into a single electron–hole pair, thereby increasing the output voltage while covering a wider spectral range. Three different architectures are considered: the first two involve a complex consisting of two dye molecules with appropriately matched frontier orbitals, connected by a molecular diode. Optimized combinations of dye molecules are determined by taking advantage of our computational database of the structural and energetic properties of several thousand porphyrin dyes. The third design is amore » molecular analogy of the intermediate band solar cell, and involves a single dye molecule with strong intersystem crossing to ensure a long lifetime of the intermediate state. Based on the calculated energy levels and molecular orbitals, energy diagrams are presented for the individual steps in the operation of such tandem solar cells. We find that theoretical open circuit voltages of up to 1.8 V can be achieved using these tandem designs. Questions about the practical implementation of prototypical devices, such as the synthesis of the tandem molecules and potential loss mechanisms, are addressed.« less

Predicting and analyzing DNA-binding domains using a systematic approach to identifying a set of informative physicochemical and biochemical properties

PubMed Central

2011-01-01

Background Existing methods of predicting DNA-binding proteins used valuable features of physicochemical properties to design support vector machine (SVM) based classifiers. Generally, selection of physicochemical properties and determination of their corresponding feature vectors rely mainly on known properties of binding mechanism and experience of designers. However, there exists a troublesome problem for designers that some different physicochemical properties have similar vectors of representing 20 amino acids and some closely related physicochemical properties have dissimilar vectors. Results This study proposes a systematic approach (named Auto-IDPCPs) to automatically identify a set of physicochemical and biochemical properties in the AAindex database to design SVM-based classifiers for predicting and analyzing DNA-binding domains/proteins. Auto-IDPCPs consists of 1) clustering 531 amino acid indices in AAindex into 20 clusters using a fuzzy c-means algorithm, 2) utilizing an efficient genetic algorithm based optimization method IBCGA to select an informative feature set of size m to represent sequences, and 3) analyzing the selected features to identify related physicochemical properties which may affect the binding mechanism of DNA-binding domains/proteins. The proposed Auto-IDPCPs identified m=22 features of properties belonging to five clusters for predicting DNA-binding domains with a five-fold cross-validation accuracy of 87.12%, which is promising compared with the accuracy of 86.62% of the existing method PSSM-400. For predicting DNA-binding sequences, the accuracy of 75.50% was obtained using m=28 features, where PSSM-400 has an accuracy of 74.22%. Auto-IDPCPs and PSSM-400 have accuracies of 80.73% and 82.81%, respectively, applied to an independent test data set of DNA-binding domains. Some typical physicochemical properties discovered are hydrophobicity, secondary structure, charge, solvent accessibility, polarity, flexibility, normalized Van Der Waals volume, pK (pK-C, pK-N, pK-COOH and pK-a(RCOOH)), etc. Conclusions The proposed approach Auto-IDPCPs would help designers to investigate informative physicochemical and biochemical properties by considering both prediction accuracy and analysis of binding mechanism simultaneously. The approach Auto-IDPCPs can be also applicable to predict and analyze other protein functions from sequences. PMID:21342579

Perspective: Interactive material property databases through aggregation of literature data

NASA Astrophysics Data System (ADS)

Seshadri, Ram; Sparks, Taylor D.

2016-05-01

Searchable, interactive, databases of material properties, particularly those relating to functional materials (magnetics, thermoelectrics, photovoltaics, etc.) are curiously missing from discussions of machine-learning and other data-driven methods for advancing new materials discovery. Here we discuss the manual aggregation of experimental data from the published literature for the creation of interactive databases that allow the original experimental data as well additional metadata to be visualized in an interactive manner. The databases described involve materials for thermoelectric energy conversion, and for the electrodes of Li-ion batteries. The data can be subject to machine-learning, accelerating the discovery of new materials.

The IVTANTHERMO-Online database for thermodynamic properties of individual substances with web interface

NASA Astrophysics Data System (ADS)

Belov, G. V.; Dyachkov, S. A.; Levashov, P. R.; Lomonosov, I. V.; Minakov, D. V.; Morozov, I. V.; Sineva, M. A.; Smirnov, V. N.

2018-01-01

The database structure, main features and user interface of an IVTANTHERMO-Online system are reviewed. This system continues the series of the IVTANTHERMO packages developed in JIHT RAS. It includes the database for thermodynamic properties of individual substances and related software for analysis of experimental results, data fitting, calculation and estimation of thermodynamical functions and thermochemistry quantities. In contrast to the previous IVTANTHERMO versions it has a new extensible database design, the client-server architecture, a user-friendly web interface with a number of new features for online and offline data processing.

Final Report - Enhanced LAW Glass Property - Composition Models - Phase 1 VSL-13R2940-1, Rev. 0, dated 9/27/2013

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

Kruger, Albert A.; Muller, I.; Gilbo, K.

2013-11-13

The objectives of this work are aimed at the development of enhanced LAW propertycomposition models that expand the composition region covered by the models. The models of interest include PCT, VHT, viscosity and electrical conductivity. This is planned as a multi-year effort that will be performed in phases with the objectives listed below for the current phase.  Incorporate property- composition data from the new glasses into the database.  Assess the database and identify composition spaces in the database that need augmentation.  Develop statistically-designed composition matrices to cover the composition regions identified in the above analysis.  Preparemore » crucible melts of glass compositions from the statistically-designed composition matrix and measure the properties of interest.  Incorporate the above property-composition data into the database.  Assess existing models against the complete dataset and, as necessary, start development of new models.« less

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.

PHASE I MATERIALS PROPERTY DATABASE DEVELOPMENT FOR ASME CODES AND STANDARDS

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

Ren, Weiju; Lin, Lianshan

2013-01-01

To support the ASME Boiler and Pressure Vessel Codes and Standard (BPVC) in modern information era, development of a web-based materials property database is initiated under the supervision of ASME Committee on Materials. To achieve efficiency, the project heavily draws upon experience from development of the Gen IV Materials Handbook and the Nuclear System Materials Handbook. The effort is divided into two phases. Phase I is planned to deliver a materials data file warehouse that offers a depository for various files containing raw data and background information, and Phase II will provide a relational digital database that provides advanced featuresmore » facilitating digital data processing and management. Population of the database will start with materials property data for nuclear applications and expand to data covering the entire ASME Code and Standards including the piping codes as the database structure is continuously optimized. The ultimate goal of the effort is to establish a sound cyber infrastructure that support ASME Codes and Standards development and maintenance.« less

Multiscale approach including microfibril scale to assess elastic constants of cortical bone based on neural network computation and homogenization method.

PubMed

Barkaoui, Abdelwahed; Chamekh, Abdessalem; Merzouki, Tarek; Hambli, Ridha; Mkaddem, Ali

2014-03-01

The complexity and heterogeneity of bone tissue require a multiscale modeling to understand its mechanical behavior and its remodeling mechanisms. In this paper, a novel multiscale hierarchical approach including microfibril scale based on hybrid neural network (NN) computation and homogenization equations was developed to link nanoscopic and macroscopic scales to estimate the elastic properties of human cortical bone. The multiscale model is divided into three main phases: (i) in step 0, the elastic constants of collagen-water and mineral-water composites are calculated by averaging the upper and lower Hill bounds; (ii) in step 1, the elastic properties of the collagen microfibril are computed using a trained NN simulation. Finite element calculation is performed at nanoscopic levels to provide a database to train an in-house NN program; and (iii) in steps 2-10 from fibril to continuum cortical bone tissue, homogenization equations are used to perform the computation at the higher scales. The NN outputs (elastic properties of the microfibril) are used as inputs for the homogenization computation to determine the properties of mineralized collagen fibril. The mechanical and geometrical properties of bone constituents (mineral, collagen, and cross-links) as well as the porosity were taken in consideration. This paper aims to predict analytically the effective elastic constants of cortical bone by modeling its elastic response at these different scales, ranging from the nanostructural to mesostructural levels. Our findings of the lowest scale's output were well integrated with the other higher levels and serve as inputs for the next higher scale modeling. Good agreement was obtained between our predicted results and literature data. Copyright © 2013 John Wiley & Sons, Ltd.

NCAD, a database integrating the intrinsic conformational preferences of non-coded amino acids

PubMed Central

Revilla-López, Guillem; Torras, Juan; Curcó, David; Casanovas, Jordi; Calaza, M. Isabel; Zanuy, David; Jiménez, Ana I.; Cativiela, Carlos; Nussinov, Ruth; Grodzinski, Piotr; Alemán, Carlos

2010-01-01

Peptides and proteins find an ever-increasing number of applications in the biomedical and materials engineering fields. The use of non-proteinogenic amino acids endowed with diverse physicochemical and structural features opens the possibility to design proteins and peptides with novel properties and functions. Moreover, non-proteinogenic residues are particularly useful to control the three-dimensional arrangement of peptidic chains, which is a crucial issue for most applications. However, information regarding such amino acids –also called non-coded, non-canonical or non-standard– is usually scattered among publications specialized in quite diverse fields as well as in patents. Making all these data useful to the scientific community requires new tools and a framework for their assembly and coherent organization. We have successfully compiled, organized and built a database (NCAD, Non-Coded Amino acids Database) containing information about the intrinsic conformational preferences of non-proteinogenic residues determined by quantum mechanical calculations, as well as bibliographic information about their synthesis, physical and spectroscopic characterization, conformational propensities established experimentally, and applications. The architecture of the database is presented in this work together with the first family of non-coded residues included, namely, α-tetrasubstituted α-amino acids. Furthermore, the NCAD usefulness is demonstrated through a test-case application example. PMID:20455555

A Methodolgy, Based on Analytical Modeling, for the Design of Parallel and Distributed Architectures for Relational Database Query Processors.

DTIC Science & Technology

1987-12-01

Application Programs Intelligent Disk Database Controller Manangement System Operating System Host .1’ I% Figure 2. Intelligent Disk Controller Application...8217. /- - • Database Control -% Manangement System Disk Data Controller Application Programs Operating Host I"" Figure 5. Processor-Per- Head data. Therefore, the...However. these ad- ditional properties have been proven in classical set and relation theory [75]. These additional properties are described here

Proteomic platform for the identification of proteins in olive (Olea europaea) pulp.

PubMed

Capriotti, Anna Laura; Cavaliere, Chiara; Foglia, Patrizia; Piovesana, Susy; Samperi, Roberto; Stampachiacchiere, Serena; Laganà, Aldo

2013-10-24

The nutritional and cancer-protective properties of the oil extracted mechanically from the ripe fruits of Olea europaea trees are attracting constantly more attention worldwide. The preparation of high-quality protein samples from plant tissues for proteomic analysis poses many challenging problems. In this study we employed a proteomic platform based on two different extraction methods, SDS and CHAPS based protocols, followed by two precipitation protocols, TCA/acetone and MeOH precipitation, in order to increase the final number of identified proteins. The use of advanced MS techniques in combination with the Swissprot and NCBI Viridiplantae databases and TAIR10 Arabidopsis database allowed us to identify 1265 proteins, of which 22 belong to O. europaea. The application of this proteomic platform for protein extraction and identification will be useful also for other proteomic studies on recalcitrant plant/fruit tissues. Copyright © 2013. Published by Elsevier B.V.

LigandBox: A database for 3D structures of chemical compounds

PubMed Central

Kawabata, Takeshi; Sugihara, Yusuke; Fukunishi, Yoshifumi; Nakamura, Haruki

2013-01-01

A database for the 3D structures of available compounds is essential for the virtual screening by molecular docking. We have developed the LigandBox database (http://ligandbox.protein.osaka-u.ac.jp/ligandbox/) containing four million available compounds, collected from the catalogues of 37 commercial suppliers, and approved drugs and biochemical compounds taken from KEGG_DRUG, KEGG_COMPOUND and PDB databases. Each chemical compound in the database has several 3D conformers with hydrogen atoms and atomic charges, which are ready to be docked into receptors using docking programs. The 3D conformations were generated using our molecular simulation program package, myPresto. Various physical properties, such as aqueous solubility (LogS) and carcinogenicity have also been calculated to characterize the ADME-Tox properties of the compounds. The Web database provides two services for compound searches: a property/chemical ID search and a chemical structure search. The chemical structure search is performed by a descriptor search and a maximum common substructure (MCS) search combination, using our program kcombu. By specifying a query chemical structure, users can find similar compounds among the millions of compounds in the database within a few minutes. Our database is expected to assist a wide range of researchers, in the fields of medical science, chemical biology, and biochemistry, who are seeking to discover active chemical compounds by the virtual screening. PMID:27493549

LigandBox: A database for 3D structures of chemical compounds.

PubMed

Kawabata, Takeshi; Sugihara, Yusuke; Fukunishi, Yoshifumi; Nakamura, Haruki

2013-01-01

A database for the 3D structures of available compounds is essential for the virtual screening by molecular docking. We have developed the LigandBox database (http://ligandbox.protein.osaka-u.ac.jp/ligandbox/) containing four million available compounds, collected from the catalogues of 37 commercial suppliers, and approved drugs and biochemical compounds taken from KEGG_DRUG, KEGG_COMPOUND and PDB databases. Each chemical compound in the database has several 3D conformers with hydrogen atoms and atomic charges, which are ready to be docked into receptors using docking programs. The 3D conformations were generated using our molecular simulation program package, myPresto. Various physical properties, such as aqueous solubility (LogS) and carcinogenicity have also been calculated to characterize the ADME-Tox properties of the compounds. The Web database provides two services for compound searches: a property/chemical ID search and a chemical structure search. The chemical structure search is performed by a descriptor search and a maximum common substructure (MCS) search combination, using our program kcombu. By specifying a query chemical structure, users can find similar compounds among the millions of compounds in the database within a few minutes. Our database is expected to assist a wide range of researchers, in the fields of medical science, chemical biology, and biochemistry, who are seeking to discover active chemical compounds by the virtual screening.

S-World: A high resolution global soil database for simulation modelling (Invited)

NASA Astrophysics Data System (ADS)

Stoorvogel, J. J.

2013-12-01

There is an increasing call for high resolution soil information at the global level. A good example for such a call is the Global Gridded Crop Model Intercomparison carried out within AgMIP. While local studies can make use of surveying techniques to collect additional techniques this is practically impossible at the global level. It is therefore important to rely on legacy data like the Harmonized World Soil Database. Several efforts do exist that aim at the development of global gridded soil property databases. These estimates of the variation of soil properties can be used to assess e.g., global soil carbon stocks. However, they do not allow for simulation runs with e.g., crop growth simulation models as these models require a description of the entire pedon rather than a few soil properties. This study provides the required quantitative description of pedons at a 1 km resolution for simulation modelling. It uses the Harmonized World Soil Database (HWSD) for the spatial distribution of soil types, the ISRIC-WISE soil profile database to derive information on soil properties per soil type, and a range of co-variables on topography, climate, and land cover to further disaggregate the available data. The methodology aims to take stock of these available data. The soil database is developed in five main steps. Step 1: All 148 soil types are ordered on the basis of their expected topographic position using e.g., drainage, salinization, and pedogenesis. Using the topographic ordering and combining the HWSD with a digital elevation model allows for the spatial disaggregation of the composite soil units. This results in a new soil map with homogeneous soil units. Step 2: The ranges of major soil properties for the topsoil and subsoil of each of the 148 soil types are derived from the ISRIC-WISE soil profile database. Step 3: A model of soil formation is developed that focuses on the basic conceptual question where we are within the range of a particular soil property at a particular location given a specific soil type. The soil properties are predicted for each grid cell based on the soil type, the corresponding ranges of soil properties, and the co-variables. Step 4: Standard depth profiles are developed for each of the soil types using the diagnostic criteria of the soil types and soil profile information from the ISRIC-WISE database. The standard soil profiles are combined with the the predicted values for the topsoil and subsoil yielding unique soil profiles at each location. Step 5: In a final step, additional soil properties are added to the database using averages for the soil types and pedo-transfer functions. The methodology, denominated S-World (Soils of the World), results in readily available global maps with quantitative pedon data for modelling purposes. It forms the basis for the Global Gridded Crop Model Intercomparison carried out within AgMIP.

An Initial Design of ISO 19152:2012 LADM Based Valuation and Taxation Data Model

NASA Astrophysics Data System (ADS)

Çağdaş, V.; Kara, A.; van Oosterom, P.; Lemmen, C.; Işıkdağ, Ü.; Kathmann, R.; Stubkjær, E.

2016-10-01

A fiscal registry or database is supposed to record geometric, legal, physical, economic, and environmental characteristics in relation to property units, which are subject to immovable property valuation and taxation. Apart from procedural standards, there is no internationally accepted data standard that defines the semantics of fiscal databases. The ISO 19152:2012 Land Administration Domain Model (LADM), as an international land administration standard focuses on legal requirements, but considers out of scope specifications of external information systems including valuation and taxation databases. However, it provides a formalism which allows for an extension that responds to the fiscal requirements. This paper introduces an initial version of a LADM - Fiscal Extension Module for the specification of databases used in immovable property valuation and taxation. The extension module is designed to facilitate all stages of immovable property taxation, namely the identification of properties and taxpayers, assessment of properties through single or mass appraisal procedures, automatic generation of sales statistics, and the management of tax collection, dealing with arrears and appeals. It is expected that the initial version will be refined through further activities held by a possible joint working group under FIG Commission 7 (Cadastre and Land Management) and FIG Commission 9 (Valuation and the Management of Real Estate) in collaboration with other relevant international bodies.

Design, construction and mechanical testing of digital 3D anatomical data-based PCL-HA bone tissue engineering scaffold.

PubMed

Yao, Qingqiang; Wei, Bo; Guo, Yang; Jin, Chengzhe; Du, Xiaotao; Yan, Chao; Yan, Junwei; Hu, Wenhao; Xu, Yan; Zhou, Zhi; Wang, Yijin; Wang, Liming

2015-01-01

The study aims to investigate the techniques of design and construction of CT 3D reconstructional data-based polycaprolactone (PCL)-hydroxyapatite (HA) scaffold. Femoral and lumbar spinal specimens of eight male New Zealand white rabbits were performed CT and laser scanning data-based 3D printing scaffold processing using PCL-HA powder. Each group was performed eight scaffolds. The CAD-based 3D printed porous cylindrical stents were 16 piece × 3 groups, including the orthogonal scaffold, the Pozi-hole scaffold and the triangular hole scaffold. The gross forms, fiber scaffold diameters and porosities of the scaffolds were measured, and the mechanical testing was performed towards eight pieces of the three kinds of cylindrical scaffolds, respectively. The loading force, deformation, maximum-affordable pressure and deformation value were recorded. The pore-connection rate of each scaffold was 100 % within each group, there was no significant difference in the gross parameters and micro-structural parameters of each scaffold when compared with the design values (P > 0.05). There was no significant difference in the loading force, deformation and deformation value under the maximum-affordable pressure of the three different cylinder scaffolds when the load was above 320 N. The combination of CT and CAD reverse technology could accomplish the design and manufacturing of complex bone tissue engineering scaffolds, with no significant difference in the impacts of the microstructures towards the physical properties of different porous scaffolds under large load.

40 CFR 312.26 - Reviews of Federal, State, Tribal, and local government records.

Code of Federal Regulations, 2010 CFR

2010-07-01

... use restrictions, applicable to the subject property. (c) With regard to nearby or adjoining properties, the review of federal, tribal, state, and local government records or databases of government... records of reported releases or threatened releases. Such records or databases containing such records and...

First year progress report on the development of the Texas flexible pavement database.

DOT National Transportation Integrated Search

2008-01-01

Comprehensive and reliable databases are essential for the development, validation, and calibration of any pavement : design and rehabilitation system. These databases should include material properties, pavement structural : characteristics, highway...

Structural Ceramics Database

National Institute of Standards and Technology Data Gateway

SRD 30 NIST Structural Ceramics Database (Web, free access)   The NIST Structural Ceramics Database (WebSCD) provides evaluated materials property data for a wide range of advanced ceramics known variously as structural ceramics, engineering ceramics, and fine ceramics.

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.

Development and Demonstration of Material Properties Database and Software for the Simulation of Flow Properties in Cementitious Materials

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

Smith, F.; Flach, G.

This report describes work performed by the Savannah River National Laboratory (SRNL) in fiscal year 2014 to develop a new Cementitious Barriers Project (CBP) software module designated as FLOExcel. FLOExcel incorporates a uniform database to capture material characterization data and a GoldSim model to define flow properties for both intact and fractured cementitious materials and estimate Darcy velocity based on specified hydraulic head gradient and matric tension. The software module includes hydraulic parameters for intact cementitious and granular materials in the database and a standalone GoldSim framework to manipulate the data. The database will be updated with new data asmore » it comes available. The software module will later be integrated into the next release of the CBP Toolbox, Version 3.0. This report documents the development efforts for this software module. The FY14 activities described in this report focused on the following two items that form the FLOExcel package; 1) Development of a uniform database to capture CBP data for cementitious materials. In particular, the inclusion and use of hydraulic properties of the materials are emphasized; and 2) Development of algorithms and a GoldSim User Interface to calculate hydraulic flow properties of degraded and fractured cementitious materials. Hydraulic properties are required in a simulation of flow through cementitious materials such as Saltstone, waste tank fill grout, and concrete barriers. At SRNL these simulations have been performed using the PORFLOW code as part of Performance Assessments for salt waste disposal and waste tank closure.« less

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

NASA Astrophysics Data System (ADS)

Gao, Connie W.; Allen, Joshua W.; Green, William H.; West, Richard H.

2016-06-01

Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react. Species thermochemistry is estimated through Benson group additivity and reaction rate coefficients are estimated using a database of known rate rules and reaction templates. At its core, RMG relies on two fundamental data structures: graphs and trees. Graphs are used to represent chemical structures, and trees are used to represent thermodynamic and kinetic data. Models are generated using a rate-based algorithm which excludes species from the model based on reaction fluxes. RMG can generate reaction mechanisms for species involving carbon, hydrogen, oxygen, sulfur, and nitrogen. It also has capabilities for estimating transport and solvation properties, and it automatically computes pressure-dependent rate coefficients and identifies chemically-activated reaction paths. RMG is an object-oriented program written in Python, which provides a stable, robust programming architecture for developing an extensible and modular code base with a large suite of unit tests. Computationally intensive functions are cythonized for speed improvements.

Establishment of Low Energy Building materials and Equipment Database Based on Property Information

NASA Astrophysics Data System (ADS)

Kim, Yumin; Shin, Hyery; eon Lee, Seung

2018-03-01

The purpose of this study is to provide reliable service of materials information portal through the establishment of public big data by collecting and integrating scattered low energy building materials and equipment data. There were few cases of low energy building materials database in Korea have provided material properties as factors influencing material pricing. The framework of the database was defined referred with Korea On-line E-procurement system. More than 45,000 data were gathered by the specification of entities and with the gathered data, price prediction models for chillers were suggested. To improve the usability of the prediction model, detailed properties should be analysed for each item.

Deppdb--DNA electrostatic potential properties database: electrostatic properties of genome DNA.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Kamzolova, Svetlana G

2010-06-01

The electrostatic properties of genome DNA influence its interactions with different proteins, in particular, the regulation of transcription by RNA-polymerases. DEPPDB--DNA Electrostatic Potential Properties Database--was developed to hold and provide all available information on the electrostatic properties of genome DNA combined with its sequence and annotation of biological and structural properties of genome elements and whole genomes. Genomes in DEPPDB are organized on a taxonomical basis. Currently, the database contains all the completely sequenced bacterial and viral genomes according to NCBI RefSeq. General properties of the genome DNA electrostatic potential profile and principles of its formation are revealed. This potential correlates with the GC content but does not correspond to it exactly and strongly depends on both the sequence arrangement and its context (flanking regions). Analysis of the promoter regions for bacterial and viral RNA polymerases revealed a correspondence between the scale of these proteins' physical properties and electrostatic profile patterns. We also discovered a direct correlation between the potential value and the binding frequency of RNA polymerase to DNA, supporting the idea of the role of electrostatics in these interactions. This matches a pronounced tendency of the promoter regions to possess higher values of the electrostatic potential.

ThermoData Engine Database - Pure Compounds and Binary Mixtures

National Institute of Standards and Technology Data Gateway

SRD 103b NIST ThermoData Engine Version 6.0 - Pure CompoThermoData Engine Database - Pure Compounds and Binary Mixtures (PC database for purchase)   This database contains property data for more than 21,000 pure compounds, 37,500 binary mixtures, 10,000 ternary mixtures, and 6,000 chemical reactions.

FLASHFLOOD: A 3D Field-based similarity search and alignment method for flexible molecules

NASA Astrophysics Data System (ADS)

Pitman, Michael C.; Huber, Wolfgang K.; Horn, Hans; Krämer, Andreas; Rice, Julia E.; Swope, William C.

2001-07-01

A three-dimensional field-based similarity search and alignment method for flexible molecules is introduced. The conformational space of a flexible molecule is represented in terms of fragments and torsional angles of allowed conformations. A user-definable property field is used to compute features of fragment pairs. Features are generalizations of CoMMA descriptors (Silverman, B.D. and Platt, D.E., J. Med. Chem., 39 (1996) 2129.) that characterize local regions of the property field by its local moments. The features are invariant under coordinate system transformations. Features taken from a query molecule are used to form alignments with fragment pairs in the database. An assembly algorithm is then used to merge the fragment pairs into full structures, aligned to the query. Key to the method is the use of a context adaptive descriptor scaling procedure as the basis for similarity. This allows the user to tune the weights of the various feature components based on examples relevant to the particular context under investigation. The property fields may range from simple, phenomenological fields, to fields derived from quantum mechanical calculations. We apply the method to the dihydrofolate/methotrexate benchmark system, and show that when one injects relevant contextual information into the descriptor scaling procedure, better results are obtained more efficiently. We also show how the method works and include computer times for a query from a database that represents approximately 23 million conformers of seventeen flexible molecules.

Structure for Storing Properties of Particles (PoP)

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

Patel, N. R.; Mattoon, C. M.; Beck, B. R.

2014-06-01

Some evaluated nuclear databases are critical for applications such as nuclear energy, nuclear medicine, homeland security, and stockpile stewardship. Particle masses, nuclear excitation levels, and other “Properties of Particles” are essential for making evaluated nuclear databases. Currently, these properties are obtained from various databases that are stored in outdated formats. Moreover, the “Properties of Particles” (PoP) structure is being designed that will allow storing all information for one or more particles in a single place, so that each evaluation, simulation, model calculation, etc. can link to the same data. Information provided in PoP will include properties of nuclei, gammas andmore » electrons (along with other particles such as pions, as evaluations extend to higher energies). Presently, PoP includes masses from the Atomic Mass Evaluation version 2003 (AME2003), and level schemes and gamma decays from the Reference Input Parameter Library (RIPL-3). The data are stored in a hierarchical structure. An example of how PoP stores nuclear masses and energy levels will be presented here.« less

Structure for Storing Properties of Particles (PoP)

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

Patel, N.R., E-mail: infinidhi@llnl.gov; Mattoon, C.M.; Beck, B.R.

2014-06-15

Evaluated nuclear databases are critical for applications such as nuclear energy, nuclear medicine, homeland security, and stockpile stewardship. Particle masses, nuclear excitation levels, and other “Properties of Particles” are essential for making evaluated nuclear databases. Currently, these properties are obtained from various databases that are stored in outdated formats. A “Properties of Particles” (PoP) structure is being designed that will allow storing all information for one or more particles in a single place, so that each evaluation, simulation, model calculation, etc. can link to the same data. Information provided in PoP will include properties of nuclei, gammas and electrons (alongmore » with other particles such as pions, as evaluations extend to higher energies). Presently, PoP includes masses from the Atomic Mass Evaluation version 2003 (AME2003), and level schemes and gamma decays from the Reference Input Parameter Library (RIPL-3). The data are stored in a hierarchical structure. An example of how PoP stores nuclear masses and energy levels will be presented here.« less

SAbDab: the structural antibody database

PubMed Central

Dunbar, James; Krawczyk, Konrad; Leem, Jinwoo; Baker, Terry; Fuchs, Angelika; Georges, Guy; Shi, Jiye; Deane, Charlotte M.

2014-01-01

Structural antibody database (SAbDab; http://opig.stats.ox.ac.uk/webapps/sabdab) is an online resource containing all the publicly available antibody structures annotated and presented in a consistent fashion. The data are annotated with several properties including experimental information, gene details, correct heavy and light chain pairings, antigen details and, where available, antibody–antigen binding affinity. The user can select structures, according to these attributes as well as structural properties such as complementarity determining region loop conformation and variable domain orientation. Individual structures, datasets and the complete database can be downloaded. PMID:24214988

PropBase Query Layer: a single portal to UK subsurface physical property databases

NASA Astrophysics Data System (ADS)

Kingdon, Andrew; Nayembil, Martin L.; Richardson, Anne E.; Smith, A. Graham

2013-04-01

Until recently, the delivery of geological information for industry and public was achieved by geological mapping. Now pervasively available computers mean that 3D geological models can deliver realistic representations of the geometric location of geological units, represented as shells or volumes. The next phase of this process is to populate these with physical properties data that describe subsurface heterogeneity and its associated uncertainty. Achieving this requires capture and serving of physical, hydrological and other property information from diverse sources to populate these models. The British Geological Survey (BGS) holds large volumes of subsurface property data, derived both from their own research data collection and also other, often commercially derived data sources. This can be voxelated to incorporate this data into the models to demonstrate property variation within the subsurface geometry. All property data held by BGS has for many years been stored in relational databases to ensure their long-term continuity. However these have, by necessity, complex structures; each database contains positional reference data and model information, and also metadata such as sample identification information and attributes that define the source and processing. Whilst this is critical to assessing these analyses, it also hugely complicates the understanding of variability of the property under assessment and requires multiple queries to study related datasets making extracting physical properties from these databases difficult. Therefore the PropBase Query Layer has been created to allow simplified aggregation and extraction of all related data and its presentation of complex data in simple, mostly denormalized, tables which combine information from multiple databases into a single system. The structure from each relational database is denormalized in a generalised structure, so that each dataset can be viewed together in a common format using a simple interface. Data are re-engineered to facilitate easy loading. The query layer structure comprises tables, procedures, functions, triggers, views and materialised views. The structure contains a main table PRB_DATA which contains all of the data with the following attribution: • a unique identifier • the data source • the unique identifier from the parent database for traceability • the 3D location • the property type • the property value • the units • necessary qualifiers • precision information and an audit trail Data sources, property type and units are constrained by dictionaries, a key component of the structure which defines what properties and inheritance hierarchies are to be coded and also guides the process as to what and how these are extracted from the structure. Data types served by the Query Layer include site investigation derived geotechnical data, hydrogeology datasets, regional geochemistry, geophysical logs as well as lithological and borehole metadata. The size and complexity of the data sets with multiple parent structures requires a technically robust approach to keep the layer synchronised. This is achieved through Oracle procedures written in PL/SQL containing the logic required to carry out the data manipulation (inserts, updates, deletes) to keep the layer synchronised with the underlying databases either as regular scheduled jobs (weekly, monthly etc) or invoked on demand. The PropBase Query Layer's implementation has enabled rapid data discovery, visualisation and interpretation of geological data with greater ease, simplifying the parametrisation of 3D model volumes and facilitating the study of intra-unit heterogeneity.

Designing drugs on the internet? Free web tools and services supporting medicinal chemistry.

PubMed

Ertl, Peter; Jelfs, Stephen

2007-01-01

The drug discovery process is supported by a multitude of freely available tools on the Internet. This paper summarizes some of the databases and tools that are of particular interest to medicinal chemistry. These include numerous data collections that provide access to valuable chemical data resources, allowing complex queries of compound structures, associated physicochemical properties and biological activities to be performed and, in many cases, providing links to commercial chemical suppliers. Further applications are available for searching protein-ligand complexes and identifying important binding interactions that occur. This is particularly useful for understanding the molecular recognition of ligands in the lead optimization process. The Internet also provides access to databases detailing metabolic pathways and transformations which can provide insight into disease mechanism, identify new targets entities or the potential off-target effects of a drug candidate. Furthermore, sophisticated online cheminformatics tools are available for processing chemical structures, predicting properties, and generating 2D or 3D structure representations--often required prior to more advanced analyses. The Internet provides a wealth of valuable resources that, if fully exploited, can greatly benefit the drug discovery community. In this paper, we provide an overview of some of the more important of these and, in particular, the freely accessible resources that are currently available.

Materials And Processes Technical Information System (MAPTIS) LDEF materials database

NASA Technical Reports Server (NTRS)

Davis, John M.; Strickland, John W.

1992-01-01

The Materials and Processes Technical Information System (MAPTIS) is a collection of materials data which was computerized and is available to engineers in the aerospace community involved in the design and development of spacecraft and related hardware. Consisting of various database segments, MAPTIS provides the user with information such as material properties, test data derived from tests specifically conducted for qualification of materials for use in space, verification and control, project management, material information, and various administrative requirements. A recent addition to the project management segment consists of materials data derived from the LDEF flight. This tremendous quantity of data consists of both pre-flight and post-flight data in such diverse areas as optical/thermal, mechanical and electrical properties, atomic concentration surface analysis data, as well as general data such as sample placement on the satellite, A-O flux, equivalent sun hours, etc. Each data point is referenced to the primary investigator(s) and the published paper from which the data was taken. The MAPTIS system is envisioned to become the central location for all LDEF materials data. This paper consists of multiple parts, comprising a general overview of the MAPTIS System and the types of data contained within, and the specific LDEF data element and the data contained in that segment.

Selecting Data-Base Management Software for Microcomputers in Libraries and Information Units.

ERIC Educational Resources Information Center

Pieska, K. A. O.

1986-01-01

Presents a model for the evaluation of database management systems software from the viewpoint of librarians and information specialists. The properties of data management systems, database management systems, and text retrieval systems are outlined and compared. (10 references) (CLB)

DEPPDB - DNA electrostatic potential properties database. Electrostatic properties of genome DNA elements.

PubMed

Osypov, Alexander A; Krutinin, Gleb G; Krutinina, Eugenia A; Kamzolova, Svetlana G

2012-04-01

Electrostatic properties of genome DNA are important to its interactions with different proteins, in particular, related to transcription. DEPPDB - DNA Electrostatic Potential (and other Physical) Properties Database - provides information on the electrostatic and other physical properties of genome DNA combined with its sequence and annotation of biological and structural properties of genomes and their elements. Genomes are organized on taxonomical basis, supporting comparative and evolutionary studies. Currently, DEPPDB contains all completely sequenced bacterial, viral, mitochondrial, and plastids genomes according to the NCBI RefSeq, and some model eukaryotic genomes. Data for promoters, regulation sites, binding proteins, etc., are incorporated from established DBs and literature. The database is complemented by analytical tools. User sequences calculations are available. Case studies discovered electrostatics complementing DNA bending in E.coli plasmid BNT2 promoter functioning, possibly affecting host-environment metabolic switch. Transcription factors binding sites gravitate to high potential regions, confirming the electrostatics universal importance in protein-DNA interactions beyond the classical promoter-RNA polymerase recognition and regulation. Other genome elements, such as terminators, also show electrostatic peculiarities. Most intriguing are gene starts, exhibiting taxonomic correlations. The necessity of the genome electrostatic properties studies is discussed.

Preliminary surficial geologic map database of the Amboy 30 x 60 minute quadrangle, California

USGS Publications Warehouse

Bedford, David R.; Miller, David M.; Phelps, Geoffrey A.

2006-01-01

The surficial geologic map database of the Amboy 30x60 minute quadrangle presents characteristics of surficial materials for an area approximately 5,000 km2 in the eastern Mojave Desert of California. This map consists of new surficial mapping conducted between 2000 and 2005, as well as compilations of previous surficial mapping. Surficial geology units are mapped and described based on depositional process and age categories that reflect the mode of deposition, pedogenic effects occurring post-deposition, and, where appropriate, the lithologic nature of the material. The physical properties recorded in the database focus on those that drive hydrologic, biologic, and physical processes such as particle size distribution (PSD) and bulk density. This version of the database is distributed with point data representing locations of samples for both laboratory determined physical properties and semi-quantitative field-based information. Future publications will include the field and laboratory data as well as maps of distributed physical properties across the landscape tied to physical process models where appropriate. The database is distributed in three parts: documentation, spatial map-based data, and printable map graphics of the database. Documentation includes this file, which provides a discussion of the surficial geology and describes the format and content of the map data, a database 'readme' file, which describes the database contents, and FGDC metadata for the spatial map information. Spatial data are distributed as Arc/Info coverage in ESRI interchange (e00) format, or as tabular data in the form of DBF3-file (.DBF) file formats. Map graphics files are distributed as Postscript and Adobe Portable Document Format (PDF) files, and are appropriate for representing a view of the spatial database at the mapped scale.

Database of traditional Chinese medicine and its application to studies of mechanism and to prescription validation.

PubMed

Chen, X; Zhou, H; Liu, Y B; Wang, J F; Li, H; Ung, C Y; Han, L Y; Cao, Z W; Chen, Y Z

2006-12-01

Traditional Chinese Medicine (TCM) is widely practised and is viewed as an attractive alternative to conventional medicine. Quantitative information about TCM prescriptions, constituent herbs and herbal ingredients is necessary for studying and exploring TCM. We manually collected information on TCM in books and other printed sources in Medline. The Traditional Chinese Medicine Information Database TCM-ID, at http://tcm.cz3.nus.edu.sg/group/tcm-id/tcmid.asp, was introduced for providing comprehensive information about all aspects of TCM including prescriptions, constituent herbs, herbal ingredients, molecular structure and functional properties of active ingredients, therapeutic and side effects, clinical indication and application and related matters. TCM-ID currently contains information for 1,588 prescriptions, 1,313 herbs, 5,669 herbal ingredients, and the 3D structure of 3,725 herbal ingredients. The value of the data in TCM-ID was illustrated by using some of the data for an in-silico study of molecular mechanism of the therapeutic effects of herbal ingredients and for developing a computer program to validate TCM multi-herb preparations. The development of systems biology has led to a new design principle for therapeutic intervention strategy, the concept of 'magic shrapnel' (rather than the 'magic bullet'), involving many drugs against multiple targets, administered in a single treatment. TCM offers an extensive source of examples of this concept in which several active ingredients in one prescription are aimed at numerous targets and work together to provide therapeutic benefit. The database and its mining applications described here represent early efforts toward exploring TCM for new theories in drug discovery.

Integrating Data Sources for Process Sustainability ...

EPA Pesticide Factsheets

To perform a chemical process sustainability assessment requires significant data about chemicals, process design specifications, and operating conditions. The required information includes the identity of the chemicals used, the quantities of the chemicals within the context of the sustainability assessment, physical properties of these chemicals, equipment inventory, as well as health, environmental, and safety properties of the chemicals. Much of this data are currently available to the process engineer either from the process design in the chemical process simulation software or online through chemical property and environmental, health, and safety databases. Examples of these databases include the U.S. Environmental Protection Agency’s (USEPA’s) Aggregated Computational Toxicology Resource (ACToR), National Institute for Occupational Safety and Health’s (NIOSH’s) Hazardous Substance Database (HSDB), and National Institute of Standards and Technology’s (NIST’s) Chemistry Webbook. This presentation will provide methods and procedures for extracting chemical identity and flow information from process design tools (such as chemical process simulators) and chemical property information from the online databases. The presentation will also demonstrate acquisition and compilation of the data for use in the EPA’s GREENSCOPE process sustainability analysis tool. This presentation discusses acquisition of data for use in rapid LCI development.

From Field to Laboratory: A New Database Approach for Linking Microbial Field Ecology with Laboratory Studies

NASA Technical Reports Server (NTRS)

Bebout, Leslie; Keller, R.; Miller, S.; Jahnke, L.; DeVincenzi, D. (Technical Monitor)

2002-01-01

The Ames Exobiology Culture Collection Database (AECC-DB) has been developed as a collaboration between microbial ecologists and information technology specialists. It allows for extensive web-based archiving of information regarding field samples to document microbial co-habitation of specific ecosystem micro-environments. Documentation and archiving continues as pure cultures are isolated, metabolic properties determined, and DNA extracted and sequenced. In this way metabolic properties and molecular sequences are clearly linked back to specific isolates and the location of those microbes in the ecosystem of origin. Use of this database system presents a significant advancement over traditional bookkeeping wherein there is generally little or no information regarding the environments from which microorganisms were isolated. Generally there is only a general ecosystem designation (i.e., hot-spring). However within each of these there are a myriad of microenvironments with very different properties and determining exactly where (which microenvironment) a given microbe comes from is critical in designing appropriate isolation media and interpreting physiological properties. We are currently using the database to aid in the isolation of a large number of cyanobacterial species and will present results by PI's and students demonstrating the utility of this new approach.

Collection, processing, and reporting of damage tolerant design data for non-aerospace structural materials

NASA Technical Reports Server (NTRS)

Huber, P. D.; Gallagher, J. P.

1994-01-01

This report describes the organization, format and content of the NASA Johnson damage tolerant database which was created to store damage tolerant property data for non aerospace structural materials. The database is designed to store fracture toughness data (K(sub IC), K(sub c), J(sub IC) and CTOD(sub IC)), resistance curve data (K(sub R) VS. delta a (sub eff) and JR VS. delta a (sub eff)), as well as subcritical crack growth data (a vs. N and da/dN vs. delta K). The database contains complementary material property data for both stainless and alloy steels, as well as for aluminum, nickel, and titanium alloys which were not incorporated into the Damage Tolerant Design Handbook database.

Human health risk assessment database, "the NHSRC toxicity value database": supporting the risk assessment process at US EPA's National Homeland Security Research Center.

PubMed

Moudgal, Chandrika J; Garrahan, Kevin; Brady-Roberts, Eletha; Gavrelis, Naida; Arbogast, Michelle; Dun, Sarah

2008-11-15

The toxicity value database of the United States Environmental Protection Agency's (EPA) National Homeland Security Research Center has been in development since 2004. The toxicity value database includes a compilation of agent property, toxicity, dose-response, and health effects data for 96 agents: 84 chemical and radiological agents and 12 biotoxins. The database is populated with multiple toxicity benchmark values and agent property information from secondary sources, with web links to the secondary sources, where available. A selected set of primary literature citations and associated dose-response data are also included. The toxicity value database offers a powerful means to quickly and efficiently gather pertinent toxicity and dose-response data for a number of agents that are of concern to the nation's security. This database, in conjunction with other tools, will play an important role in understanding human health risks, and will provide a means for risk assessors and managers to make quick and informed decisions on the potential health risks and determine appropriate responses (e.g., cleanup) to agent release. A final, stand alone MS ACESSS working version of the toxicity value database was completed in November, 2007.

Managing, profiling and analyzing a library of 2.6 million compounds gathered from 32 chemical providers.

PubMed

Monge, Aurélien; Arrault, Alban; Marot, Christophe; Morin-Allory, Luc

2006-08-01

The data for 3.8 million compounds from structural databases of 32 providers were gathered and stored in a single chemical database. Duplicates are removed using the IUPAC International Chemical Identifier. After this, 2.6 million compounds remain. Each database and the final one were studied in term of uniqueness, diversity, frameworks, 'drug-like' and 'lead-like' properties. This study also shows that there are more than 87 000 frameworks in the database. It contains 2.1 million 'drug-like' molecules among which, more than one million are 'lead-like'. This study has been carried out using 'ScreeningAssistant', a software dedicated to chemical databases management and screening sets generation. Compounds are stored in a MySQL database and all the operations on this database are carried out by Java code. The druglikeness and leadlikeness are estimated with 'in-house' scores using functions to estimate convenience to properties; unicity using the InChI code and diversity using molecular frameworks and fingerprints. The software has been conceived in order to facilitate the update of the database. 'ScreeningAssistant' is freely available under the GPL license.

The Chandra Source Catalog: Storage and Interfaces

NASA Astrophysics Data System (ADS)

van Stone, David; Harbo, Peter N.; Tibbetts, Michael S.; Zografou, Panagoula; Evans, Ian N.; Primini, Francis A.; Glotfelty, Kenny J.; Anderson, Craig S.; Bonaventura, Nina R.; Chen, Judy C.; Davis, John E.; Doe, Stephen M.; Evans, Janet D.; Fabbiano, Giuseppina; Galle, Elizabeth C.; Gibbs, Danny G., II; Grier, John D.; Hain, Roger; Hall, Diane M.; He, Xiang Qun (Helen); Houck, John C.; Karovska, Margarita; Kashyap, Vinay L.; Lauer, Jennifer; McCollough, Michael L.; McDowell, Jonathan C.; Miller, Joseph B.; Mitschang, Arik W.; Morgan, Douglas L.; Mossman, Amy E.; Nichols, Joy S.; Nowak, Michael A.; Plummer, David A.; Refsdal, Brian L.; Rots, Arnold H.; Siemiginowska, Aneta L.; Sundheim, Beth A.; Winkelman, Sherry L.

2009-09-01

The Chandra Source Catalog (CSC) is part of the Chandra Data Archive (CDA) at the Chandra X-ray Center. The catalog contains source properties and associated data objects such as images, spectra, and lightcurves. The source properties are stored in relational databases and the data objects are stored in files with their metadata stored in databases. The CDA supports different versions of the catalog: multiple fixed release versions and a live database version. There are several interfaces to the catalog: CSCview, a graphical interface for building and submitting queries and for retrieving data objects; a command-line interface for property and source searches using ADQL; and VO-compliant services discoverable though the VO registry. This poster describes the structure of the catalog and provides an overview of the interfaces.

The mechanisms for lung cancer risk of PM2.5 : Induction of epithelial-mesenchymal transition and cancer stem cell properties in human non-small cell lung cancer cells.

PubMed

Wei, Hongying; Liang, Fan; Cheng, Wei; Zhou, Ren; Wu, Xiaomeng; Feng, Yan; Wang, Yan

2017-11-01

Fine particulate matter (PM 2.5 ) is a major component of air pollutions that are closely associated with increased risk of lung cancer. However, the role of PM 2.5 in the etiology of lung cancer is largely unknown. In this study, we performed acute (24 hours) and chronic (five passages) exposure models to investigate the carcinogenetic mechanisms of PM 2.5 by targeting the induction of epithelial-mesenchymal transition (EMT) and cancer stem cells (CSC) properties in human non-small cell lung cancer cell line A549. We found that both acute and chronic PM 2.5 exposure enhanced cell migration and invasion, decreased mRNA expression of epithelial markers and increased mRNA expression of mesenchymal markers. Chronic PM 2.5 exposure further induced notable EMT morphology and CSC properties, indicating the developing process of cell malignant behaviors from acute to chronic PM 2.5 exposure. CSC properties induced by chronic PM 2.5 exposure characterized with increased cell-surface markers (CD44, ABCG2), self-renewal genes (SOX2 and OCT4), side population cells and neoplastic capacity. Furthermore, the levels of three stemness-associated microRNAs, Let-7a, miR-16 and miR-34a, were found to be significantly downregulated by chronic PM 2.5 exposure, with microarray data analysis from TCGA database showing their lower expression in human lung adenocarcinoma tissues than that in the adjacent normal lung tissues. These data revealed that the induction of EMT and CSC properties were involved in the lung cancer risk of PM 2.5 , and implicated CSC properties and related microRNAs as possible biomarkers for carcinogenicity prediction of PM 2.5 . © 2017 Wiley Periodicals, Inc.

Establishment of computerized numerical databases on thermophysical and other properties of molten as well as solid materials and data evaluation and validation for generating recommended reliable reference data

NASA Technical Reports Server (NTRS)

Ho, C. Y.

1993-01-01

The Center for Information and Numerical Data Analysis and Synthesis, (CINDAS), measures and maintains databases on thermophysical, thermoradiative, mechanical, optical, electronic, ablation, and physical properties of materials. Emphasis is on aerospace structural materials especially composites and on infrared detector/sensor materials. Within CINDAS, the Department of Defense sponsors at Purdue several centers: the High Temperature Material Information Analysis Center (HTMIAC), the Ceramics Information Analysis Center (CIAC) and the Metals Information Analysis Center (MIAC). The responsibilities of CINDAS are extremely broad encompassing basic and applied research, measurement of the properties of thin wires and thin foils as well as bulk materials, acquisition and search of world-wide literature, critical evaluation of data, generation of estimated values to fill data voids, investigation of constitutive, structural, processing, environmental, and rapid heating and loading effects, and dissemination of data. Liquids, gases, molten materials and solids are all considered. The responsibility of maintaining widely used databases includes data evaluation, analysis, correlation, and synthesis. Material property data recorded on the literature are often conflicting, diverging, and subject to large uncertainties. It is admittedly difficult to accurately measure materials properties. Systematic and random errors both enter. Some errors result from lack of characterization of the material itself (impurity effects). In some cases assumed boundary conditions corresponding to a theoretical model are not obtained in the experiments. Stray heat flows and losses must be accounted for. Some experimental methods are inappropriate and in other cases appropriate methods are carried out with poor technique. Conflicts in data may be resolved by curve fitting of the data to theoretical or empirical models or correlation in terms of various affecting parameters. Reasons (e.g. phase transitions) must be found for unusual dependence or any anomaly. Such critical evaluation involves knowledge of theory, experience in measurement, familiarity with metallurgy (microstructural behavior) and not inconsiderable judgment. An examination of typical data compiled and analyzed by CINDAS shows that the thermal conductivity of a material reported in the literature may vary by a factor of two of more; the range of reported values increases as temperature increases reflecting the difficulty of high temperature measurements. Often only estimates of melt behavior are available, despite the importance of melt properties in modeling, welding, or other solidification processes. There may be only a few measurements available for properties such as kinematic viscosity, even for widely used materials such as stainless steel. In the face of such a paucity of existing data and in a national environment where too few new data are being generated it is nonetheless the responsibility of CINDAS to select and disseminate recommended values of a wide variety of thermophysical properties.

Critical evaluation and thermodynamic optimization of the Iron-Rare-Earth systems

NASA Astrophysics Data System (ADS)

Konar, Bikram

Rare-Earth elements by virtue of its typical magnetic, electronic and chemical properties are gaining importance in power, electronics, telecommunications and sustainable green technology related industries. The Magnets from RE-alloys are more powerful than conventional magnets which have more longevity and high temperature workability. The dis-equilibrium in the Rare-Earth element supply and demand has increased the importance of recycling and extraction of REE's from used permanent Magnets. However, lack of the thermodynamic data on RE alloys has made it difficult to design an effective extraction and recycling process. In this regard, Computational Thermodynamic calculations can serve as a cost effective and less time consuming tool to design a waste magnet recycling process. The most common RE permanent magnet is Nd magnet (Nd 2Fe14B). Various elements such as Dy, Tb, Pr, Cu, Co, Ni, etc. are also added to increase its magnetic and mechanical properties. In order to perform reliable thermodynamic calculations for the RE recycling process, accurate thermodynamic database for RE and related alloys are required. The thermodynamic database can be developed using the so-called CALPHAD method. The database development based on the CALPHAD method is essentially the critical evaluation and optimization of all available thermodynamic and phase diagram data. As a results, one set of self-consistent thermodynamic functions for all phases in the given system can be obtained, which can reproduce all reliable thermodynamic and phase diagram data. The database containing the optimized Gibbs energy functions can be used to calculate complex chemical reactions for any high temperature processes. Typically a Gibbs energy minimization routine, such as in FactSage software, can be used to obtain the accurate thermodynamic equilibrium in multicomponent systems. As part of a large thermodynamic database development for permanent magnet recycling and Mg alloy design, all thermodynamic and phase diagram data in the literature for the fourteen Fe-RE binary systems: Fe-La, Fe-Ce, Fe-Pr, Fe-Nd, Fe-Sm, Fe-Gd, Fe-Tb, Fe-Dy, Fe-Ho, Fe-Er, Fe-Tm, Fe-Lu, Fe-Sc and Fe-Y are critically evaluated and optimized to obtain thermodynamic model parameters. The model parameters can be used to calculate phase diagrams and Gibbs energies of all phases as functions of temperature and composition. This database can be incorporated with the present thermodynamic database in FactSage software to perform complex chemical reactions and phase diagram calculations for RE magnet recycling process.

NanoE-Tox: New and in-depth database concerning ecotoxicity of nanomaterials.

PubMed

Juganson, Katre; Ivask, Angela; Blinova, Irina; Mortimer, Monika; Kahru, Anne

2015-01-01

The increasing production and use of engineered nanomaterials (ENMs) inevitably results in their higher concentrations in the environment. This may lead to undesirable environmental effects and thus warrants risk assessment. The ecotoxicity testing of a wide variety of ENMs rapidly evolving in the market is costly but also ethically questionable when bioassays with vertebrates are conducted. Therefore, alternative methods, e.g., models for predicting toxicity mechanisms of ENMs based on their physico-chemical properties (e.g., quantitative (nano)structure-activity relationships, QSARs/QNARs), should be developed. While the development of such models relies on good-quality experimental toxicity data, most of the available data in the literature even for the same test species are highly variable. In order to map and analyse the state of the art of the existing nanoecotoxicological information suitable for QNARs, we created a database NanoE-Tox that is available as Supporting Information File 1. The database is based on existing literature on ecotoxicology of eight ENMs with different chemical composition: carbon nanotubes (CNTs), fullerenes, silver (Ag), titanium dioxide (TiO2), zinc oxide (ZnO), cerium dioxide (CeO2), copper oxide (CuO), and iron oxide (FeO x ; Fe2O3, Fe3O4). Altogether, NanoE-Tox database consolidates data from 224 articles and lists altogether 1,518 toxicity values (EC50/LC50/NOEC) with corresponding test conditions and physico-chemical parameters of the ENMs as well as reported toxicity mechanisms and uptake of ENMs in the organisms. 35% of the data in NanoE-Tox concerns ecotoxicity of Ag NPs, followed by TiO2 (22%), CeO2 (13%), and ZnO (10%). Most of the data originates from studies with crustaceans (26%), bacteria (17%), fish (13%), and algae (11%). Based on the median toxicity values of the most sensitive organism (data derived from three or more articles) the toxicity order was as follows: Ag > ZnO > CuO > CeO2 > CNTs > TiO2 > FeO x . We believe NanoE-Tox database contains valuable information for ENM environmental hazard estimation and development of models for predicting toxic potential of ENMs.

A database of microwave and sub-millimetre ice particle single scattering properties

NASA Astrophysics Data System (ADS)

Ekelund, Robin; Eriksson, Patrick

2016-04-01

Ice crystal particles are today a large contributing factor as to why cold-type clouds such as cirrus remain a large uncertainty in global climate models and measurements. The reason for this is the complex and varied morphology in which ice particles appear, as compared to liquid droplets with an in general spheroidal shape, thus making the description of electromagnetic properties of ice particles more complicated. Single scattering properties of frozen hydrometers have traditionally been approximated by representing the particles as spheres using Mie theory. While such practices may work well in radio applications, where the size parameter of the particles is generally low, comparisons with measurements and simulations show that this assumption is insufficient when observing tropospheric cloud ice in the microwave or sub-millimetre regions. In order to assist the radiative transfer and remote sensing communities, a database of single scattering properties of semi-realistic particles is being produced. The data is being produced using DDA (Discrete Dipole Approximation) code which can treat arbitrarily shaped particles, and Tmatrix code for simpler shapes when found sufficiently accurate. The aim has been to mainly cover frequencies used by the upcoming ICI (Ice Cloud Imager) mission with launch in 2022. Examples of particles to be included are columns, plates, bullet rosettes, sector snowflakes and aggregates. The idea is to treat particles with good average optical properties with respect to the multitude of particles and aggregate types appearing in nature. The database will initially only cover macroscopically isotropic orientation, but will eventually also include horizontally aligned particles. Databases of DDA particles do already exist with varying accessibility. The goal of this database is to complement existing data. Regarding the distribution of the data, the plan is that the database shall be available in conjunction with the ARTS (Atmospheric Radiative Transfer Simulator) project.

Development of a Knowledge Base of Ti-Alloys From First-Principles and Thermodynamic Modeling

NASA Astrophysics Data System (ADS)

Marker, Cassie

An aging population with an active lifestyle requires the development of better load-bearing implants, which have high levels of biocompatibility and a low elastic modulus. Titanium alloys, in the body centered cubic phase, are great implant candidates, due to their mechanical properties and biocompatibility. The present work aims at investigating the thermodynamic and elastic properties of bcc Tialloys, using the integrated first-principles based on Density Functional Theory (DFT) and the CALculation of PHAse Diagrams (CALPHAD) method. The use of integrated first-principles calculations based on DFT and CALPHAD modeling has greatly reduced the need for trial and error metallurgy, which is ineffective and costly. The phase stability of Ti-alloys has been shown to greatly affect their elastic properties. Traditionally, CALPHAD modeling has been used to predict the equilibrium phase formation, but in the case of Ti-alloys, predicting the formation of two metastable phases o and alpha" is of great importance as these phases also drastically effect the elastic properties. To build a knowledge base of Ti-alloys, for biomedical load-bearing implants, the Ti-Mo-Nb-Sn-Ta-Zr system was studied because of the biocompatibility and the bcc stabilizing effects of some of the elements. With the focus on bcc Ti-rich alloys, a database of thermodynamic descriptions of each phase for the pure elements, binary and Ti-rich ternary alloys was developed in the present work. Previous thermodynamic descriptions for the pure elements were adopted from the widely used SGTE database for global compatibility. The previous binary and ternary models from the literature were evaluated for accuracy and new thermodynamic descriptions were developed when necessary. The models were evaluated using available experimental data, as well as the enthalpy of formation of the bcc phase obtained from first-principles calculations based on DFT. The thermodynamic descriptions were combined into a database ensuring that the sublattice models are compatible with each other. For subsystems, such as the Sn-Ta system, where no thermodynamic description had been evaluated and minimal experimental data was available, first-principles calculations based on DFT were used. The Sn-Ta system has two intermetallic phases, TaSn2 and Ta3Sn, with three solution phases: bcc, body centered tetragonal (bct) and diamond. First-principles calculations were completed on the intermetallic and solution phases. Special quasirandom structures (SQS) were used to obtain information about the solution phases across the entire composition range. The Debye-Gruneisen approach, as well as the quasiharmonic phonon method, were used to obtain the finite-temperature data. Results from the first-principles calculations and experiments were used to complete the thermodynamic description. The resulting phase diagram reproduced the first-principles calculations and experimental data accurately. In order to determine the effect of alloying on the elastic properties, first-principles calculations based on DFT were systematically done on the pure elements, five Ti-X binary systems and Ti-X-Y ternary systems (X ≠ Y = Mo, Nb, Sn, Ta Zr) in the bcc phase. The first-principles calculations predicted the single crystal elastic stiffness constants cij 's. Correspondingly, the polycrystalline aggregate properties were also estimated from the cij's, including bulk modulus B, shear modulus G and Young's modulus E. The calculated results showed good agreement with experimental results. The CALPHAD method was then adapted to assist in the database development of the elastic properties as a function of composition. On average, the database predicted the elastic properties of higher order Ti-alloys within 5 GPa of the experimental results. Finally, the formation of the metastable phases, o and alpha" was studied in the Ti-Ta and Ti-Nb systems. The formation energy of these phases, calculated from first-principles at 0 K, showed that the phases have similar formation energies to the bcc and hcp phases. Inelastic neutron scattering was completed on four different Ti-Nb compositions to study the entropy of the phases as well as the transformations occurring when the phases form and the phase fractions. Ongoing work is being done to use the experimental information to introduce thermodynamic descriptions for these two phases in the Ti-Nb system in order to be able to predict the formation and phase fractions. DFT based first-principles were used to predict the effect these phases have on the elastic properties and a rule of mixtures was used to determine the elastic properties of multi-phase alloys. The results were compared with experiments and showed that if the ongoing modeling can predict the phase fraction, the elastic database can accurately predict the elastic properties of the o and alpha" phases. This thesis provides a knowledge base of the thermodynamic and elastic properties of Ti-alloys from computational thermodynamics. The databases created will impact research activities on Ti-alloys and specifically efforts focused on Ti-alloys for biomedical applications.

An overview of the multi-database manipulation language MDSL

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

Litwin, W.; Abdellatif, A.

With the increase in availability of databases, data needed by a user are frequently in separate autonomous databases. The logical properties of such data differ from the classical ones with a single database. In particular, they call for new functions for data manipulation. MDSL is a new data manipulation language providing such functions. Most of the MDSL functions are not available in other languages.

MerCat: a versatile k-mer counter and diversity estimator for database-independent property analysis obtained from metagenomic and/or metatranscriptomic sequencing data

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

White, Richard A.; Panyala, Ajay R.; Glass, Kevin A.

MerCat is a parallel, highly scalable and modular property software package for robust analysis of features in next-generation sequencing data. MerCat inputs include assembled contigs and raw sequence reads from any platform resulting in feature abundance counts tables. MerCat allows for direct analysis of data properties without reference sequence database dependency commonly used by search tools such as BLAST and/or DIAMOND for compositional analysis of whole community shotgun sequencing (e.g. metagenomes and metatranscriptomes).

Reaction Mechanism Generator: Automatic construction of chemical kinetic mechanisms

DOE PAGES

Gao, Connie W.; Allen, Joshua W.; Green, William H.; ...

2016-02-24

Reaction Mechanism Generator (RMG) constructs kinetic models composed of elementary chemical reaction steps using a general understanding of how molecules react. Species thermochemistry is estimated through Benson group additivity and reaction rate coefficients are estimated using a database of known rate rules and reaction templates. At its core, RMG relies on two fundamental data structures: graphs and trees. Graphs are used to represent chemical structures, and trees are used to represent thermodynamic and kinetic data. Models are generated using a rate-based algorithm which excludes species from the model based on reaction fluxes. RMG can generate reaction mechanisms for species involvingmore » carbon, hydrogen, oxygen, sulfur, and nitrogen. It also has capabilities for estimating transport and solvation properties, and it automatically computes pressure-dependent rate coefficients and identifies chemically-activated reaction paths. RMG is an object-oriented program written in Python, which provides a stable, robust programming architecture for developing an extensible and modular code base with a large suite of unit tests. Computationally intensive functions are cythonized for speed improvements.« less

Applications of Precipitation Feature Databases from GPM core and constellation Satellites

NASA Astrophysics Data System (ADS)

Liu, C.

2017-12-01

Using the observations from Global Precipitation Mission (GPM) core and constellation satellites, global precipitation was quantitatively described from the perspective of precipitation systems and their properties. This presentation will introduce the development of precipitation feature databases, and several scientific questions that have been tackled using this database, including the topics of global snow precipitation, extreme intensive convection, hail storms, extreme precipitation, and microphysical properties derived with dual frequency radars at the top of convective cores. As more and more observations of constellation satellites become available, it is anticipated that the precipitation feature approach will help to address a large variety of scientific questions in the future. For anyone who is interested, all the current precipitation feature databases are freely open to public at: http://atmos.tamucc.edu/trmm/.

Mechanical Properties and Simulated Aging of Silicone Maxillofacial Elastomers: Advancements in the Past 45 Years.

PubMed

Hatamleh, Muhanad M; Polyzois, Gregory L; Nuseir, Amjad; Hatamleh, Khaldoun; Alnazzawi, Ahmad

2016-07-01

To identify and discuss the findings of publications on mechanical behavior of maxillofacial prosthetic materials published since 1969. Original experimental articles reporting on mechanical properties of maxillofacial prosthetic materials were included. A two-stage search of the literature, electronic and hand search, identified relevant published studies up to May 2015. An extensive electronic search was conducted of databases including PubMed, Embase, Scopus, and Google Scholar. Included primary studies (n = 63) reported on tensile strength, tear strength, and hardness of maxillofacial prosthetic materials at baseline and after aging. The search revealed 63 papers, with more than 28 papers being published in the past 10 years, which shows an increased number of publications when compared to only 6 papers published in the 1970s. The increase is linear with significant correlation (r = 0.85). Such an increase reflects great awareness and continued developments and warrants more research in the field of maxillofacial prosthetic materials properties; however, it is difficult to directly compare results, as studies varied in maxillofacial prosthetic materials tested with various silicone elastomers being heavily investigated, standards followed in preparing test specimens, experimental testing protocols, and parameters used in setting simulated aging conditionings. It is imperative to overcome the existing variability by establishing unified national or international standards/specifications for maxillofacial prosthetic materials. Standardization organizations or bodies, the scientific community, and academia need to be coordinated to achieve this goal. In the meantime and despite all of these theoretically significant alternatives, clinical practice still faces problems with serviceability of maxillofacial prostheses. © 2016 by the American College of Prosthodontists.

Nuclear waste forms for actinides

PubMed Central

Ewing, Rodney C.

1999-01-01

The disposition of actinides, most recently 239Pu from dismantled nuclear weapons, requires effective containment of waste generated by the nuclear fuel cycle. Because actinides (e.g., 239Pu and 237Np) are long-lived, they have a major impact on risk assessments of geologic repositories. Thus, demonstrable, long-term chemical and mechanical durability are essential properties of waste forms for the immobilization of actinides. Mineralogic and geologic studies provide excellent candidate phases for immobilization and a unique database that cannot be duplicated by a purely materials science approach. The “mineralogic approach” is illustrated by a discussion of zircon as a phase for the immobilization of excess weapons plutonium. PMID:10097054

Boiling points of halogenated aliphatic compounds: a quantitative structure-property relationship for prediction and validation.

PubMed

Oberg, Tomas

2004-01-01

Halogenated aliphatic compounds have many technical uses, but substances within this group are also ubiquitous environmental pollutants that can affect the ozone layer and contribute to global warming. The establishment of quantitative structure-property relationships is of interest not only to fill in gaps in the available database but also to validate experimental data already acquired. The three-dimensional structures of 240 compounds were modeled with molecular mechanics prior to the generation of empirical descriptors. Two bilinear projection methods, principal component analysis (PCA) and partial-least-squares regression (PLSR), were used to identify outliers. PLSR was subsequently used to build a multivariate calibration model by extracting the latent variables that describe most of the covariation between the molecular structure and the boiling point. Boiling points were also estimated with an extension of the group contribution method of Stein and Brown.

FTIR spectroscopy as a tool for nano-material characterization

NASA Astrophysics Data System (ADS)

Baudot, Charles; Tan, Cher Ming; Kong, Jeng Chien

2010-11-01

Covalently grafting functional molecules to carbon nanotubes (CNTs) is an important step to leverage the excellent properties of that nano-fiber in order to exploit its potential in improving the mechanical and thermal properties of a composite material. While Fourier Transform Infra Red (FTIR) spectroscopy can display the various chemical bonding in a material, we found that the existing database in FTIR library does not cover all the bonding information present in functionalized CNTs because the bond between the grafted molecule and the CNT is new in the FTIR study. In order to extend the applicability of FTIR to nano-material, we present a theoretical method to derive FTIR spectroscopy and compare it with our experimental results. In particular, we illustrate a method for the identification of functional molecules grafted on CNTs, and we are able to confirm that the functional molecules are indeed covalently grafted on the CNTs without any alterations to its functional groups.

Rating the strength of coal mine roof rocks. Information circular/1996

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

Molinda, G.M.; Mark, C.

1996-05-01

The Ferm pictoral classification of coal measure rocks is widely utilized in coalfield exploration. Although extremely useful as an alternative to conventional geologic description, no material properties are provided that would be suitable for engineering solutions. To remedy this problem, the USBM has tested over 30 common coal measure roof rock types for axial and bedding strength. More than 1,300 individual point load tests have been conducted on core from 8 different coal mines representing the full range of common coal measure rocks. The USBM core and roof exposure properties database has been merged with the picture classification to provide,more » for the first time, a simple, clear guide from field identification of core to the associated mechanical strength of the rock. For 33 of the most common roof rocks, the axial and diametral point load strength, as well as the ultimate unit rating, is overprinted onto the photograph.« less

Relativistic quantum private database queries

NASA Astrophysics Data System (ADS)

Sun, Si-Jia; Yang, Yu-Guang; Zhang, Ming-Ou

2015-04-01

Recently, Jakobi et al. (Phys Rev A 83, 022301, 2011) suggested the first practical private database query protocol (J-protocol) based on the Scarani et al. (Phys Rev Lett 92, 057901, 2004) quantum key distribution protocol. Unfortunately, the J-protocol is just a cheat-sensitive private database query protocol. In this paper, we present an idealized relativistic quantum private database query protocol based on Minkowski causality and the properties of quantum information. Also, we prove that the protocol is secure in terms of the user security and the database security.

SenseLab

PubMed Central

Crasto, Chiquito J.; Marenco, Luis N.; Liu, Nian; Morse, Thomas M.; Cheung, Kei-Hoi; Lai, Peter C.; Bahl, Gautam; Masiar, Peter; Lam, Hugo Y.K.; Lim, Ernest; Chen, Huajin; Nadkarni, Prakash; Migliore, Michele; Miller, Perry L.; Shepherd, Gordon M.

2009-01-01

This article presents the latest developments in neuroscience information dissemination through the SenseLab suite of databases: NeuronDB, CellPropDB, ORDB, OdorDB, OdorMapDB, ModelDB and BrainPharm. These databases include information related to: (i) neuronal membrane properties and neuronal models, and (ii) genetics, genomics, proteomics and imaging studies of the olfactory system. We describe here: the new features for each database, the evolution of SenseLab’s unifying database architecture and instances of SenseLab database interoperation with other neuroscience online resources. PMID:17510162

On the physical properties of volcanic rock masses

NASA Astrophysics Data System (ADS)

Heap, M. J.; Villeneuve, M.; Ball, J. L.; Got, J. L.

2017-12-01

The physical properties (e.g., elastic properties, porosity, permeability, cohesion, strength, amongst others) of volcanic rocks are crucial input parameters for modelling volcanic processes. These parameters, however, are often poorly constrained and there is an apparent disconnect between modellers and those who measure/determine rock and rock mass properties. Although it is well known that laboratory measurements are scale dependent, experimentalists, field volcanologists, and modellers should work together to provide the most appropriate model input parameters. Our pluridisciplinary approach consists of (1) discussing with modellers to better understand their needs, (2) using experimental know-how to build an extensive database of volcanic rock properties, and (3) using geotechnical and field-based volcanological know-how to address scaling issues. For instance, increasing the lengthscale of interest from the laboratory-scale to the volcano-scale will reduce the elastic modulus and strength and increase permeability, but to what extent? How variable are the physical properties of volcanic rocks, and is it appropriate to assume constant, isotropic, and/or homogeneous values for volcanoes? How do alteration, depth, and temperature influence rock physical and mechanical properties? Is rock type important, or do rock properties such as porosity exert a greater control on such parameters? How do we upscale these laboratory-measured properties to rock mass properties using the "fracturedness" of a volcano or volcanic outcrop, and how do we quantify fracturedness? We hope to discuss and, where possible, address some of these issues through active discussion between two (or more) scientific communities.

A global database of seismically and non-seismically triggered landslides for 2D/3D numerical modeling

NASA Astrophysics Data System (ADS)

Domej, Gisela; Bourdeau, Céline; Lenti, Luca; Pluta, Kacper

2017-04-01

Landsliding is a worldwide common phenomenon. Every year, and ranging in size from very small to enormous, landslides cause all too often loss of life and disastrous damage to infrastructure, property and the environment. One main reason for more frequent catastrophes is the growth of population on the Earth which entails extending urbanization to areas at risk. Landslides are triggered by a variety and combination of causes, among which the role of water and seismic activity appear to have the most serious consequences. In this regard, seismic shaking is of particular interest since topographic elevation as well as the landslide mass itself can trap waves and hence amplify incoming surface waves - a phenomenon known as "site effects". Research on the topic of landsliding due to seismic and non-seismic activity is extensive and a broad spectrum of methods for modeling slope deformation is available. Those methods range from pseudo-static and rigid-block based models to numerical models. The majority is limited to 2D modeling since more sophisticated approaches in 3D are still under development or calibration. However, the effect of lateral confinement as well as the mechanical properties of the adjacent bedrock might be of great importance because they may enhance the focusing of trapped waves in the landslide mass. A database was created to study 3D landslide geometries. It currently contains 277 distinct seismically and non-seismically triggered landslides spread all around the globe whose rupture bodies were measured in all available details. Therefore a specific methodology was developed to maintain predefined standards, to keep the bias as low as possible and to set up a query tool to explore the database. Besides geometry, additional information such as location, date, triggering factors, material, sliding mechanisms, event chronology, consequences, related literature, among other things are stored for every case. The aim of the database is to enable statistical analysis on a vast and newly updated set of data and to create numerical models in the future. It is possible to define groups of landslides sharing the same characteristics, or cases belonging to different groups can be used to compare their responses to external loads. Thus, different options exist to create input data for numerical models. This is very promising especially considering the possibility of comparing 2D and 3D models having the same framework conditions (i.e. geometry, material, etc.). Comparison of 2D and 3D approaches might contribute to a better understanding of landsliding phenomena to improve the hazard prevention.

Starting a European Space Agency Sample Analogue Collection for Robotic Exploration Missions

NASA Astrophysics Data System (ADS)

Smith, C. L.; Mavris, C.; Michalski, J. R.; Rumsey, M. S.; Russell, S. S.; Jones, C.; Schroeven-Deceuninck, H.

2015-12-01

The Natural History Museum is working closely with the European Space Agency (ESA) and the UK Space Agency to develop a European collection of analogue materials with appropriate physical/mechanical and chemical (mineralogical) properties which can support the development and verification of both spacecraft and scientific systems for potential science and exploration missions to Phobos/Deimos, Mars, C-type asteroids and the Moon. As an ESA Collection it will be housed at the ESA Centre based at Harwell, UK. The "ESA Sample Analogues Collection" will be composed of both natural and artificial materials chosen to (as closely as possible) replicate the surfaces and near-surfaces of different Solar System target bodies of exploration interest. The analogue samples will be fully characterised in terms of both their physical/mechanical properties (compressive strength, bulk density, grain shape, grain size, cohesion and angle of internal friction) and their chemical/mineralogical properties (texture, modal mineralogy, bulk chemical composition - major, minor and trace elements and individual mineralogical compositions). The Collection will be fully curated to international standards including implementation of a user-friendly database and will be available for use by engineers and scientists across the UK and Europe. Enhancement of the initial Collection will be possible through collaborations with other ESA and UK Space Agency supported activities, such as the acquisition of new samples during field trials.

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

Langan, Roisin T.; Archibald, Richard K.; Lamberti, Vincent

We have applied a new imputation-based method for analyzing incomplete data, called Monte Carlo Bayesian Database Generation (MCBDG), to the Spent Fuel Isotopic Composition (SFCOMPO) database. About 60% of the entries are absent for SFCOMPO. The method estimates missing values of a property from a probability distribution created from the existing data for the property, and then generates multiple instances of the completed database for training a machine learning algorithm. Uncertainty in the data is represented by an empirical or an assumed error distribution. The method makes few assumptions about the underlying data, and compares favorably against results obtained bymore » replacing missing information with constant values.« less

Ionic Liquids Database- (ILThermo)

National Institute of Standards and Technology Data Gateway

SRD 147 NIST Ionic Liquids Database- (ILThermo) (Web, free access)   IUPAC Ionic Liquids Database, ILThermo, is a free web research tool that allows users worldwide to access an up-to-date data collection from the publications on experimental investigations of thermodynamic, and transport properties of ionic liquids as well as binary and ternary mixtures containing ionic liquids.

ASD: a comprehensive database of allosteric proteins and modulators

PubMed Central

Huang, Zhimin; Zhu, Liang; Cao, Yan; Wu, Geng; Liu, Xinyi; Chen, Yingyi; Wang, Qi; Shi, Ting; Zhao, Yaxue; Wang, Yuefei; Li, Weihua; Li, Yixue; Chen, Haifeng; Chen, Guoqiang; Zhang, Jian

2011-01-01

Allostery is the most direct, rapid and efficient way of regulating protein function, ranging from the control of metabolic mechanisms to signal-transduction pathways. However, an enormous amount of unsystematic allostery information has deterred scientists who could benefit from this field. Here, we present the AlloSteric Database (ASD), the first online database that provides a central resource for the display, search and analysis of structure, function and related annotation for allosteric molecules. Currently, ASD contains 336 allosteric proteins from 101 species and 8095 modulators in three categories (activators, inhibitors and regulators). Proteins are annotated with a detailed description of allostery, biological process and related diseases, and modulators with binding affinity, physicochemical properties and therapeutic area. Integrating the information of allosteric proteins in ASD should allow for the identification of specific allosteric sites of a given subtype among proteins of the same family that can potentially serve as ideal targets for experimental validation. In addition, modulators curated in ASD can be used to investigate potent allosteric targets for the query compound, and also help chemists to implement structure modifications for novel allosteric drug design. Therefore, ASD could be a platform and a starting point for biologists and medicinal chemists for furthering allosteric research. ASD is freely available at http://mdl.shsmu.edu.cn/ASD/. PMID:21051350

An Application Programming Interface for Synthetic Snowflake Particle Structure and Scattering Data

NASA Technical Reports Server (NTRS)

Lammers, Matthew; Kuo, Kwo-Sen

2017-01-01

The work by Kuo and colleagues on growing synthetic snowflakes and calculating their single-scattering properties has demonstrated great potential to improve the retrievals of snowfall. To grant colleagues flexible and targeted access to their large collection of sizes and shapes at fifteen (15) microwave frequencies, we have developed a web-based Application Programming Interface (API) integrated with NASA Goddard's Precipitation Processing System (PPS) Group. It is our hope that the API will enable convenient programmatic utilization of the database. To help users better understand the API's capabilities, we have developed an interactive web interface called the OpenSSP API Query Builder, which implements an intuitive system of mechanisms for selecting shapes, sizes, and frequencies to generate queries, with which the API can then extract and return data from the database. The Query Builder also allows for the specification of normalized particle size distributions by setting pertinent parameters, with which the API can also return mean geometric and scattering properties for each size bin. Additionally, the Query Builder interface enables downloading of raw scattering and particle structure data packages. This presentation will describe some of the challenges and successes associated with developing such an API. Examples of its usage will be shown both through downloading output and pulling it into a spreadsheet, as well as querying the API programmatically and working with the output in code.

Study on parallel and distributed management of RS data based on spatial database

NASA Astrophysics Data System (ADS)

Chen, Yingbiao; Qian, Qinglan; Wu, Hongqiao; Liu, Shijin

2009-10-01

With the rapid development of current earth-observing technology, RS image data storage, management and information publication become a bottle-neck for its appliance and popularization. There are two prominent problems in RS image data storage and management system. First, background server hardly handle the heavy process of great capacity of RS data which stored at different nodes in a distributing environment. A tough burden has put on the background server. Second, there is no unique, standard and rational organization of Multi-sensor RS data for its storage and management. And lots of information is lost or not included at storage. Faced at the above two problems, the paper has put forward a framework for RS image data parallel and distributed management and storage system. This system aims at RS data information system based on parallel background server and a distributed data management system. Aiming at the above two goals, this paper has studied the following key techniques and elicited some revelatory conclusions. The paper has put forward a solid index of "Pyramid, Block, Layer, Epoch" according to the properties of RS image data. With the solid index mechanism, a rational organization for different resolution, different area, different band and different period of Multi-sensor RS image data is completed. In data storage, RS data is not divided into binary large objects to be stored at current relational database system, while it is reconstructed through the above solid index mechanism. A logical image database for the RS image data file is constructed. In system architecture, this paper has set up a framework based on a parallel server of several common computers. Under the framework, the background process is divided into two parts, the common WEB process and parallel process.

Integrating RFID technique to design mobile handheld inventory management system

NASA Astrophysics Data System (ADS)

Huang, Yo-Ping; Yen, Wei; Chen, Shih-Chung

2008-04-01

An RFID-based mobile handheld inventory management system is proposed in this paper. Differing from the manual inventory management method, the proposed system works on the personal digital assistant (PDA) with an RFID reader. The system identifies electronic tags on the properties and checks the property information in the back-end database server through a ubiquitous wireless network. The system also provides a set of functions to manage the back-end inventory database and assigns different levels of access privilege according to various user categories. In the back-end database server, to prevent improper or illegal accesses, the server not only stores the inventory database and user privilege information, but also keeps track of the user activities in the server including the login and logout time and location, the records of database accessing, and every modification of the tables. Some experimental results are presented to verify the applicability of the integrated RFID-based mobile handheld inventory management system.

Extension of Generalized Fluid System Simulation Program's Fluid Property Database

NASA Technical Reports Server (NTRS)

Patel, Kishan

2011-01-01

This internship focused on the development of additional capabilities for the General Fluid Systems Simulation Program (GFSSP). GFSSP is a thermo-fluid code used to evaluate system performance by a finite volume-based network analysis method. The program was developed primarily to analyze the complex internal flow of propulsion systems and is capable of solving many problems related to thermodynamics and fluid mechanics. GFSSP is integrated with thermodynamic programs that provide fluid properties for sub-cooled, superheated, and saturation states. For fluids that are not included in the thermodynamic property program, look-up property tables can be provided. The look-up property tables of the current release version can only handle sub-cooled and superheated states. The primary purpose of the internship was to extend the look-up tables to handle saturated states. This involves a) generation of a property table using REFPROP, a thermodynamic property program that is widely used, and b) modifications of the Fortran source code to read in an additional property table containing saturation data for both saturated liquid and saturated vapor states. Also, a method was implemented to calculate the thermodynamic properties of user-fluids within the saturation region, given values of pressure and enthalpy. These additions required new code to be written, and older code had to be adjusted to accommodate the new capabilities. Ultimately, the changes will lead to the incorporation of this new capability in future versions of GFSSP. This paper describes the development and validation of the new capability.

AGC 2 Irradiated Material Properties Analysis

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

Rohrbaugh, David Thomas

2017-05-01

The Advanced Reactor Technologies Graphite Research and Development Program is conducting an extensive graphite irradiation experiment to provide data for licensing of a high temperature reactor (HTR) design. In past applications, graphite has been used effectively as a structural and moderator material in both research and commercial high temperature gas cooled reactor designs. , Nuclear graphite H 451, used previously in the United States for nuclear reactor graphite components, is no longer available. New nuclear graphite grades have been developed and are considered suitable candidates for new HTR reactor designs. To support the design and licensing of HTR core componentsmore » within a commercial reactor, a complete properties database must be developed for these current grades of graphite. Quantitative data on in service material performance are required for the physical, mechanical, and thermal properties of each graphite grade, with a specific emphasis on data accounting for the life limiting effects of irradiation creep on key physical properties of the HTR candidate graphite grades. Further details on the research and development activities and associated rationale required to qualify nuclear grade graphite for use within the HTR are documented in the graphite technology research and development plan.« less

Novel tools for accelerated materials discovery in the AFLOWLIB.ORG repository: breakthroughs and challenges in the mapping of the materials genome

NASA Astrophysics Data System (ADS)

Buongiorno Nardelli, Marco

2015-03-01

High-Throughput Quantum-Mechanics computation of materials properties by ab initio methods has become the foundation of an effective approach to materials design, discovery and characterization. This data driven approach to materials science currently presents the most promising path to the development of advanced technological materials that could solve or mitigate important social and economic challenges of the 21st century. In particular, the rapid proliferation of computational data on materials properties presents the possibility to complement and extend materials property databases where the experimental data is lacking and difficult to obtain. Enhanced repositories such as AFLOWLIB, open novel opportunities for structure discovery and optimization, including uncovering of unsuspected compounds, metastable structures and correlations between various properties. The practical realization of these opportunities depends on the the design effcient algorithms for electronic structure simulations of realistic material systems, the systematic compilation and classification of the generated data, and its presentation in easily accessed form to the materials science community, the primary mission of the AFLOW consortium. This work was supported by ONR-MURI under Contract N00014-13-1-0635 and the Duke University Center for Materials Genomics.

[Conceptual foundations of creation of branch database of technology and intellectual property rights owned by scientific institutions, organizations, higher medical educational institutions and enterprises of healthcare sphere of Ukraine].

PubMed

Horban', A Ie

2013-09-01

The question of implementation of the state policy in the field of technology transfer in the medical branch to implement the law of Ukraine of 02.10.2012 No 5407-VI "On Amendments to the law of Ukraine" "On state regulation of activity in the field of technology transfers", namely to ensure the formation of branch database on technology and intellectual property rights owned by scientific institutions, organizations, higher medical education institutions and enterprises of healthcare sphere of Ukraine and established by budget are considered. Analysis of international and domestic experience in the processing of information about intellectual property rights and systems implementation support transfer of new technologies are made. The main conceptual principles of creation of this branch database of technology transfer and branch technology transfer network are defined.

Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics.

PubMed

Peverati, Roberto; Truhlar, Donald G

2014-03-13

Kohn-Sham density functional theory is in principle an exact formulation of quantum mechanical electronic structure theory, but in practice we have to rely on approximate exchange-correlation (xc) functionals. The objective of our work has been to design an xc functional with broad accuracy across as wide an expanse of chemistry and physics as possible, leading--as a long-range goal--to a functional with good accuracy for all problems, i.e. a universal functional. To guide our path towards that goal and to measure our progress, we have developed-building on earlier work of our group-a set of databases of reference data for a variety of energetic and structural properties in chemistry and physics. These databases include energies of molecular processes, such as atomization, complexation, proton addition and ionization; they also include molecular geometries and solid-state lattice constants, chemical reaction barrier heights, and cohesive energies and band gaps of solids. For this paper, we gather many of these databases into four comprehensive databases, two with 384 energetic data for chemistry and solid-state physics and another two with 68 structural data for chemistry and solid-state physics, and we test two wave function methods and 77 density functionals (12 Minnesota meta functionals and 65 others) in a consistent way across this same broad set of data. We especially highlight the Minnesota density functionals, but the results have broader implications in that one may see the successes and failures of many kinds of density functionals when they are all applied to the same data. Therefore, the results provide a status report on the quest for a universal functional.

Can chronic stretching change the muscle-tendon mechanical properties? A review.

PubMed

Freitas, S R; Mendes, B; Le Sant, G; Andrade, R J; Nordez, A; Milanovic, Z

2018-03-01

It is recognized that stretching is an effective method to chronically increase the joint range of motion. However, the effects of stretching training on the muscle-tendon structural properties remain unclear. This systematic review with meta-analysis aimed to determine whether chronic stretching alter the muscle-tendon structural properties. Published papers regarding longitudinal stretching (static, dynamic and/or PNF) intervention (either randomized or not) in humans of any age and health status, with more than 2 weeks in duration and at least 2 sessions per week, were searched in PubMed, PEDro, ScienceDirect and ResearchGate databases. Structural or mechanical variables from joint (maximal tolerated passive torque or resistance to stretch) or muscle-tendon unit (muscle architecture, stiffness, extensibility, shear modulus, volume, thickness, cross-sectional area, and slack length) were extracted from those papers. A total of 26 studies were selected, with a duration ranging from 3 to 8 weeks, and an average total time under stretching of 1165 seconds per week. Small effects were seen for maximal tolerated passive torque, but trivial effects were seen for joint resistance to stretch, muscle architecture, muscle stiffness, and tendon stiffness. A large heterogeneity was seen for most of the variables. Stretching interventions with 3- to 8-week duration do not seem to change either the muscle or the tendon properties, although it increases the extensibility and tolerance to a greater tensile force. Adaptations to chronic stretching protocols shorter than 8 weeks seem to mostly occur at a sensory level. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Nuclear Forensics Analysis with Missing and Uncertain Data

DOE PAGES

Langan, Roisin T.; Archibald, Richard K.; Lamberti, Vincent

2015-10-05

We have applied a new imputation-based method for analyzing incomplete data, called Monte Carlo Bayesian Database Generation (MCBDG), to the Spent Fuel Isotopic Composition (SFCOMPO) database. About 60% of the entries are absent for SFCOMPO. The method estimates missing values of a property from a probability distribution created from the existing data for the property, and then generates multiple instances of the completed database for training a machine learning algorithm. Uncertainty in the data is represented by an empirical or an assumed error distribution. The method makes few assumptions about the underlying data, and compares favorably against results obtained bymore » replacing missing information with constant values.« less

Idaho and Montana non-fuel exploration database 1980-1997

USGS Publications Warehouse

Buckingham, David A.; DiFrancesco, Carl A.; Porter, Kenneth E.; Bleiwas, Donald I.; Causey, J. Douglas; Ferguson, William B.

2006-01-01

This report describes a relational database containing information about mineral exploration projects in the States of Idaho and Montana for the years 1980 through 1997 and a spatial (geographic) database constructed using data from the relational database. The focus of this project was to collect information on exploration for mineral commodities with the exception of sand, gravel, coal, geothermal, oil, and gas. The associate databases supplied with this report are prototypes that can be used or modified as needed. The following sources were used to create the databases-serial mining periodicals; annual mineral publications; mining company reports; U.S. Bureau of Mines (USBM) and U.S. Geological Survey (USGS) publications; an Idaho mineral property data base developed by Dave Boleneus, USGS, Spokane, Washington; Montana state publications; and discussions with representatives of Montana, principally the Montana Bureau of Mines and Geology and the Department of Environmental Quality. Fifty commodity groups were reported between the 596 exploration projects identified in this study. Precious metals (gold, silver, or platinum group elements) were the primary targets for about 67 percent of the exploration projects. Information on 17 of the projects did not include commodities. No location could be determined for 51 projects, all in Idaho. During the time period evaluated, some mineral properties were developed into large mining operations (for example Beal Mountain Mine, Stillwater Mine, Troy Mine, Montana Tunnels Mine) and six properties were reclaimed. Environmental Impact Statements were done on four properties. Some operating mines either closed or went through one or more shutdowns and re-openings. Other properties, where significant resources were delineated by recent exploration during this time frame, await the outcome of important factors for development such as defining additional reserves, higher metal prices, and the permitting process. Many of these projects examined relatively minor mineral occurrences. Approximately half of the exploration projects are located on Federal lands and about 40 percent were on lands managed by the U.S. Forest Service. More than 75 percent of the exploration occurred in areas with significant previous mineral activity.

Knowledge Discovery in Databases.

ERIC Educational Resources Information Center

Norton, M. Jay

1999-01-01

Knowledge discovery in databases (KDD) revolves around the investigation and creation of knowledge, processes, algorithms, and mechanisms for retrieving knowledge from data collections. The article is an introductory overview of KDD. The rationale and environment of its development and applications are discussed. Issues related to database design…

Rationale of the FIBROTARGETS study designed to identify novel biomarkers of myocardial fibrosis

PubMed Central

Ferreira, João Pedro; Machu, Jean‐Loup; Girerd, Nicolas; Jaisser, Frederic; Thum, Thomas; Butler, Javed; González, Arantxa; Diez, Javier; Heymans, Stephane; McDonald, Kenneth; Gyöngyösi, Mariann; Firat, Hueseyin; Rossignol, Patrick; Pizard, Anne

2017-01-01

Abstract Aims Myocardial fibrosis alters the cardiac architecture favouring the development of cardiac dysfunction, including arrhythmias and heart failure. Reducing myocardial fibrosis may improve outcomes through the targeted diagnosis and treatment of emerging fibrotic pathways. The European‐Commission‐funded ‘FIBROTARGETS’ is a multinational academic and industrial consortium with the main aims of (i) characterizing novel key mechanistic pathways involved in the metabolism of fibrillary collagen that may serve as biotargets, (ii) evaluating the potential anti‐fibrotic properties of novel or repurposed molecules interfering with the newly identified biotargets, and (iii) characterizing bioprofiles based on distinct mechanistic phenotypes involving the aforementioned biotargets. These pathways will be explored by performing a systematic and collaborative search for mechanisms and targets of myocardial fibrosis. These mechanisms will then be translated into individualized diagnostic tools and specific therapeutic pharmacological options for heart failure. Methods and results The FIBROTARGETS consortium has merged data from 12 patient cohorts in a common database available to individual consortium partners. The database consists of >12 000 patients with a large spectrum of cardiovascular clinical phenotypes. It integrates community‐based population cohorts, cardiovascular risk cohorts, and heart failure cohorts. Conclusions The FIBROTARGETS biomarker programme is aimed at exploring fibrotic pathways allowing the bioprofiling of patients into specific ‘fibrotic’ phenotypes and identifying new therapeutic targets that will potentially enable the development of novel and tailored anti‐fibrotic therapies for heart failure. PMID:28988439

Principal component analysis acceleration of rovibrational coarse-grain models for internal energy excitation and dissociation

NASA Astrophysics Data System (ADS)

Bellemans, Aurélie; Parente, Alessandro; Magin, Thierry

2018-04-01

The present work introduces a novel approach for obtaining reduced chemistry representations of large kinetic mechanisms in strong non-equilibrium conditions. The need for accurate reduced-order models arises from compression of large ab initio quantum chemistry databases for their use in fluid codes. The method presented in this paper builds on existing physics-based strategies and proposes a new approach based on the combination of a simple coarse grain model with Principal Component Analysis (PCA). The internal energy levels of the chemical species are regrouped in distinct energy groups with a uniform lumping technique. Following the philosophy of machine learning, PCA is applied on the training data provided by the coarse grain model to find an optimally reduced representation of the full kinetic mechanism. Compared to recently published complex lumping strategies, no expert judgment is required before the application of PCA. In this work, we will demonstrate the benefits of the combined approach, stressing its simplicity, reliability, and accuracy. The technique is demonstrated by reducing the complex quantum N2(g+1Σ) -N(S4u ) database for studying molecular dissociation and excitation in strong non-equilibrium. Starting from detailed kinetics, an accurate reduced model is developed and used to study non-equilibrium properties of the N2(g+1Σ) -N(S4u ) system in shock relaxation simulations.

A scattering database of marine particles and its application in optical analysis

NASA Astrophysics Data System (ADS)

Xu, G.; Yang, P.; Kattawar, G.; Zhang, X.

2016-12-01

In modeling the scattering properties of marine particles (e.g. phytoplankton), the laboratory studies imply a need to properly account for the influence of particle morphology, in addition to size and composition. In this study, a marine particle scattering database is constructed using a collection of distorted hexahedral shapes. Specifically, the scattering properties of each size bin and refractive index are obtained by the ensemble average associated with distorted hexahedra with randomly tilted facets and selected aspect ratios (from elongated to flattened). The randomness degree in shape-generation process defines the geometric irregularity of the particles in the group. The geometric irregularity and particle aspect ratios constitute a set of "shape factors" to be accounted for (e.g. in best-fit analysis). To cover most of the marine particle size range, we combine the Invariant Imbedding T-matrix (II-TM) method and the Physical-Geometric Optics Hybrid (PGOH) method in the calculations. The simulated optical properties are shown and compared with those obtained from Lorenz-Mie Theory. Using the scattering database, we present a preliminary optical analysis of laboratory-measured optical properties of marine particles.

Overview of a compre­hensive resource database for the assessment of recoverable hydrocarbons produced by carbon dioxide enhanced oil recovery

USGS Publications Warehouse

Carolus, Marshall; Biglarbigi, Khosrow; Warwick, Peter D.; Attanasi, Emil D.; Freeman, Philip A.; Lohr, Celeste D.

2017-10-24

A database called the “Comprehensive Resource Database” (CRD) was prepared to support U.S. Geological Survey (USGS) assessments of technically recoverable hydrocarbons that might result from the injection of miscible or immiscible carbon dioxide (CO2) for enhanced oil recovery (EOR). The CRD was designed by INTEK Inc., a consulting company under contract to the USGS. The CRD contains data on the location, key petrophysical properties, production, and well counts (number of wells) for the major oil and gas reservoirs in onshore areas and State waters of the conterminous United States and Alaska. The CRD includes proprietary data on petrophysical properties of fields and reservoirs from the “Significant Oil and Gas Fields of the United States Database,” prepared by Nehring Associates in 2012, and proprietary production and drilling data from the “Petroleum Information Data Model Relational U.S. Well Data,” prepared by IHS Inc. in 2012. This report describes the CRD and the computer algorithms used to (1) estimate missing reservoir property values in the Nehring Associates (2012) database, and to (2) generate values of additional properties used to characterize reservoirs suitable for miscible or immiscible CO2 flooding for EOR. Because of the proprietary nature of the data and contractual obligations, the CRD and actual data from Nehring Associates (2012) and IHS Inc. (2012) cannot be presented in this report.

Component, Context and Manufacturing Model Library (C2M2L)

DTIC Science & Technology

2013-03-01

Penn State team were stored in a relational database for easy access, storage and maintainability. The relational database consisted of a PostGres ...file into a format that can be imported into the PostGres database. This same custom application was used to generate Microsoft Excel templates...Press Break Forming Equipment 4.14 Manufacturing Model Library Database Structure The data storage mechanism for the ARL PSU MML was a PostGres database

Physical-chemical property based sequence motifs and methods regarding same

DOEpatents

Braun, Werner [Friendswood, TX; Mathura, Venkatarajan S [Sarasota, FL; Schein, Catherine H [Friendswood, TX

2008-09-09

A data analysis system, program, and/or method, e.g., a data mining/data exploration method, using physical-chemical property motifs. For example, a sequence database may be searched for identifying segments thereof having physical-chemical properties similar to the physical-chemical property motifs.

The search for reliable aqueous solubility (Sw) and octanol-water partition coefficient (Kow) data for hydrophobic organic compounds; DDT and DDE as a case study

USGS Publications Warehouse

Pontolillo, James; Eganhouse, R.P.

2001-01-01

The accurate determination of an organic contaminant?s physico-chemical properties is essential for predicting its environmental impact and fate. Approximately 700 publications (1944?2001) were reviewed and all known aqueous solubilities (Sw) and octanol-water partition coefficients (Kow) for the organochlorine pesticide, DDT, and its persistent metabolite, DDE were compiled and examined. Two problems are evident with the available database: 1) egregious errors in reporting data and references, and 2) poor data quality and/or inadequate documentation of procedures. The published literature (particularly the collative literature such as compilation articles and handbooks) is characterized by a preponderance of unnecessary data duplication. Numerous data and citation errors are also present in the literature. The percentage of original Sw and Kow data in compilations has decreased with time, and in the most recent publications (1994?97) it composes only 6?26 percent of the reported data. The variability of original DDT/DDE Sw and Kow data spans 2?4 orders of magnitude, and there is little indication that the uncertainty in these properties has declined over the last 5 decades. A criteria-based evaluation of DDT/DDE Sw and Kow data sources shows that 95?100 percent of the database literature is of poor or unevaluatable quality. The accuracy and reliability of the vast majority of the data are unknown due to inadequate documentation of the methods of determination used by the authors. [For example, estimates of precision have been reported for only 20 percent of experimental Sw data and 10 percent of experimental Kow data.] Computational methods for estimating these parameters have been increasingly substituted for direct or indirect experimental determination despite the fact that the data used for model development and validation may be of unknown reliability. Because of the prevalence of errors, the lack of methodological documentation, and unsatisfactory data quality, the reliability of the DDT/ DDE Sw and Kow database is questionable. The nature and extent of the errors documented in this study are probably indicative of a more general problem in the literature of hydrophobic organic compounds. Under these circumstances, estimation of critical environmental parameters on the basis of Sw and Kow (for example, bioconcentration factors, equilibrium partition coefficients) is inadvisable because it will likely lead to incorrect environmental risk assessments. The current state of the database indicates that much greater efforts are needed to: 1) halt the proliferation of erroneous data and references, 2) initiate a coordinated program to develop improved methods of property determination, 3) establish and maintain consistent reporting requirements for physico-chemical property data, and 4) create a mechanism for archiving reliable data for widespread use in the scientific/regulatory community.

Draft secure medical database standard.

PubMed

Pangalos, George

2002-01-01

Medical database security is a particularly important issue for all Healthcare establishments. Medical information systems are intended to support a wide range of pertinent health issues today, for example: assure the quality of care, support effective management of the health services institutions, monitor and contain the cost of care, implement technology into care without violating social values, ensure the equity and availability of care, preserve humanity despite the proliferation of technology etc.. In this context, medical database security aims primarily to support: high availability, accuracy and consistency of the stored data, the medical professional secrecy and confidentiality, and the protection of the privacy of the patient. These properties, though of technical nature, basically require that the system is actually helpful for medical care and not harmful to patients. These later properties require in turn not only that fundamental ethical principles are not violated by employing database systems, but instead, are effectively enforced by technical means. This document reviews the existing and emerging work on the security of medical database systems. It presents in detail the related problems and requirements related to medical database security. It addresses the problems of medical database security policies, secure design methodologies and implementation techniques. It also describes the current legal framework and regulatory requirements for medical database security. The issue of medical database security guidelines is also examined in detailed. The current national and international efforts in the area are studied. It also gives an overview of the research work in the area. The document also presents in detail the most complete to our knowledge set of security guidelines for the development and operation of medical database systems.

Comprehensive BRL-CAD Primitive Database

DTIC Science & Technology

2015-03-01

are not to be construed as an official Department of the Army position unless so designated by other authorized documents. Citation of...database provides the target describers of BRL–CAD with a representative example of each primitive’s shape and its properties. In addition to the...database was completed, a tool was created to generate primitive shapes automatically. This provides target describers—CAD experts who generate

Development of a database for chemical mechanism assignments for volatile organic emissions.

PubMed

Carter, William P L

2015-10-01

The development of a database for making model species assignments when preparing total organic gas (TOG) emissions input for atmospheric models is described. This database currently has assignments of model species for 12 different gas-phase chemical mechanisms for over 1700 chemical compounds and covers over 3000 chemical categories used in five different anthropogenic TOG profile databases or output by two different biogenic emissions models. This involved developing a unified chemical classification system, assigning compounds to mixtures, assigning model species for the mechanisms to the compounds, and making assignments for unknown, unassigned, and nonvolatile mass. The comprehensiveness of the assignments, the contributions of various types of speciation categories to current profile and total emissions data, inconsistencies with existing undocumented model species assignments, and remaining speciation issues and areas of needed work are also discussed. The use of the system to prepare input for SMOKE, the Speciation Tool, and for biogenic models is described in the supplementary materials. The database, associated programs and files, and a users manual are available online at http://www.cert.ucr.edu/~carter/emitdb . Assigning air quality model species to the hundreds of emitted chemicals is a necessary link between emissions data and modeling effects of emissions on air quality. This is not easy and makes it difficult to implement new and more chemically detailed mechanisms in models. If done incorrectly, it is similar to errors in emissions speciation or the chemical mechanism used. Nevertheless, making such assignments is often an afterthought in chemical mechanism development and emissions processing, and existing assignments are usually undocumented and have errors and inconsistencies. This work is designed to address some of these problems.

NIST Gas Hydrate Research Database and Web Dissemination Channel.

PubMed

Kroenlein, K; Muzny, C D; Kazakov, A; Diky, V V; Chirico, R D; Frenkel, M; Sloan, E D

2010-01-01

To facilitate advances in application of technologies pertaining to gas hydrates, a freely available data resource containing experimentally derived information about those materials was developed. This work was performed by the Thermodynamic Research Center (TRC) paralleling a highly successful database of thermodynamic and transport properties of molecular pure compounds and their mixtures. Population of the gas-hydrates database required development of guided data capture (GDC) software designed to convert experimental data and metadata into a well organized electronic format, as well as a relational database schema to accommodate all types of numerical and metadata within the scope of the project. To guarantee utility for the broad gas hydrate research community, TRC worked closely with the Committee on Data for Science and Technology (CODATA) task group for Data on Natural Gas Hydrates, an international data sharing effort, in developing a gas hydrate markup language (GHML). The fruits of these efforts are disseminated through the NIST Sandard Reference Data Program [1] as the Clathrate Hydrate Physical Property Database (SRD #156). A web-based interface for this database, as well as scientific results from the Mallik 2002 Gas Hydrate Production Research Well Program [2], is deployed at http://gashydrates.nist.gov.

Simulation of CNT-AFM tip based on finite element analysis for targeted probe of the biological cell

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

Yousefi, Amin Termeh, E-mail: at.tyousefi@gmail.com; Miyake, Mikio, E-mail: miyakejaist@gmail.com; Ikeda, Shoichiro, E-mail: sho16.ikeda@gmail.com

Carbon nanotubes (CNTs) are potentially ideal tips for atomic force microscopy (AFM) due to the robust mechanical properties, nano scale diameter and also their ability to be functionalized by chemical and biological components at the tip ends. This contribution develops the idea of using CNTs as an AFM tip in computational analysis of the biological cell’s. Finite element analysis employed for each section and displacement of the nodes located in the contact area was monitored by using an output database (ODB). This reliable integration of CNT-AFM tip process provides a new class of high performance nanoprobes for single biological cellmore » analysis.« less

Tasimelteon (Hetlioz™): A New Melatonin Receptor Agonist for the Treatment of Non-24-Hour Sleep-Wake Disorder.

PubMed

Bonacci, Janene M; Venci, Jineane V; Gandhi, Mona A

2015-10-01

In January 2014, the US Food and Drug Administration approved tasimelteon (Hetlioz™), a melatonin-receptor agonist for the treatment of non-24-hour sleep-wake disorder. This article provides an overview of the mechanism of action, pharmacokinetic properties, as well as the clinical efficacy, safety, and tolerability of tasimelteon. Relevant information was identified through a comprehensive literature search of several databases using the key words tasimelteon, Non-24-hour Sleep-Wake disorder, Non-24, and melatonin. Further information was obtained from the tasimelteon package insert, fda.gov, clinicaltrials.gov, briefing materials provided by Vanda Pharmaceuticals, and posters from scientific meetings. © The Author(s) 2014.

IDAAPM: integrated database of ADMET and adverse effects of predictive modeling based on FDA approved drug data.

PubMed

Legehar, Ashenafi; Xhaard, Henri; Ghemtio, Leo

2016-01-01

The disposition of a pharmaceutical compound within an organism, i.e. its Absorption, Distribution, Metabolism, Excretion, Toxicity (ADMET) properties and adverse effects, critically affects late stage failure of drug candidates and has led to the withdrawal of approved drugs. Computational methods are effective approaches to reduce the number of safety issues by analyzing possible links between chemical structures and ADMET or adverse effects, but this is limited by the size, quality, and heterogeneity of the data available from individual sources. Thus, large, clean and integrated databases of approved drug data, associated with fast and efficient predictive tools are desirable early in the drug discovery process. We have built a relational database (IDAAPM) to integrate available approved drug data such as drug approval information, ADMET and adverse effects, chemical structures and molecular descriptors, targets, bioactivity and related references. The database has been coupled with a searchable web interface and modern data analytics platform (KNIME) to allow data access, data transformation, initial analysis and further predictive modeling. Data were extracted from FDA resources and supplemented from other publicly available databases. Currently, the database contains information regarding about 19,226 FDA approval applications for 31,815 products (small molecules and biologics) with their approval history, 2505 active ingredients, together with as many ADMET properties, 1629 molecular structures, 2.5 million adverse effects and 36,963 experimental drug-target bioactivity data. IDAAPM is a unique resource that, in a single relational database, provides detailed information on FDA approved drugs including their ADMET properties and adverse effects, the corresponding targets with bioactivity data, coupled with a data analytics platform. It can be used to perform basic to complex drug-target ADMET or adverse effects analysis and predictive modeling. IDAAPM is freely accessible at http://idaapm.helsinki.fi and can be exploited through a KNIME workflow connected to the database.Graphical abstractFDA approved drug data integration for predictive modeling.

A Review of Stellar Abundance Databases and the Hypatia Catalog Database

NASA Astrophysics Data System (ADS)

Hinkel, Natalie Rose

2018-01-01

The astronomical community is interested in elements from lithium to thorium, from solar twins to peculiarities of stellar evolution, because they give insight into different regimes of star formation and evolution. However, while some trends between elements and other stellar or planetary properties are well known, many other trends are not as obvious and are a point of conflict. For example, stars that host giant planets are found to be consistently enriched in iron, but the same cannot be definitively said for any other element. Therefore, it is time to take advantage of large stellar abundance databases in order to better understand not only the large-scale patterns, but also the more subtle, small-scale trends within the data.In this overview to the special session, I will present a review of large stellar abundance databases that are both currently available (i.e. RAVE, APOGEE) and those that will soon be online (i.e. Gaia-ESO, GALAH). Additionally, I will discuss the Hypatia Catalog Database (www.hypatiacatalog.com) -- which includes abundances from individual literature sources that observed stars within 150pc. The Hypatia Catalog currently contains 72 elements as measured within ~6000 stars, with a total of ~240,000 unique abundance determinations. The online database offers a variety of solar normalizations, stellar properties, and planetary properties (where applicable) that can all be viewed through multiple interactive plotting interfaces as well as in a tabular format. By analyzing stellar abundances for large populations of stars and from a variety of different perspectives, a wealth of information can be revealed on both large and small scales.

Construction of combustion models for rapeseed methyl ester bio-diesel fuel for internal combustion engine applications.

PubMed

Golovitchev, Valeri I; Yang, Junfeng

2009-01-01

Bio-diesel fuels are non-petroleum-based diesel fuels consisting of long chain alkyl esters produced by the transesterification of vegetable oils, that are intended for use (neat or blended with conventional fuels) in unmodified diesel engines. There have been few reports of studies proposing theoretical models for bio-diesel combustion simulations. In this study, we developed combustion models based on ones developed previously. We compiled the liquid fuel properties, and the existing detailed mechanism of methyl butanoate ester (MB, C(5)H(10)O(2)) oxidation was supplemented by sub-mechanisms for two proposed fuel constituent components, C(7)H(16) and C(7)H(8)O (and then, by mp2d, C(4)H(6)O(2) and propyne, C(3)H(4)) to represent the combustion model for rapeseed methyl ester described by the chemical formula, C(19)H(34)O(2) (or C(19)H(36)O(2)). The main fuel vapor thermal properties were taken as those of methyl palmitate C(19)H(36)O(2) in the NASA polynomial form of the Burcat database. The special global reaction was introduced to "crack" the main fuel into its constituent components. This general reaction included 309 species and 1472 reactions, including soot and NO(x) formation processes. The detailed combustion mechanism was validated using shock-tube ignition-delay data under diesel engine conditions. For constant volume and diesel engine (Volvo D12C) combustion modeling, this mechanism could be reduced to 88 species participating in 363 reactions.

Mechanical Properties of T650-35/AFR-PE-4 at Elevated Temperatures for Lightweight Aeroshell Designs

NASA Technical Reports Server (NTRS)

Whitley, Karen S.; Collins, TImothy J.

2006-01-01

Considerable efforts have been underway to develop multidisciplinary technologies for aeroshell structures that will significantly increase the allowable working temperature for the aeroshell components, and enable the system to operate at higher temperatures while sustaining performance and durability. As part of these efforts, high temperature polymer matrix composites and fabrication technologies are being developed for the primary load bearing structure (heat shield) of the spacecraft. New high-temperature resins and composite material manufacturing techniques are available that have the potential to significantly improve current aeroshell design. In order to qualify a polymer matrix composite (PMC) material as a candidate aeroshell structural material, its performance must be evaluated under realistic environments. Thus, verification testing of lightweight PMC's at aeroshell entry temperatures is needed to ensure that they will perform successfully in high-temperature environments. Towards this end, a test program was developed to characterize the mechanical properties of two candidate material systems, T650-35/AFR-PE-4 and T650-35/RP46. The two candidate high-temperature polyimide resins, AFR-PE-4 and RP46, were developed at the Air Force Research Laboratory and NASA Langley Research Center, respectively. This paper presents experimental methods, strength, and stiffness data of the T650-35/AFR-PE-4 material as a function of elevated temperatures. The properties determined during the research test program herein, included tensile strength, tensile stiffness, Poisson s ratio, compressive strength, compressive stiffness, shear modulus, and shear strength. Unidirectional laminates, a cross-ply laminate and two eight-harness satin (8HS)-weave laminates (4-ply and 10-ply) were tested according to ASTM standard methods at room and elevated temperatures (23, 316, and 343 C). All of the relevant test methods and data reduction schemes are outlined along with mechanical data. These data contribute to a database of material properties for high-temperature polyimide composites that will be used to identify the material characteristics of potential candidate materials for aeroshell structure applications.

Bioactive glass for dentin remineralization: A systematic review.

PubMed

Fernando, Delihta; Attik, Nina; Pradelle-Plasse, Nelly; Jackson, Phil; Grosgogeat, Brigitte; Colon, Pierre

2017-07-01

Strategies to achieve dentin remineralization is at present an important target of restorative dentistry. Remineralization of dentin by a bioactive material is complete only when the tissue regains its functionality. This is achieved when there is adequate apatite formation which most importantly translates into improved mechanical properties of dentin as a result of intrafibrillar mineralization. Bioactive glass (BAG) is a well-known implant material for bone regeneration and is proven to have excellent ability of apatite formation. Hence, recent studies have proposed BAGs as one of the most desired materials for remineralization of dentin. Therefore the aim of this systematic review was to scope the evidence of bioactive glass to remineralize dentin. The following research question was formulated: "Is there strong evidence for bioactive glass to remineralize dentin?" Three databases (Web of science, PubMed and Science direct) were scanned independently following PRISMA guidelines. Inclusion and exclusion criteria were set to identify relevant articles based on title and abstract screening. Finally, potentially relevant articles were downloaded and the full text was scrutinized to select the articles included in this review. The first phase of search returned 303 articles. A total of 19 papers with full text were scrutinized for inclusion, of which 3 papers were chosen for the final synthesis. All three studies confirm that BAG treatment leads to enhanced apatite formation in dentin. Only 1 of the 3 studies has reported the mechanical properties of dentin after BAG treatment and it revealed that the Young's modulus and flexural bend strength of BAG treated dentin were much lower than natural dentin even though they had similar apatite content. This review highlights the importance of assessing the mechanical properties of dentin alongside to the newly formed apatite content in order to prove BAGs efficiency to remineralize this tissue. Though studies have confirmed that BAGs stimulate excellent apatite formation in dentin, it should be concluded that there isn't sufficient evidence for bioactive glass to effectively remineralize this tissue as the mechanical properties of the BAG treated dentin haven't been well explored. Copyright © 2017 Elsevier B.V. All rights reserved.

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

Kogalovskii, M.R.

This paper presents a review of problems related to statistical database systems, which are wide-spread in various fields of activity. Statistical databases (SDB) are referred to as databases that consist of data and are used for statistical analysis. Topics under consideration are: SDB peculiarities, properties of data models adequate for SDB requirements, metadata functions, null-value problems, SDB compromise protection problems, stored data compression techniques, and statistical data representation means. Also examined is whether the present Database Management Systems (DBMS) satisfy the SDB requirements. Some actual research directions in SDB systems are considered.

From sequence to enzyme mechanism using multi-label machine learning.

PubMed

De Ferrari, Luna; Mitchell, John B O

2014-05-19

In this work we predict enzyme function at the level of chemical mechanism, providing a finer granularity of annotation than traditional Enzyme Commission (EC) classes. Hence we can predict not only whether a putative enzyme in a newly sequenced organism has the potential to perform a certain reaction, but how the reaction is performed, using which cofactors and with susceptibility to which drugs or inhibitors, details with important consequences for drug and enzyme design. Work that predicts enzyme catalytic activity based on 3D protein structure features limits the prediction of mechanism to proteins already having either a solved structure or a close relative suitable for homology modelling. In this study, we evaluate whether sequence identity, InterPro or Catalytic Site Atlas sequence signatures provide enough information for bulk prediction of enzyme mechanism. By splitting MACiE (Mechanism, Annotation and Classification in Enzymes database) mechanism labels to a finer granularity, which includes the role of the protein chain in the overall enzyme complex, the method can predict at 96% accuracy (and 96% micro-averaged precision, 99.9% macro-averaged recall) the MACiE mechanism definitions of 248 proteins available in the MACiE, EzCatDb (Database of Enzyme Catalytic Mechanisms) and SFLD (Structure Function Linkage Database) databases using an off-the-shelf K-Nearest Neighbours multi-label algorithm. We find that InterPro signatures are critical for accurate prediction of enzyme mechanism. We also find that incorporating Catalytic Site Atlas attributes does not seem to provide additional accuracy. The software code (ml2db), data and results are available online at http://sourceforge.net/projects/ml2db/ and as supplementary files.

On the level of coverage and citation of publications by mechanicians of the national academy of sciences of Ukraine in the Scopus database

NASA Astrophysics Data System (ADS)

Guz, A. N.; Rushchitsky, J. J.

2009-11-01

The paper analyzes the level of coverage and citation of publications by mechanicians of the National Academy of Sciences of Ukraine (NASU) in the Scopus database. Two groups of mechanicians are considered. One group includes 66 doctors of sciences of the S. P. Timoshenko Institute of Mechanics as representatives of the oldest institute of the NASU. The other group includes 34 members (academicians and corresponding members) of the Division of Mechanics of the NASU as representatives of the authoritative community of mechanicians in Ukraine. The results are presented for each scientist in the form of two indices—the total number of publications accessible in the database as the level of coverage of the scientist's publications in this database and the h-index as the citation level of these publications. This paper may be considered to continue the papers [6-12] published in Prikladnaya Mekhanika (International Applied Mechanics) in 2005-2009

47 CFR 15.711 - Interference avoidance methods.

Code of Federal Regulations, 2011 CFR

2011-10-01

... channel availability for a TVBD is determined based on the geo-location and database access method described in paragraphs (a) and (b) of this section. (a) Geo-location and database access. A TVBD shall rely on the geo-location and database access mechanism to identify available television channels...

47 CFR 15.711 - Interference avoidance methods.

Code of Federal Regulations, 2013 CFR

2013-10-01

... channel availability for a TVBD is determined based on the geo-location and database access method described in paragraphs (a) and (b) of this section. (a) Geo-location and database access. A TVBD shall rely on the geo-location and database access mechanism to identify available television channels...

47 CFR 15.711 - Interference avoidance methods.

Code of Federal Regulations, 2014 CFR

2014-10-01

... channel availability for a TVBD is determined based on the geo-location and database access method described in paragraphs (a) and (b) of this section. (a) Geo-location and database access. A TVBD shall rely on the geo-location and database access mechanism to identify available television channels...

47 CFR 15.711 - Interference avoidance methods.

Code of Federal Regulations, 2012 CFR

2012-10-01

... channel availability for a TVBD is determined based on the geo-location and database access method described in paragraphs (a) and (b) of this section. (a) Geo-location and database access. A TVBD shall rely on the geo-location and database access mechanism to identify available television channels...

A geodata warehouse: Using denormalisation techniques as a tool for delivering spatially enabled integrated geological information to geologists

NASA Astrophysics Data System (ADS)

Kingdon, Andrew; Nayembil, Martin L.; Richardson, Anne E.; Smith, A. Graham

2016-11-01

New requirements to understand geological properties in three dimensions have led to the development of PropBase, a data structure and delivery tools to deliver this. At the BGS, relational database management systems (RDBMS) has facilitated effective data management using normalised subject-based database designs with business rules in a centralised, vocabulary controlled, architecture. These have delivered effective data storage in a secure environment. However, isolated subject-oriented designs prevented efficient cross-domain querying of datasets. Additionally, the tools provided often did not enable effective data discovery as they struggled to resolve the complex underlying normalised structures providing poor data access speeds. Users developed bespoke access tools to structures they did not fully understand sometimes delivering them incorrect results. Therefore, BGS has developed PropBase, a generic denormalised data structure within an RDBMS to store property data, to facilitate rapid and standardised data discovery and access, incorporating 2D and 3D physical and chemical property data, with associated metadata. This includes scripts to populate and synchronise the layer with its data sources through structured input and transcription standards. A core component of the architecture includes, an optimised query object, to deliver geoscience information from a structure equivalent to a data warehouse. This enables optimised query performance to deliver data in multiple standardised formats using a web discovery tool. Semantic interoperability is enforced through vocabularies combined from all data sources facilitating searching of related terms. PropBase holds 28.1 million spatially enabled property data points from 10 source databases incorporating over 50 property data types with a vocabulary set that includes 557 property terms. By enabling property data searches across multiple databases PropBase has facilitated new scientific research, previously considered impractical. PropBase is easily extended to incorporate 4D data (time series) and is providing a baseline for new "big data" monitoring projects.

Systematic analysis of snake neurotoxins' functional classification using a data warehousing approach.

PubMed

Siew, Joyce Phui Yee; Khan, Asif M; Tan, Paul T J; Koh, Judice L Y; Seah, Seng Hong; Koo, Chuay Yeng; Chai, Siaw Ching; Armugam, Arunmozhiarasi; Brusic, Vladimir; Jeyaseelan, Kandiah

2004-12-12

Sequence annotations, functional and structural data on snake venom neurotoxins (svNTXs) are scattered across multiple databases and literature sources. Sequence annotations and structural data are available in the public molecular databases, while functional data are almost exclusively available in the published articles. There is a need for a specialized svNTXs database that contains NTX entries, which are organized, well annotated and classified in a systematic manner. We have systematically analyzed svNTXs and classified them using structure-function groups based on their structural, functional and phylogenetic properties. Using conserved motifs in each phylogenetic group, we built an intelligent module for the prediction of structural and functional properties of unknown NTXs. We also developed an annotation tool to aid the functional prediction of newly identified NTXs as an additional resource for the venom research community. We created a searchable online database of NTX proteins sequences (http://research.i2r.a-star.edu.sg/Templar/DB/snake_neurotoxin). This database can also be found under Swiss-Prot Toxin Annotation Project website (http://www.expasy.org/sprot/).

SATPdb: a database of structurally annotated therapeutic peptides

PubMed Central

Singh, Sandeep; Chaudhary, Kumardeep; Dhanda, Sandeep Kumar; Bhalla, Sherry; Usmani, Salman Sadullah; Gautam, Ankur; Tuknait, Abhishek; Agrawal, Piyush; Mathur, Deepika; Raghava, Gajendra P.S.

2016-01-01

SATPdb (http://crdd.osdd.net/raghava/satpdb/) is a database of structurally annotated therapeutic peptides, curated from 22 public domain peptide databases/datasets including 9 of our own. The current version holds 19192 unique experimentally validated therapeutic peptide sequences having length between 2 and 50 amino acids. It covers peptides having natural, non-natural and modified residues. These peptides were systematically grouped into 10 categories based on their major function or therapeutic property like 1099 anticancer, 10585 antimicrobial, 1642 drug delivery and 1698 antihypertensive peptides. We assigned or annotated structure of these therapeutic peptides using structural databases (Protein Data Bank) and state-of-the-art structure prediction methods like I-TASSER, HHsearch and PEPstrMOD. In addition, SATPdb facilitates users in performing various tasks that include: (i) structure and sequence similarity search, (ii) peptide browsing based on their function and properties, (iii) identification of moonlighting peptides and (iv) searching of peptides having desired structure and therapeutic activities. We hope this database will be useful for researchers working in the field of peptide-based therapeutics. PMID:26527728

A method to implement fine-grained access control for personal health records through standard relational database queries.

PubMed

Sujansky, Walter V; Faus, Sam A; Stone, Ethan; Brennan, Patricia Flatley

2010-10-01

Online personal health records (PHRs) enable patients to access, manage, and share certain of their own health information electronically. This capability creates the need for precise access-controls mechanisms that restrict the sharing of data to that intended by the patient. The authors describe the design and implementation of an access-control mechanism for PHR repositories that is modeled on the eXtensible Access Control Markup Language (XACML) standard, but intended to reduce the cognitive and computational complexity of XACML. The authors implemented the mechanism entirely in a relational database system using ANSI-standard SQL statements. Based on a set of access-control rules encoded as relational table rows, the mechanism determines via a single SQL query whether a user who accesses patient data from a specific application is authorized to perform a requested operation on a specified data object. Testing of this query on a moderately large database has demonstrated execution times consistently below 100ms. The authors include the details of the implementation, including algorithms, examples, and a test database as Supplementary materials. Copyright © 2010 Elsevier Inc. All rights reserved.

Effect of Young's Modulus and Surface Roughness on the Inter-Particle Friction of Granular Materials.

PubMed

Sandeep, Chitta Sai; Senetakis, Kostas

2018-01-31

In the study we experimentally examine the influence of elastic properties and surface morphology on the inter-particle friction of natural soil grains. The experiments are conducted with a custom-built micromechanical apparatus and the database is enhanced by testing engineered-reference grains. Naturally-occurring geological materials are characterized by a wide spectrum of mechanical properties (e.g., Young's modulus) and surface morphology (e.g., roughness), whereas engineered grains have much more consistent characteristics. Comparing to engineered materials, geological materials are found to display more pronounced initial plastic behavior during compression. Under the low normal load range applied in the study, between 1 and 5 N, we found that the frictional force is linearly correlated with the applied normal load, but we acknowledge that the data are found more scattered for natural soil grains, especially for rough and weathered materials which have inconsistent characteristics. The inter-particle coefficient of friction is found to be inversely correlated with the Young's modulus and the surface roughness. These findings are important in geophysical and petroleum engineering contents, since a number of applications, such as landslides and granular flows, hydraulic fracturing using proppants, and weathering process of cliffs, among others, can be simulated using discrete numerical methods. These methods employ contact mechanics properties at the grain scale and the inter-particle friction is one of these critical components. It is stressed in our study that friction is well correlated with the elastic and morphological characteristics of the grains.

Computer Security Products Technology Overview

DTIC Science & Technology

1988-10-01

13 3. DATABASE MANAGEMENT SYSTEMS ................................... 15 Definition...this paper addresses fall into the areas of multi-user hosts, database management systems (DBMS), workstations, networks, guards and gateways, and...provide a portion of that protection, for example, a password scheme, a file protection mechanism, a secure database management system, or even a

Integration of NASA/GSFC and USGS Rock Magnetic Databases.

NASA Astrophysics Data System (ADS)

Nazarova, K. A.; Glen, J. M.

2004-05-01

A global Magnetic Petrology Database (MPDB) was developed and continues to be updated at NASA/Goddard Space Flight Center. The purpose of this database is to provide the geomagnetic community with a comprehensive and user-friendly method of accessing magnetic petrology data via the Internet for a more realistic interpretation of satellite (as well as aeromagnetic and ground) lithospheric magnetic anomalies. The MPDB contains data on rocks from localities around the world (about 19,000 samples) including the Ukranian and Baltic Shields, Kamchatka, Iceland, Urals Mountains, etc. The MPDB is designed, managed and presented on the web as a research oriented database. Several database applications have been specifically developed for data manipulation and analysis of the MPDB. The geophysics unit at the USGS in Menlo Park has over 17,000 rock-property data, largely from sites within the western U.S. This database contains rock-density and rock-magnetic parameters collected for use in gravity and magnetic field modeling, and paleomagnetic studies. Most of these data were taken from surface outcrops and together they span a broad range of rock types. Measurements were made either in-situ at the outcrop, or in the laboratory on hand samples and paleomagnetic cores acquired in the field. The USGS and NASA/GSFC data will be integrated as part of an effort to provide public access to a single, uniformly maintained database. Due to the large number of data and the very large area sampled, the database can yield rock-property statistics on a broad range of rock types; it is thus applicable to study areas beyond the geographic scope of the database. The intent of this effort is to provide incentive for others to further contribute to the database, and a tool with which the geophysical community can entertain studies formerly precluded.

Direct metal laser sintering titanium dental implants: a review of the current literature.

PubMed

Mangano, F; Chambrone, L; van Noort, R; Miller, C; Hatton, P; Mangano, C

2014-01-01

Statement of Problem. Direct metal laser sintering (DMLS) is a technology that allows fabrication of complex-shaped objects from powder-based materials, according to a three-dimensional (3D) computer model. With DMLS, it is possible to fabricate titanium dental implants with an inherently porous surface, a key property required of implantation devices. Objective. The aim of this review was to evaluate the evidence for the reliability of DMLS titanium dental implants and their clinical and histologic/histomorphometric outcomes, as well as their mechanical properties. Materials and Methods. Electronic database searches were performed. Inclusion criteria were clinical and radiographic studies, histologic/histomorphometric studies in humans and animals, mechanical evaluations, and in vitro cell culture studies on DMLS titanium implants. Meta-analysis could be performed only for randomized controlled trials (RCTs); to evaluate the methodological quality of observational human studies, the Newcastle-Ottawa scale (NOS) was used. Results. Twenty-seven studies were included in this review. No RCTs were found, and meta-analysis could not be performed. The outcomes of observational human studies were assessed using the NOS: these studies showed medium methodological quality. Conclusions. Several studies have demonstrated the potential for the use of DMLS titanium implants. However, further studies that demonstrate the benefits of DMLS implants over conventional implants are needed.

Direct Metal Laser Sintering Titanium Dental Implants: A Review of the Current Literature

PubMed Central

Mangano, F.; Chambrone, L.; van Noort, R.; Miller, C.; Hatton, P.; Mangano, C.

2014-01-01

Statement of Problem. Direct metal laser sintering (DMLS) is a technology that allows fabrication of complex-shaped objects from powder-based materials, according to a three-dimensional (3D) computer model. With DMLS, it is possible to fabricate titanium dental implants with an inherently porous surface, a key property required of implantation devices. Objective. The aim of this review was to evaluate the evidence for the reliability of DMLS titanium dental implants and their clinical and histologic/histomorphometric outcomes, as well as their mechanical properties. Materials and Methods. Electronic database searches were performed. Inclusion criteria were clinical and radiographic studies, histologic/histomorphometric studies in humans and animals, mechanical evaluations, and in vitro cell culture studies on DMLS titanium implants. Meta-analysis could be performed only for randomized controlled trials (RCTs); to evaluate the methodological quality of observational human studies, the Newcastle-Ottawa scale (NOS) was used. Results. Twenty-seven studies were included in this review. No RCTs were found, and meta-analysis could not be performed. The outcomes of observational human studies were assessed using the NOS: these studies showed medium methodological quality. Conclusions. Several studies have demonstrated the potential for the use of DMLS titanium implants. However, further studies that demonstrate the benefits of DMLS implants over conventional implants are needed. PMID:25525434

Virtual Interactive Musculoskeletal System (VIMS) in orthopaedic research, education and clinical patient care.

PubMed

Chao, Edmund Y S; Armiger, Robert S; Yoshida, Hiroaki; Lim, Jonathan; Haraguchi, Naoki

2007-03-08

The ability to combine physiology and engineering analyses with computer sciences has opened the door to the possibility of creating the "Virtual Human" reality. This paper presents a broad foundation for a full-featured biomechanical simulator for the human musculoskeletal system physiology. This simulation technology unites the expertise in biomechanical analysis and graphic modeling to investigate joint and connective tissue mechanics at the structural level and to visualize the results in both static and animated forms together with the model. Adaptable anatomical models including prosthetic implants and fracture fixation devices and a robust computational infrastructure for static, kinematic, kinetic, and stress analyses under varying boundary and loading conditions are incorporated on a common platform, the VIMS (Virtual Interactive Musculoskeletal System). Within this software system, a manageable database containing long bone dimensions, connective tissue material properties and a library of skeletal joint system functional activities and loading conditions are also available and they can easily be modified, updated and expanded. Application software is also available to allow end-users to perform biomechanical analyses interactively. Examples using these models and the computational algorithms in a virtual laboratory environment are used to demonstrate the utility of these unique database and simulation technology. This integrated system, model library and database will impact on orthopaedic education, basic research, device development and application, and clinical patient care related to musculoskeletal joint system reconstruction, trauma management, and rehabilitation.

Virtual interactive musculoskeletal system (VIMS) in orthopaedic research, education and clinical patient care

PubMed Central

Chao, Edmund YS; Armiger, Robert S; Yoshida, Hiroaki; Lim, Jonathan; Haraguchi, Naoki

2007-01-01

The ability to combine physiology and engineering analyses with computer sciences has opened the door to the possibility of creating the "Virtual Human" reality. This paper presents a broad foundation for a full-featured biomechanical simulator for the human musculoskeletal system physiology. This simulation technology unites the expertise in biomechanical analysis and graphic modeling to investigate joint and connective tissue mechanics at the structural level and to visualize the results in both static and animated forms together with the model. Adaptable anatomical models including prosthetic implants and fracture fixation devices and a robust computational infrastructure for static, kinematic, kinetic, and stress analyses under varying boundary and loading conditions are incorporated on a common platform, the VIMS (Virtual Interactive Musculoskeletal System). Within this software system, a manageable database containing long bone dimensions, connective tissue material properties and a library of skeletal joint system functional activities and loading conditions are also available and they can easily be modified, updated and expanded. Application software is also available to allow end-users to perform biomechanical analyses interactively. Examples using these models and the computational algorithms in a virtual laboratory environment are used to demonstrate the utility of these unique database and simulation technology. This integrated system, model library and database will impact on orthopaedic education, basic research, device development and application, and clinical patient care related to musculoskeletal joint system reconstruction, trauma management, and rehabilitation. PMID:17343764

Thermal and Chemical Characterization of Composite Materials. MSFC Center Director's Discretionary Fund Final Report, Project No. ED36-18

NASA Technical Reports Server (NTRS)

Stanley, D. C.; Huff, T. L.

2003-01-01

The purpose of this research effort was to: (1) provide a concise and well-defined property profile of current and developing composite materials using thermal and chemical characterization techniques and (2) optimize analytical testing requirements of materials. This effort applied a diverse array of methodologies to ascertain composite material properties. Often, a single method of technique will provide useful, but nonetheless incomplete, information on material composition and/or behavior. To more completely understand and predict material properties, a broad-based analytical approach is required. By developing a database of information comprised of both thermal and chemical properties, material behavior under varying conditions may be better understood. THis is even more important in the aerospace community, where new composite materials and those in the development stage have little reference data. For example, Fourier transform infrared (FTIR) spectroscopy spectral databases available for identification of vapor phase spectra, such as those generated during experiments, generally refer to well-defined chemical compounds. Because this method renders a unique thermal decomposition spectral pattern, even larger, more diverse databases, such as those found in solid and liquid phase FTIR spectroscopy libraries, cannot be used. By combining this and other available methodologies, a database specifically for new materials and materials being developed at Marshall Space Flight Center can be generated . In addition, characterizing materials using this approach will be extremely useful in the verification of materials and identification of anomalies in NASA-wide investigations.

Zipf's Law in Short-Time Timbral Codings of Speech, Music, and Environmental Sound Signals

PubMed Central

Haro, Martín; Serrà, Joan; Herrera, Perfecto; Corral, Álvaro

2012-01-01

Timbre is a key perceptual feature that allows discrimination between different sounds. Timbral sensations are highly dependent on the temporal evolution of the power spectrum of an audio signal. In order to quantitatively characterize such sensations, the shape of the power spectrum has to be encoded in a way that preserves certain physical and perceptual properties. Therefore, it is common practice to encode short-time power spectra using psychoacoustical frequency scales. In this paper, we study and characterize the statistical properties of such encodings, here called timbral code-words. In particular, we report on rank-frequency distributions of timbral code-words extracted from 740 hours of audio coming from disparate sources such as speech, music, and environmental sounds. Analogously to text corpora, we find a heavy-tailed Zipfian distribution with exponent close to one. Importantly, this distribution is found independently of different encoding decisions and regardless of the audio source. Further analysis on the intrinsic characteristics of most and least frequent code-words reveals that the most frequent code-words tend to have a more homogeneous structure. We also find that speech and music databases have specific, distinctive code-words while, in the case of the environmental sounds, this database-specific code-words are not present. Finally, we find that a Yule-Simon process with memory provides a reasonable quantitative approximation for our data, suggesting the existence of a common simple generative mechanism for all considered sound sources. PMID:22479497

Elastic-Plastic J-Integral Solutions or Surface Cracks in Tension Using an Interpolation Methodology. Appendix C -- Finite Element Models Solution Database File, Appendix D -- Benchmark Finite Element Models Solution Database File

NASA Technical Reports Server (NTRS)

Allen, Phillip A.; Wells, Douglas N.

2013-01-01

No closed form solutions exist for the elastic-plastic J-integral for surface cracks due to the nonlinear, three-dimensional nature of the problem. Traditionally, each surface crack must be analyzed with a unique and time-consuming nonlinear finite element analysis. To overcome this shortcoming, the authors have developed and analyzed an array of 600 3D nonlinear finite element models for surface cracks in flat plates under tension loading. The solution space covers a wide range of crack shapes and depths (shape: 0.2 less than or equal to a/c less than or equal to 1, depth: 0.2 less than or equal to a/B less than or equal to 0.8) and material flow properties (elastic modulus-to-yield ratio: 100 less than or equal to E/ys less than or equal to 1,000, and hardening: 3 less than or equal to n less than or equal to 20). The authors have developed a methodology for interpolating between the goemetric and material property variables that allows the user to reliably evaluate the full elastic-plastic J-integral and force versus crack mouth opening displacement solution; thus, a solution can be obtained very rapidly by users without elastic-plastic fracture mechanics modeling experience. Complete solutions for the 600 models and 25 additional benchmark models are provided in tabular format.

Characterization of materials formed by rice husk for construction

NASA Astrophysics Data System (ADS)

Portillo-Rodríguez, A. M.

2013-11-01

This review article delves into the use of agro-industrial wastes, which in construction field provides alternatives for environmental problems with the use of them. This fact enables development and lower costs for new options in the brick, cluster, mortar and concrete industry, what represents benefits for environment, housing and generally everything related to construction, looking for sustainability. For that reason a literature review is made to support the theme focusing on the use of rice husk in its natural, ground or ash state for manufacturing elements with clay masonry, precast and optimization of concrete and mortars. The technique used is based on scientific articles and researches found in reliable databases that were analyzed and integrated into a synthesized structure, which summarized the objectives, analysis processes, the physical and mechanical properties and finally the results. The conclusions are focused on potentiality of elements production in the construction development based on the high effectiveness like thermal insulation, low density and various benefits offered by high silica content pozzolanic properties, etc.

Multiscale Modeling of UHTC: Thermal Conductivity

NASA Technical Reports Server (NTRS)

Lawson, John W.; Murry, Daw; Squire, Thomas; Bauschlicher, Charles W.

2012-01-01

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

Multi-source and ontology-based retrieval engine for maize mutant phenotypes

PubMed Central

Green, Jason M.; Harnsomburana, Jaturon; Schaeffer, Mary L.; Lawrence, Carolyn J.; Shyu, Chi-Ren

2011-01-01

Model Organism Databases, including the various plant genome databases, collect and enable access to massive amounts of heterogeneous information, including sequence data, gene product information, images of mutant phenotypes, etc, as well as textual descriptions of many of these entities. While a variety of basic browsing and search capabilities are available to allow researchers to query and peruse the names and attributes of phenotypic data, next-generation search mechanisms that allow querying and ranking of text descriptions are much less common. In addition, the plant community needs an innovative way to leverage the existing links in these databases to search groups of text descriptions simultaneously. Furthermore, though much time and effort have been afforded to the development of plant-related ontologies, the knowledge embedded in these ontologies remains largely unused in available plant search mechanisms. Addressing these issues, we have developed a unique search engine for mutant phenotypes from MaizeGDB. This advanced search mechanism integrates various text description sources in MaizeGDB to aid a user in retrieving desired mutant phenotype information. Currently, descriptions of mutant phenotypes, loci and gene products are utilized collectively for each search, though expansion of the search mechanism to include other sources is straightforward. The retrieval engine, to our knowledge, is the first engine to exploit the content and structure of available domain ontologies, currently the Plant and Gene Ontologies, to expand and enrich retrieval results in major plant genomic databases. Database URL: http:www.PhenomicsWorld.org/QBTA.php PMID:21558151

Anisotropy and non-homogeneity of an Allomyrina Dichotoma beetle hind wing membrane.

PubMed

Ha, N S; Jin, T L; Goo, N S; Park, H C

2011-12-01

Biomimetics is one of the most important paradigms as researchers seek to invent better engineering designs over human history. However, the observation of insect flight is a relatively recent work. Several researchers have tried to address the aerodynamic performance of flapping creatures and other natural properties of insects, although there are still many unsolved questions. In this study, we try to answer the questions related to the mechanical properties of a beetle's hind wing, which consists of a stiff vein structure and a flexible membrane. The membrane of a beetle's hind wing is small and flexible to the point that conventional methods cannot adequately quantify the material properties. The digital image correlation method, a non-contact displacement measurement method, is used along with a specially designed mini-tensile testing system. To reduce the end effects, we developed an experimental method that can deal with specimens with as high an aspect ratio as possible. Young's modulus varies over the area in the wing and ranges from 2.97 to 4.5 GPa in the chordwise direction and from 1.63 to 2.24 GPa in the spanwise direction. Furthermore, Poisson's ratio in the chordwise direction is 0.63-0.73 and approximately twice as large as that in the spanwise direction (0.33-0.39). From these results, we can conclude that the membrane of a beetle's hind wing is an anisotropic and non-homogeneous material. Our results will provide a better understanding of the flapping mechanism through the formulation of a fluid-structure interaction analysis or aero-elasticity analysis and meritorious data for biomaterial properties database as well as a creative design concept for a micro aerial flapper that mimics an insect.

In silico environmental chemical science: properties and processes from statistical and computational modelling

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

Tratnyek, Paul G.; Bylaska, Eric J.; Weber, Eric J.

2017-01-01

Quantitative structure–activity relationships (QSARs) have long been used in the environmental sciences. More recently, molecular modeling and chemoinformatic methods have become widespread. These methods have the potential to expand and accelerate advances in environmental chemistry because they complement observational and experimental data with “in silico” results and analysis. The opportunities and challenges that arise at the intersection between statistical and theoretical in silico methods are most apparent in the context of properties that determine the environmental fate and effects of chemical contaminants (degradation rate constants, partition coefficients, toxicities, etc.). The main example of this is the calibration of QSARs usingmore » descriptor variable data calculated from molecular modeling, which can make QSARs more useful for predicting property data that are unavailable, but also can make them more powerful tools for diagnosis of fate determining pathways and mechanisms. Emerging opportunities for “in silico environmental chemical science” are to move beyond the calculation of specific chemical properties using statistical models and toward more fully in silico models, prediction of transformation pathways and products, incorporation of environmental factors into model predictions, integration of databases and predictive models into more comprehensive and efficient tools for exposure assessment, and extending the applicability of all the above from chemicals to biologicals and materials.« less

An Autonomic Framework for Integrating Security and Quality of Service Support in Databases

ERIC Educational Resources Information Center

Alomari, Firas

2013-01-01

The back-end databases of multi-tiered applications are a major data security concern for enterprises. The abundance of these systems and the emergence of new and different threats require multiple and overlapping security mechanisms. Therefore, providing multiple and diverse database intrusion detection and prevention systems (IDPS) is a critical…

The Effect of Impurities on the Processing of Aluminum Alloys

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

Zi-Kui Liu; Shengjun Zhang; Qingyou Han

2007-04-23

For this Aluminum Industry of the Future (IOF) project, the effect of impurities on the processing of aluminum alloys was systematically investigated. The work was carried out as a collaborative effort between the Pennsylvania State University and Oak Ridge National Laboratory. Industrial support was provided by ALCOA and ThermoCalc, Inc. The achievements described below were made. A method that combines first-principles calculation and calculation of phase diagrams (CALPHAD) was used to develop the multicomponent database Al-Ca-K-Li-Mg-Na. This method was extensively used in this project for the development of a thermodynamic database. The first-principles approach provided some thermodynamic property data thatmore » are not available in the open literature. These calculated results were used in the thermodynamic modeling as experimental data. Some of the thermodynamic property data are difficult, if not impossible, to measure. The method developed and used in this project allows the estimation of these data for thermodynamic database development. The multicomponent database Al-Ca-K-Li-Mg-Na was developed. Elements such as Ca, Li, Na, and K are impurities that strongly affect the formability and corrosion behavior of aluminum alloys. However, these impurity elements are not included in the commercial aluminum alloy database. The process of thermodynamic modeling began from Al-Na, Ca-Li, Li-Na, K-Na, and Li-K sub-binary systems. Then ternary and higher systems were extrapolated because of the lack of experimental information. Databases for five binary alloy systems and two ternary systems were developed. Along with other existing binary and ternary databases, the full database of the multicomponent Al-Ca-K-Li-Mg-Na system was completed in this project. The methodology in integrating with commercial or other aluminum alloy databases can be developed. The mechanism of sodium-induced high-temperature embrittlement (HTE) of Al-Mg is now understood. Using the thermodynamic database developed in this project, thermodynamic simulations were carried out to investigate the effect of sodium on the HTE of Al-Mg alloys. The simulation results indicated that the liquid miscibility gap resulting from the dissolved sodium in the molten material plays an important role in HTE. A liquid phase forms from the solid face-centered cubic (fcc) phase (most likely at grain boundaries) during cooling, resulting in the occurrence of HTE. Comparison of the thermodynamic simulation results with experimental measurements on the high-temperature ductility of an Al-5Mg-Na alloy shows that HTE occurs in the temperature range at which the liquid phase exists. Based on this fundamental understanding of the HTE mechanism during processing of aluminum alloy, an HTE sensitive zone and a hot-rolling safe zone of the Al-Mg-Na alloys are defined as functions of processing temperature and alloy composition. The tendency of HTE was evaluated based on thermodynamic simulations of the fraction of the intergranular sodium-rich liquid phase. Methods of avoiding HTE during rolling/extrusion of Al-Mg-based alloys were suggested. Energy and environmental benefits from the results of this project could occur through a number of avenues: (1) energy benefits accruing from reduced rejection rates of the aluminum sheet and bar, (2) reduced dross formation during the remelting of the aluminum rejects, and (3) reduced CO2 emission related to the energy savings. The sheet and extruded bar quantities produced in the United States during 2000 were 10,822 and 4,546 million pounds, respectively. It is assumed that 50% of the sheet and 10% of the bar will be affected by implementing the results of this project. With the current process, the rejection rate of sheet and bar is estimated at 5%. Assuming that at least half of the 5% rejection of sheet and bar will be eliminated by using the results of this project and that 4% of the aluminum will be lost through dross (Al2O3) during remelting of the rejects, the full-scale industrial implementation of the project results would lead to energy savings in excess of 6.2 trillion Btu/year and cost savings of $42.7 million by 2020.« less

[Validation of interaction databases in psychopharmacotherapy].

PubMed

Hahn, M; Roll, S C

2018-03-01

Drug-drug interaction databases are an important tool to increase drug safety in polypharmacy. There are several drug interaction databases available but it is unclear which one shows the best results and therefore increases safety for the user of the databases and the patients. So far, there has been no validation of German drug interaction databases. Validation of German drug interaction databases regarding the number of hits, mechanisms of drug interaction, references, clinical advice, and severity of the interaction. A total of 36 drug interactions which were published in the last 3-5 years were checked in 5 different databases. Besides the number of hits, it was also documented if the mechanism was correct, clinical advice was given, primary literature was cited, and the severity level of the drug-drug interaction was given. All databases showed weaknesses regarding the hit rate of the tested drug interactions, with a maximum of 67.7% hits. The highest score in this validation was achieved by MediQ with 104 out of 180 points. PsiacOnline achieved 83 points, arznei-telegramm® 58, ifap index® 54 and the ABDA-database 49 points. Based on this validation MediQ seems to be the most suitable databank for the field of psychopharmacotherapy. The best results in this comparison were achieved by MediQ but this database also needs improvement with respect to the hit rate so that the users can rely on the results and therefore increase drug therapy safety.

EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities

PubMed Central

Hsin, Kun-Yi; Morgan, Hugh P.; Shave, Steven R.; Hinton, Andrew C.; Taylor, Paul; Walkinshaw, Malcolm D.

2011-01-01

We present the relational database EDULISS (EDinburgh University Ligand Selection System), which stores structural, physicochemical and pharmacophoric properties of small molecules. The database comprises a collection of over 4 million commercially available compounds from 28 different suppliers. A user-friendly web-based interface for EDULISS (available at http://eduliss.bch.ed.ac.uk/) has been established providing a number of data-mining possibilities. For each compound a single 3D conformer is stored along with over 1600 calculated descriptor values (molecular properties). A very efficient method for unique compound recognition, especially for a large scale database, is demonstrated by making use of small subgroups of the descriptors. Many of the shape and distance descriptors are held as pre-calculated bit strings permitting fast and efficient similarity and pharmacophore searches which can be used to identify families of related compounds for biological testing. Two ligand searching applications are given to demonstrate how EDULISS can be used to extract families of molecules with selected structural and biophysical features. PMID:21051336

Application of materials database (MAT.DB.) to materials education

NASA Technical Reports Server (NTRS)

Liu, Ping; Waskom, Tommy L.

1994-01-01

Finding the right material for the job is an important aspect of engineering. Sometimes the choice is as fundamental as selecting between steel and aluminum. Other times, the choice may be between different compositions in an alloy. Discovering and compiling materials data is a demanding task, but it leads to accurate models for analysis and successful materials application. Mat. DB. is a database management system designed for maintaining information on the properties and processing of engineered materials, including metals, plastics, composites, and ceramics. It was developed by the Center for Materials Data of American Society for Metals (ASM) International. The ASM Center for Materials Data collects and reviews material property data for publication in books, reports, and electronic database. Mat. DB was developed to aid the data management and material applications.

Asteroid surface processes: Experimental studies of the solar wind on reflectance and optical properties of asteroids

NASA Technical Reports Server (NTRS)

Mcfadden, Lucy-Ann

1991-01-01

The effect of the solar wind on the optical properties of meteorites was studied to determine whether the solar wind can alter the properties of ordinary chondrite parent bodies resulting in the spectral properties of S-type asteroids. The existing database of optical properties of asteroids was analyzed to determine the effect of solar wind in altering asteroid surface properties.

Software database creature for investment property measurement according to international standards

NASA Astrophysics Data System (ADS)

Ponomareva, S. V.; Merzliakova, N. A.

2018-05-01

The article deals with investment property measurement and accounting problems at the international, national and enterprise levels. The need to create the software for investment property measurement according to International Accounting Standards was substantiated. The necessary software functions and the processes were described.

Computer aided modeling of soil mix designs to predict characteristics and properties of stabilized road bases.

DOT National Transportation Integrated Search

2009-07-01

"Considerable data exists for soils that were tested and documented, both for native properties and : properties with pozzolan stabilization. While the data exists there was no database for the Nebraska : Department of Roads to retrieve this data for...

Measurement and modeling of unsaturated hydraulic conductivity

USGS Publications Warehouse

Perkins, Kim S.; Elango, Lakshmanan

2011-01-01

The unsaturated zone plays an extremely important hydrologic role that influences water quality and quantity, ecosystem function and health, the connection between atmospheric and terrestrial processes, nutrient cycling, soil development, and natural hazards such as flooding and landslides. Unsaturated hydraulic conductivity is one of the main properties considered to govern flow; however it is very difficult to measure accurately. Knowledge of the highly nonlinear relationship between unsaturated hydraulic conductivity (K) and volumetric water content is required for widely-used models of water flow and solute transport processes in the unsaturated zone. Measurement of unsaturated hydraulic conductivity of sediments is costly and time consuming, therefore use of models that estimate this property from more easily measured bulk-physical properties is common. In hydrologic studies, calculations based on property-transfer models informed by hydraulic property databases are often used in lieu of measured data from the site of interest. Reliance on database-informed predicted values with the use of neural networks has become increasingly common. Hydraulic properties predicted using databases may be adequate in some applications, but not others. This chapter will discuss, by way of examples, various techniques used to measure and model hydraulic conductivity as a function of water content, K. The parameters that describe the K curve obtained by different methods are used directly in Richards’ equation-based numerical models, which have some degree of sensitivity to those parameters. This chapter will explore the complications of using laboratory measured or estimated properties for field scale investigations to shed light on how adequately the processes are represented. Additionally, some more recent concepts for representing unsaturated-zone flow processes will be discussed.

In-Space Manufacturing Baseline Property Development

NASA Technical Reports Server (NTRS)

Stockman, Tom; Schneider, Judith; Prater, Tracie; Bean, Quincy; Werkheiser, Nicki

2016-01-01

The In-Space Manufacturing (ISM) project at NASA Marshall Space Flight Center currently operates a 3D FDM (fused deposition modeling) printer onboard the International Space Station. In order to enable utilization of this capability by designer, the project needs to establish characteristic material properties for materials produced using the process. This is difficult for additive manufacturing since standards and specifications do not yet exist for these technologies. Due to availability of crew time, there are limitations to the sample size which in turn limits the application of the traditional design allowables approaches to develop a materials property database for designers. In this study, various approaches to development of material databases were evaluated for use by designers of space systems who wish to leverage in-space manufacturing capabilities. This study focuses on alternative statistical techniques for baseline property development to support in-space manufacturing.

The VLab repository of thermodynamics and thermoelastic properties of minerals

NASA Astrophysics Data System (ADS)

Da Silveira, P. R.; Sarkar, K.; Wentzcovitch, R. M.; Shukla, G.; Lindemann, W.; Wu, Z.

2015-12-01

Thermodynamics and thermoelastic properties of minerals at planetary interior conditions are essential as input for geodynamics simulations and for interpretation of seismic tomography models. Precise experimental determination of these properties at such extreme conditions is very challenging. Therefore, ab initio calculations play an essential role in this context, but at the cost of great computational effort and memory use. Setting up a widely accessible and versatile mineral physics database can relax unnecessary repetition of such computationally intensive calculations. Access to such data facilitates transactional interaction across fields and can advance more quickly insights about deep Earth processes. Hosted by the Minnesota Supercomputing Institute, the Virtual Laboratory for Earth and Planetary Materials (VLab) was designed to develop and promote the theory of planetary materials using distributed, high-throughput quantum calculations. VLab hosts an interactive database of thermodynamics and thermoelastic properties or minerals computed by ab initio. Such properties can be obtained according to user's preference. The database is accompanied by interactive visualization tools, allowing users to repeat and build upon previously published results. Using VLab2015, we have evaluated thermoelastic properties, such as elastic coefficients (Cij), Voigt, Reuss, and Voigt-Reuss-Hill aggregate averages for bulk (K) and shear modulus (G), shear wave velocity (VS), longitudinal wave velocity (Vp), and bulk sound velocity (V0) for several important minerals. Developed web services are general and can be used for crystals of any symmetry. Results can be tabulated, plotted, or downloaded from the VLab website according to user's preference.

Characterization of Radiation Fields in Biological Shields of Nuclear Power Plants for Assessing Concrete Degradation

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

Remec, Igor; Rosseel, Thomas M; Field, Kevin G

Life extensions of nuclear power plants to 60 and potentially 80 years of operation have renewed interest in long-term material degradation. One material being considered is concrete with a particular focus on radiation-induced effects. Based on the projected neutron fluence (E > 0.1 MeV) values in the concrete biological shields of the US PWR fleet and the available data on radiation effects on concrete, some decrease in mechanical properties of concrete cannot be ruled out during extended operation beyond 60 years. An expansion of the irradiated concrete database and a reliable determination of relevant neutron fluence energy cutoff value aremore » necessary to assure reliable risk assessment for NPPs extended operation.« less

Low-level image properties in facial expressions.

PubMed

Menzel, Claudia; Redies, Christoph; Hayn-Leichsenring, Gregor U

2018-06-04

We studied low-level image properties of face photographs and analyzed whether they change with different emotional expressions displayed by an individual. Differences in image properties were measured in three databases that depicted a total of 167 individuals. Face images were used either in their original form, cut to a standard format or superimposed with a mask. Image properties analyzed were: brightness, redness, yellowness, contrast, spectral slope, overall power and relative power in low, medium and high spatial frequencies. Results showed that image properties differed significantly between expressions within each individual image set. Further, specific facial expressions corresponded to patterns of image properties that were consistent across all three databases. In order to experimentally validate our findings, we equalized the luminance histograms and spectral slopes of three images from a given individual who showed two expressions. Participants were significantly slower in matching the expression in an equalized compared to an original image triad. Thus, existing differences in these image properties (i.e., spectral slope, brightness or contrast) facilitate emotion detection in particular sets of face images. Copyright © 2018. Published by Elsevier B.V.

[Bio-Resources and Database for Preemptive Medicine.

PubMed

Saito, Kuniaki

2016-05-01

Establishing a primary defense for the improvement of individual quality of life by epidemiology and various clinical studies applying bio-resources/database analysis is very important. Furthermore, recent studies on understanding the epigenetic regulatory mechanisms of developmental origins of health and diseases are attracting increasing interest. Therefore, the storing of not only bio-fluid (i.e., blood, urine) but also certain tissues (i.e., placenta, cord) is very important for research. The Resource Center for Health Science (RECHS) and Bio-databases Institute of Reproductive and Developmental Medicine (BIRD) have estab- lished Bio-bank and initiated a project based on the development and utilization of bio-resources/database, comprising personal health records (PHR), such as health/medical records including individual records of daily diet and exercise, physically consolidated with bio-resources, taken from the same individuals. These Bio-Resources/Database projects are very important for the establishment of preemptive medicine and un- derstanding the mechanisms of the developmental origins of health and diseases.

Database on Performance of Neutron Irradiated FeCrAl Alloys

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

Field, Kevin G.; Briggs, Samuel A.; Littrell, Ken

The present report summarizes and discusses the database on radiation tolerance for Generation I, Generation II, and commercial FeCrAl alloys. This database has been built upon mechanical testing and microstructural characterization on selected alloys irradiated within the High Flux Isotope Reactor (HFIR) at Oak Ridge National Laboratory (ORNL) up to doses of 13.8 dpa at temperatures ranging from 200°C to 550°C. The structure and performance of these irradiated alloys were characterized using advanced microstructural characterization techniques and mechanical testing. The primary objective of developing this database is to enhance the rapid development of a mechanistic understanding on the radiation tolerancemore » of FeCrAl alloys, thereby enabling informed decisions on the optimization of composition and microstructure of FeCrAl alloys for application as an accident tolerant fuel (ATF) cladding. This report is structured to provide a brief summary of critical results related to the database on radiation tolerance of FeCrAl alloys.« less

Using PHP/MySQL to Manage Potential Mass Impacts

NASA Technical Reports Server (NTRS)

Hager, Benjamin I.

2010-01-01

This paper presents a new application using commercially available software to manage mass properties for spaceflight vehicles. PHP/MySQL(PHP: Hypertext Preprocessor and My Structured Query Language) are a web scripting language and a database language commonly used in concert with each other. They open up new opportunities to develop cutting edge mass properties tools, and in particular, tools for the management of potential mass impacts (threats and opportunities). The paper begins by providing an overview of the functions and capabilities of PHP/MySQL. The focus of this paper is on how PHP/MySQL are being used to develop an advanced "web accessible" database system for identifying and managing mass impacts on NASA's Ares I Upper Stage program, managed by the Marshall Space Flight Center. To fully describe this application, examples of the data, search functions, and views are provided to promote, not only the function, but the security, ease of use, simplicity, and eye-appeal of this new application. This paper concludes with an overview of the other potential mass properties applications and tools that could be developed using PHP/MySQL. The premise behind this paper is that PHP/MySQL are software tools that are easy to use and readily available for the development of cutting edge mass properties applications. These tools are capable of providing "real-time" searching and status of an active database, automated report generation, and other capabilities to streamline and enhance mass properties management application. By using PHP/MySQL, proven existing methods for managing mass properties can be adapted to present-day information technology to accelerate mass properties data gathering, analysis, and reporting, allowing mass property management to keep pace with today's fast-pace design and development processes.

Ureteral Avulsion Associated with Ureteroscopy: Insights from the MAUDE Database.

PubMed

Tanimoto, Ryuta; Cleary, Ryan C; Bagley, Demetrius H; Hubosky, Scott G

2016-03-01

Flexible and semirigid ureteroscopy (URS) are widely performed for the treatment of upper tract calculi and tumors. Ureteral avulsion is a rare, but devastating complication of endoscopic stone removal having multiple possible etiologies. Awareness and avoidance of this rare complication depend on identifying responsible mechanisms. This study examines the situations in which ureteral avulsion occurs as described anonymously in the Manufacturer and User facility Device Experience (MAUDE) database. The MAUDE database was systematically reviewed to account for all reported complications of flexible and semirigid URS. Keywords "ureteroscopy, injury, death, malfunction and other" were entered in the database and medical device reports were reviewed to capture any cases resulting in ureteral avulsion. Attention was paid to the type of ureteroscope involved and the mechanism for avulsion. A total of 104 entries were found detailing the reported complications of flexible and semirigid URS. Ureteral avulsion was clearly noted in six reports with flexible (2) and semirigid ureteroscopes (4). Potential mechanisms included locked deflection of a flexible ureteroscope (1), bunching of the distal bending rubber in a flexible ureteroscope (1), scabbard avulsion (3), and stone basketing (1). Although the incidence of ureteral avulsion cannot truly be determined from this study, some potentially novel mechanisms for this rare complication are observed. This may target future educational efforts to maximize awareness and avoidance of this complication.

Development of a web-based video management and application processing system

NASA Astrophysics Data System (ADS)

Chan, Shermann S.; Wu, Yi; Li, Qing; Zhuang, Yueting

2001-07-01

How to facilitate efficient video manipulation and access in a web-based environment is becoming a popular trend for video applications. In this paper, we present a web-oriented video management and application processing system, based on our previous work on multimedia database and content-based retrieval. In particular, we extend the VideoMAP architecture with specific web-oriented mechanisms, which include: (1) Concurrency control facilities for the editing of video data among different types of users, such as Video Administrator, Video Producer, Video Editor, and Video Query Client; different users are assigned various priority levels for different operations on the database. (2) Versatile video retrieval mechanism which employs a hybrid approach by integrating a query-based (database) mechanism with content- based retrieval (CBR) functions; its specific language (CAROL/ST with CBR) supports spatio-temporal semantics of video objects, and also offers an improved mechanism to describe visual content of videos by content-based analysis method. (3) Query profiling database which records the `histories' of various clients' query activities; such profiles can be used to provide the default query template when a similar query is encountered by the same kind of users. An experimental prototype system is being developed based on the existing VideoMAP prototype system, using Java and VC++ on the PC platform.

AGC 2 Irradiation Creep Strain Data Analysis

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

Windes, William E.; Rohrbaugh, David T.; Swank, W. David

2016-08-01

The Advanced Reactor Technologies Graphite Research and Development Program is conducting an extensive graphite irradiation experiment to provide data for licensing of a high temperature reactor (HTR) design. In past applications, graphite has been used effectively as a structural and moderator material in both research and commercial high temperature gas cooled reactor designs. Nuclear graphite H-451, used previously in the United States for nuclear reactor graphite components, is no longer available. New nuclear graphite grades have been developed and are considered suitable candidates for new HTR reactor designs. To support the design and licensing of HTR core components within amore » commercial reactor, a complete properties database must be developed for these current grades of graphite. Quantitative data on in service material performance are required for the physical, mechanical, and thermal properties of each graphite grade, with a specific emphasis on data accounting for the life limiting effects of irradiation creep on key physical properties of the HTR candidate graphite grades. Further details on the research and development activities and associated rationale required to qualify nuclear grade graphite for use within the HTR are documented in the graphite technology research and development plan.« less

Structural study of piracetam polymorphs and cocrystals: crystallography redetermination and quantum mechanics calculations.

PubMed

Tilborg, Anaëlle; Jacquemin, Denis; Norberg, Bernadette; Perpète, Eric; Michaux, Catherine; Wouters, Johan

2011-12-01

Pharmaceutical compounds are mostly developed as solid dosage forms containing a single-crystal form. It means that the selection of a particular crystal state for a given molecule is an important step for further clinical outlooks. In this context, piracetam, a pharmaceutical molecule known since the sixties for its nootropic properties, is considered in the present work. This molecule is analyzed using several experimental and theoretical approaches. First, the conformational space of the molecule has been systematically explored by performing a quantum mechanics scan of the two most relevant dihedral angles of the lateral chain. The predicted stable conformations have been compared to all the reported experimental geometries retrieved from the Cambridge Structural Database (CSD) covering polymorphs and cocrystals structures. In parallel, different batches of powders have been recrystallized. Under specific conditions, single crystals of polymorph (III) of piracetam have been obtained, an outcome confirmed by crystallographic analysis. © 2011 International Union of Crystallography. Printed in Singapore – all rights reserved.

Detection of material property errors in handbooks and databases using artificial neural networks with hidden correlations

NASA Astrophysics Data System (ADS)

Zhang, Y. M.; Evans, J. R. G.; Yang, S. F.

2010-11-01

The authors have discovered a systematic, intelligent and potentially automatic method to detect errors in handbooks and stop their transmission using unrecognised relationships between materials properties. The scientific community relies on the veracity of scientific data in handbooks and databases, some of which have a long pedigree covering several decades. Although various outlier-detection procedures are employed to detect and, where appropriate, remove contaminated data, errors, which had not been discovered by established methods, were easily detected by our artificial neural network in tables of properties of the elements. We started using neural networks to discover unrecognised relationships between materials properties and quickly found that they were very good at finding inconsistencies in groups of data. They reveal variations from 10 to 900% in tables of property data for the elements and point out those that are most probably correct. Compared with the statistical method adopted by Ashby and co-workers [Proc. R. Soc. Lond. Ser. A 454 (1998) p. 1301, 1323], this method locates more inconsistencies and could be embedded in database software for automatic self-checking. We anticipate that our suggestion will be a starting point to deal with this basic problem that affects researchers in every field. The authors believe it may eventually moderate the current expectation that data field error rates will persist at between 1 and 5%.

The Native Plant Propagation Protocol Database: 16 years of sharing information

Treesearch

R. Kasten Dumroese; Thomas D. Landis

2016-01-01

The Native Plant Propagation Protocol Database was launched in 2001 to provide an online mechanism for sharing information about growing native plants. It relies on plant propagators to upload their protocols (detailed directions for growing particular native plants) so that others may benefit from their experience. Currently the database has nearly 3000 protocols and...

Enhancing SAMOS Data Access in DOMS via a Neo4j Property Graph Database.

NASA Astrophysics Data System (ADS)

Stallard, A. P.; Smith, S. R.; Elya, J. L.

2016-12-01

The Shipboard Automated Meteorological and Oceanographic System (SAMOS) initiative provides routine access to high-quality marine meteorological and near-surface oceanographic observations from research vessels. The Distributed Oceanographic Match-Up Service (DOMS) under development is a centralized service that allows researchers to easily match in situ and satellite oceanographic data from distributed sources to facilitate satellite calibration, validation, and retrieval algorithm development. The service currently uses Apache Solr as a backend search engine on each node in the distributed network. While Solr is a high-performance solution that facilitates creation and maintenance of indexed data, it is limited in the sense that its schema is fixed. The property graph model escapes this limitation by creating relationships between data objects. The authors will present the development of the SAMOS Neo4j property graph database including new search possibilities that take advantage of the property graph model, performance comparisons with Apache Solr, and a vision for graph databases as a storage tool for oceanographic data. The integration of the SAMOS Neo4j graph into DOMS will also be described. Currently, Neo4j contains spatial and temporal records from SAMOS which are modeled into a time tree and r-tree using Graph Aware and Spatial plugin tools for Neo4j. These extensions provide callable Java procedures within CYPHER (Neo4j's query language) that generate in-graph structures. Once generated, these structures can be queried using procedures from these libraries, or directly via CYPHER statements. Neo4j excels at performing relationship and path-based queries, which challenge relational-SQL databases because they require memory intensive joins due to the limitation of their design. Consider a user who wants to find records over several years, but only for specific months. If a traditional database only stores timestamps, this type of query would be complex and likely prohibitively slow. Using the time tree model, one can specify a path from the root to the data which restricts resolutions to certain timeframes (e.g., months). This query can be executed without joins, unions, or other compute-intensive operations, putting Neo4j at a computational advantage to the SQL database alternative.

41 CFR 105-60.103-1 - Availability of records.

Code of Federal Regulations, 2014 CFR

2014-01-01

... 41 Public Contracts and Property Management 3 2014-01-01 2014-01-01 false Availability of records. 105-60.103-1 Section 105-60.103-1 Public Contracts and Property Management Federal Property Management... perform minor reprogramming to extract records from a database or system when doing so will not...

Effects of long-term soil and crop management on soil hydraulic properties for claypan soils

USDA-ARS?s Scientific Manuscript database

Regional and national soil maps have been developed along with associated soil property databases to assist users in making land management decisions based on soil characteristics. These soil properties include average values from soil characterization for each soil series. In reality, these propert...

Discovering More Chemical Concepts from 3D Chemical Information Searches of Crystal Structure Databases

ERIC Educational Resources Information Center

Rzepa, Henry S.

2016-01-01

Three new examples are presented illustrating three-dimensional chemical information searches of the Cambridge structure database (CSD) from which basic core concepts in organic and inorganic chemistry emerge. These include connecting the regiochemistry of aromatic electrophilic substitution with the geometrical properties of hydrogen bonding…

High Throughput Experimental Materials Database

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

Zakutayev, Andriy; Perkins, John; Schwarting, Marcus

The mission of the High Throughput Experimental Materials Database (HTEM DB) is to enable discovery of new materials with useful properties by releasing large amounts of high-quality experimental data to public. The HTEM DB contains information about materials obtained from high-throughput experiments at the National Renewable Energy Laboratory (NREL).

NIST Libraries of Peptide Fragmentation Mass Spectra Databass

National Institute of Standards and Technology Data Gateway

SRD 4 NIST Libraries of Peptide Fragmentation Mass Spectra Databass (PC database for purchase)   Interactive computer program for predicting thermodynamic and transport properties of pure fluids and fluid mixtures containing up to 20 components. The components are selected from a database of 196 components, mostly hydrocarbons.

Status Report for Remediation Decision Support Project, Task 1, Activity 1.B – Physical and Hydraulic Properties Database and Interpretation

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

Rockhold, Mark L.

2008-09-26

The objective of Activity 1.B of the Remediation Decision Support (RDS) Project is to compile all available physical and hydraulic property data for sediments from the Hanford Site, to port these data into the Hanford Environmental Information System (HEIS), and to make the data web-accessible to anyone on the Hanford Local Area Network via the so-called Virtual Library. In past years efforts were made by RDS project staff to compile all available physical and hydraulic property data for Hanford sediments and to transfer these data into SoilVision{reg_sign}, a commercial geotechnical software package designed for storing, analyzing, and manipulating soils data.more » Although SoilVision{reg_sign} has proven to be useful, its access and use restrictions have been recognized as a limitation to the effective use of the physical and hydraulic property databases by the broader group of potential users involved in Hanford waste site issues. In order to make these data more widely available and useable, a decision was made to port them to HEIS and to make them web-accessible via a Virtual Library module. In FY08 the objectives of Activity 1.B of the RDS Project were to: (1) ensure traceability and defensibility of all physical and hydraulic property data currently residing in the SoilVision{reg_sign} database maintained by PNNL, (2) transfer the physical and hydraulic property data from the Microsoft Access database files used by SoilVision{reg_sign} into HEIS, which has most recently been maintained by Fluor-Hanford, Inc., (3) develop a Virtual Library module for accessing these data from HEIS, and (4) write a User's Manual for the Virtual Library module. The development of the Virtual Library module was to be performed by a third party under subcontract to Fluor. The intent of these activities is to make the available physical and hydraulic property data more readily accessible and useable by technical staff and operable unit managers involved in waste site assessments and remedial action decisions for Hanford. This status report describes the history of this development effort and progress to date.« less

Planetary Surface Properties, Cratering Physics, and the Volcanic History of Mars from a New Global Martian Crater Database

NASA Astrophysics Data System (ADS)

Robbins, Stuart James

Impact craters are arguably the primary exogenic planetary process contributing to the surface evolution of solid bodies in the solar system. Craters appear across the entire surface of Mars, and they are vital to understanding its crustal properties as well as surface ages and modification events. They allow inferences into the ancient climate and hydrologic history, and they add a key data point for the understanding of impact physics. Previously available databases of Mars impact craters were created from now antiquated datasets, automated algorithms with biases and inaccuracies, were limited in scope, and/or complete only to multikilometer diameters. This work presents a new global database for Mars that contains 378,540 craters statistically complete for diameters D ≳ 1 km. This detailed database includes location and size, ejecta morphology and morphometry, interior morphology and degradation state, and whether the crater is a secondary impact. This database allowed exploration of global crater type distributions, depth, and morphologies in unprecedented detail that were used to re-examine basic crater scaling laws for the planet. The inclusion of hundreds of thousands of small, approximately kilometer-sized impacts facilitated a detailed study of the properties of nearby fields of secondary craters in relation to their primary crater. It also allowed the discovery of vast distant clusters of secondary craters over 5000 km from their primary crater, Lyot. Finally, significantly smaller craters were used to age-date volcanic calderas on the planet to re-construct the timeline of the last primary eruption events from 20 of the major Martian volcanoes.

Database of Novel and Emerging Adsorbent Materials

National Institute of Standards and Technology Data Gateway

SRD 205 NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials (Web, free access)   The NIST/ARPA-E Database of Novel and Emerging Adsorbent Materials is a free, web-based catalog of adsorbent materials and measured adsorption properties of numerous materials obtained from article entries from the scientific literature. Search fields for the database include adsorbent material, adsorbate gas, experimental conditions (pressure, temperature), and bibliographic information (author, title, journal), and results from queries are provided as a list of articles matching the search parameters. The database also contains adsorption isotherms digitized from the cataloged articles, which can be compared visually online in the web application or exported for offline analysis.

Review of research on the mechanical properties of the human tooth

PubMed Central

Zhang, Ya-Rong; Du, Wen; Zhou, Xue-Dong; Yu, Hai-Yang

2014-01-01

‘Bronze teeth' reflect the mechanical properties of natural teeth to a certain extent. Their mechanical properties resemble those of a tough metal, and the gradient of these properties lies in the direction from outside to inside. These attributes confer human teeth with effective mastication ability. Understanding the various mechanical properties of human teeth and dental materials is the basis for the development of restorative materials. In this study, the elastic properties, dynamic mechanical properties (visco-elasticity) and fracture mechanical properties of enamel and dentin were reviewed to provide a more thorough understanding of the mechanical properties of human teeth. PMID:24743065

[Study on characteristics of pharmacological effects of traditional Chinese medicines distributing along stomach meridian based on medicinal property combination].

PubMed

Zhang, Bai-Xia; Gu, Hao; Guo, Hong-Ling; Ma, Li; Wang, Yun; Qiao, Yan-Jiang

2014-07-01

At present, studies on traditional Chinese medicine (TCM) properties are mostly restricted to a single or two kinds of medicinal properties, but deviated from the holism of the theoretical system of TCMs. In this paper, the characteristics of pharmacological effects of different property combinations of TCMs distributing in the stomach meridian were take as the study objective. The data of properties of TCMs distributing in the stomach meridian was collected from the Pharmacopoeia of the People's Republic of China (2005). The data of pharmacological effects of TCMs distributing in the stomach meridian was collected from all of literatures recorded in Chinese Journal Full-text Database (CNKI) since 1980, Science of Chinese Materia Medica (Yan Zhenghua, People's Medical Publishing House, 2006) and Clinical Science of Chinese Materia Medica (Gao Xuemin, Zhong Gansheng, Hebei Science and Technology Publishing House, 2005). The corresponding pharmacological effects of property combinations of TCMs distributing in the stomach meridian was mined by the method of association rules. The results of the association rules were consistent with the empirical knowledge, and showed that different medicinal property combinations had respective pharmacological characteristics, including differences and similarities in pharmacological effects of different medicinal property combinations. Medicinal property combinations with identical four properties or five tastes showed similar pharmacological effects; whereas medicinal property combinations with different four properties or five tastes showed differentiated pharmacological effects. However, medicinal property combinations with different four properties or five tastes could also show similar pharmacological effects. In this study, the medicinal property theory and the pharmacological effects of TCMs were combined to reveal the main characteristics and regularity of pharmacological effects of TCMs distributing in the stomach meridian and provide a new way of thinking and method for revealing the mechanism action of TCMs distributing in the stomach meridian and discovering the pharmacological effects of TCMs distributing in the stomach meridian.

MalaCards: an integrated compendium for diseases and their annotation

PubMed Central

Rappaport, Noa; Nativ, Noam; Stelzer, Gil; Twik, Michal; Guan-Golan, Yaron; Iny Stein, Tsippi; Bahir, Iris; Belinky, Frida; Morrey, C. Paul; Safran, Marilyn; Lancet, Doron

2013-01-01

Comprehensive disease classification, integration and annotation are crucial for biomedical discovery. At present, disease compilation is incomplete, heterogeneous and often lacking systematic inquiry mechanisms. We introduce MalaCards, an integrated database of human maladies and their annotations, modeled on the architecture and strategy of the GeneCards database of human genes. MalaCards mines and merges 44 data sources to generate a computerized card for each of 16 919 human diseases. Each MalaCard contains disease-specific prioritized annotations, as well as inter-disease connections, empowered by the GeneCards relational database, its searches and GeneDecks set analyses. First, we generate a disease list from 15 ranked sources, using disease-name unification heuristics. Next, we use four schemes to populate MalaCards sections: (i) directly interrogating disease resources, to establish integrated disease names, synonyms, summaries, drugs/therapeutics, clinical features, genetic tests and anatomical context; (ii) searching GeneCards for related publications, and for associated genes with corresponding relevance scores; (iii) analyzing disease-associated gene sets in GeneDecks to yield affiliated pathways, phenotypes, compounds and GO terms, sorted by a composite relevance score and presented with GeneCards links; and (iv) searching within MalaCards itself, e.g. for additional related diseases and anatomical context. The latter forms the basis for the construction of a disease network, based on shared MalaCards annotations, embodying associations based on etiology, clinical features and clinical conditions. This broadly disposed network has a power-law degree distribution, suggesting that this might be an inherent property of such networks. Work in progress includes hierarchical malady classification, ontological mapping and disease set analyses, striving to make MalaCards an even more effective tool for biomedical research. Database URL: http://www.malacards.org/ PMID:23584832

Effects of Increased Loading on In Vivo Tendon Properties: A Systematic Review

PubMed Central

WIESINGER, HANS-PETER; KÖSTERS, ALEXANDER; MÜLLER, ERICH; SEYNNES, OLIVIER R.

2015-01-01

ABSTRACT Introduction In vivo measurements have been used in the past two decades to investigate the effects of increased loading on tendon properties, yet the current understanding of tendon macroscopic changes to training is rather fragmented, limited to reports of tendon stiffening, supported by changes in material properties and/or tendon hypertrophy. The main aim of this review was to analyze the existing literature to gain further insights into tendon adaptations by extracting patterns of dose-response and time-course. Methods PubMed/Medline, SPORTDiscus, and Google Scholar databases were searched for studies examining the effect of training on material, mechanical, and morphological properties via longitudinal or cross-sectional designs. Results Thirty-five of 6440 peer-reviewed articles met the inclusion criteria. The key findings were i) the confirmation of a nearly systematic adaptation of tendon tissue to training, ii) the important variability in the observed changes in tendon properties between and within studies, and iii) the absence of a consistent incremental pattern regarding the dose-response or the time-course relation of tendon adaptation within the first months of training. However, long-term (years) training was associated with a larger tendon cross-sectional area, without any evidence of differences in material properties. Our analysis also highlighted several gaps in the existing literature, which may be addressed in future research. Conclusions In line with some cross-species observations about tendon design, tendon cross-sectional area allegedly constitutes the ultimate adjusting parameter to increased loading. We propose here a theoretical model placing tendon hypertrophy and adjustments in material properties as parts of the same adaptive continuum. PMID:25563908

The Genomes On Line Database (GOLD) v.2: a monitor of genome projects worldwide

PubMed Central

Liolios, Konstantinos; Tavernarakis, Nektarios; Hugenholtz, Philip; Kyrpides, Nikos C.

2006-01-01

The Genomes On Line Database (GOLD) is a web resource for comprehensive access to information regarding complete and ongoing genome sequencing projects worldwide. The database currently incorporates information on over 1500 sequencing projects, of which 294 have been completed and the data deposited in the public databases. GOLD v.2 has been expanded to provide information related to organism properties such as phenotype, ecotype and disease. Furthermore, project relevance and availability information is now included. GOLD is available at . It is also mirrored at the Institute of Molecular Biology and Biotechnology, Crete, Greece at PMID:16381880

What Adherence Measures Should Be Used in Trials of Home-Based Rehabilitation Interventions? A Systematic Review of the Validity, Reliability, and Acceptability of Measures.

PubMed

Frost, Rachael; Levati, Sara; McClurg, Doreen; Brady, Marian; Williams, Brian

2017-06-01

To systematically review methods for measuring adherence used in home-based rehabilitation trials and to evaluate their validity, reliability, and acceptability. In phase 1 we searched the CENTRAL database, NHS Economic Evaluation Database, and Health Technology Assessment Database (January 2000 to April 2013) to identify adherence measures used in randomized controlled trials of allied health professional home-based rehabilitation interventions. In phase 2 we searched the databases of MEDLINE, Embase, CINAHL, Allied and Complementary Medicine Database, PsycINFO, CENTRAL, ProQuest Nursing and Allied Health, and Web of Science (inception to April 2015) for measurement property assessments for each measure. Studies assessing the validity, reliability, or acceptability of adherence measures. Two reviewers independently extracted data on participant and measure characteristics, measurement properties evaluated, evaluation methods, and outcome statistics and assessed study quality using the COnsensus-based Standards for the selection of health Measurement INstruments checklist. In phase 1 we included 8 adherence measures (56 trials). In phase 2, from the 222 measurement property assessments identified in 109 studies, 22 high-quality measurement property assessments were narratively synthesized. Low-quality studies were used as supporting data. StepWatch Activity Monitor validly and acceptably measured short-term step count adherence. The Problematic Experiences of Therapy Scale validly and reliably assessed adherence to vestibular rehabilitation exercises. Adherence diaries had moderately high validity and acceptability across limited populations. The Borg 6 to 20 scale, Bassett and Prapavessis scale, and Yamax CW series had insufficient validity. Low-quality evidence supported use of the Joint Protection Behaviour Assessment. Polar A1 series heart monitors were considered acceptable by 1 study. Current rehabilitation adherence measures are limited. Some possess promising validity and acceptability for certain parameters of adherence, situations, and populations and should be used in these situations. Rigorous evaluation of adherence measures in a broader range of populations is needed. Copyright © 2016 American Congress of Rehabilitation Medicine. Published by Elsevier Inc. All rights reserved.

GreekLex 2: A comprehensive lexical database with part-of-speech, syllabic, phonological, and stress information

PubMed Central

van Heuven, Walter J. B.; Pitchford, Nicola J.; Ledgeway, Timothy

2017-01-01

Databases containing lexical properties on any given orthography are crucial for psycholinguistic research. In the last ten years, a number of lexical databases have been developed for Greek. However, these lack important part-of-speech information. Furthermore, the need for alternative procedures for calculating syllabic measurements and stress information, as well as combination of several metrics to investigate linguistic properties of the Greek language are highlighted. To address these issues, we present a new extensive lexical database of Modern Greek (GreekLex 2) with part-of-speech information for each word and accurate syllabification and orthographic information predictive of stress, as well as several measurements of word similarity and phonetic information. The addition of detailed statistical information about Greek part-of-speech, syllabification, and stress neighbourhood allowed novel analyses of stress distribution within different grammatical categories and syllabic lengths to be carried out. Results showed that the statistical preponderance of stress position on the pre-final syllable that is reported for Greek language is dependent upon grammatical category. Additionally, analyses showed that a proportion higher than 90% of the tokens in the database would be stressed correctly solely by relying on stress neighbourhood information. The database and the scripts for orthographic and phonological syllabification as well as phonetic transcription are available at http://www.psychology.nottingham.ac.uk/greeklex/. PMID:28231303

An effective model for store and retrieve big health data in cloud computing.

PubMed

Goli-Malekabadi, Zohreh; Sargolzaei-Javan, Morteza; Akbari, Mohammad Kazem

2016-08-01

The volume of healthcare data including different and variable text types, sounds, and images is increasing day to day. Therefore, the storage and processing of these data is a necessary and challenging issue. Generally, relational databases are used for storing health data which are not able to handle the massive and diverse nature of them. This study aimed at presenting the model based on NoSQL databases for the storage of healthcare data. Despite different types of NoSQL databases, document-based DBs were selected by a survey on the nature of health data. The presented model was implemented in the Cloud environment for accessing to the distribution properties. Then, the data were distributed on the database by applying the Shard property. The efficiency of the model was evaluated in comparison with the previous data model, Relational Database, considering query time, data preparation, flexibility, and extensibility parameters. The results showed that the presented model approximately performed the same as SQL Server for "read" query while it acted more efficiently than SQL Server for "write" query. Also, the performance of the presented model was better than SQL Server in the case of flexibility, data preparation and extensibility. Based on these observations, the proposed model was more effective than Relational Databases for handling health data. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

GreekLex 2: A comprehensive lexical database with part-of-speech, syllabic, phonological, and stress information.

PubMed

Kyparissiadis, Antonios; van Heuven, Walter J B; Pitchford, Nicola J; Ledgeway, Timothy

2017-01-01

Databases containing lexical properties on any given orthography are crucial for psycholinguistic research. In the last ten years, a number of lexical databases have been developed for Greek. However, these lack important part-of-speech information. Furthermore, the need for alternative procedures for calculating syllabic measurements and stress information, as well as combination of several metrics to investigate linguistic properties of the Greek language are highlighted. To address these issues, we present a new extensive lexical database of Modern Greek (GreekLex 2) with part-of-speech information for each word and accurate syllabification and orthographic information predictive of stress, as well as several measurements of word similarity and phonetic information. The addition of detailed statistical information about Greek part-of-speech, syllabification, and stress neighbourhood allowed novel analyses of stress distribution within different grammatical categories and syllabic lengths to be carried out. Results showed that the statistical preponderance of stress position on the pre-final syllable that is reported for Greek language is dependent upon grammatical category. Additionally, analyses showed that a proportion higher than 90% of the tokens in the database would be stressed correctly solely by relying on stress neighbourhood information. The database and the scripts for orthographic and phonological syllabification as well as phonetic transcription are available at http://www.psychology.nottingham.ac.uk/greeklex/.

Identification of Bearing Failure Using Signal Vibrations

NASA Astrophysics Data System (ADS)

Yani, Irsyadi; Resti, Yulia; Burlian, Firmansyah

2018-04-01

Vibration analysis can be used to identify damage to mechanical systems such as journal bearings. Identification of failure can be done by observing the resulting vibration spectrum by measuring the vibration signal occurring in a mechanical system Bearing is one of the engine elements commonly used in mechanical systems. The main purpose of this research is to monitor the bearing condition and to identify bearing failure on a mechanical system by observing the resulting vibration. Data collection techniques based on recordings of sound caused by the vibration of the mechanical system were used in this study, then created a database system based bearing failure due to vibration signal recording sounds on a mechanical system The next step is to group the bearing damage by type based on the databases obtained. The results show the percentage of success in identifying bearing damage is 98 %.

Antifertility Effect of Bougainvillea spectabilis or Paper Flower

PubMed Central

Ghogar, Anisa; Jiraungkoorskul, Wannee

2017-01-01

Bougainvillea spectabilis (Family: Nyctaginaceae), commonly referred to as Great Bougainvillea or Paper Flower, is one of the traditional medicinal plants with potential antifertility activity. The aqueous extract and decoction of this plant have been used as fertility control among the tribal people in many countries. Furthermore, it has been shown to possess anticancer, antidiabetic, antihepatotoxic, anti-inflammatory, antihyperlipidemic, antimicrobial, antioxidant, and antiulcer properties. Its phytoconstituents such as alkaloids, essential oils, flavonoids, glycosides, oxalates, phenolics, phlobotannins, quinones, saponins, tannins, and terpenoids were reported as the basis of its efficacious therapeutic properties. The other important constituents which contribute to the remedial properties are bougainvinones, pinitol, quercetagetin, quercetin, and terpinolene. Published information on the antifertility property of B. spectabilis was gathered by the use of different database platforms including Google Scholar, ScienceDirect, PubMed, SciFinder, and Scopus. These database platforms were used to provide an up-to-date review on its importance. PMID:28503048

Internet calculations of thermodynamic properties of substances: Some problems and results

NASA Astrophysics Data System (ADS)

Ustyuzhanin, E. E.; Ochkov, V. F.; Shishakov, V. V.; Rykov, S. V.

2016-11-01

Internet resources (databases, web sites and others) on thermodynamic properties R = (p,T,s,...) of technologically important substances are analyzed. These databases put online by a number of organizations (the Joint Institute for High Temperatures of the Russian Academy of Sciences, Standartinform, the National Institute of Standards and Technology USA, the Institute for Thermal Physics of the Siberian Branch of the Russian Academy of Sciences, etc) are investigated. Software codes are elaborated in the work in forms of “client functions” those have such characteristics: (i) they are placed on a remote server, (ii) they serve as open interactive Internet resources. A client can use them for a calculation of R properties of substances. “Complex client functions” are considered. They are focused on sharing (i) software codes elaborated to design of power plants (PP) and (ii) client functions those can calculate R properties of working fluids for PP.

Redundancy control in pathway databases (ReCiPa): an application for improving gene-set enrichment analysis in Omics studies and "Big data" biology.

PubMed

Vivar, Juan C; Pemu, Priscilla; McPherson, Ruth; Ghosh, Sujoy

2013-08-01

Abstract Unparalleled technological advances have fueled an explosive growth in the scope and scale of biological data and have propelled life sciences into the realm of "Big Data" that cannot be managed or analyzed by conventional approaches. Big Data in the life sciences are driven primarily via a diverse collection of 'omics'-based technologies, including genomics, proteomics, metabolomics, transcriptomics, metagenomics, and lipidomics. Gene-set enrichment analysis is a powerful approach for interrogating large 'omics' datasets, leading to the identification of biological mechanisms associated with observed outcomes. While several factors influence the results from such analysis, the impact from the contents of pathway databases is often under-appreciated. Pathway databases often contain variously named pathways that overlap with one another to varying degrees. Ignoring such redundancies during pathway analysis can lead to the designation of several pathways as being significant due to high content-similarity, rather than truly independent biological mechanisms. Statistically, such dependencies also result in correlated p values and overdispersion, leading to biased results. We investigated the level of redundancies in multiple pathway databases and observed large discrepancies in the nature and extent of pathway overlap. This prompted us to develop the application, ReCiPa (Redundancy Control in Pathway Databases), to control redundancies in pathway databases based on user-defined thresholds. Analysis of genomic and genetic datasets, using ReCiPa-generated overlap-controlled versions of KEGG and Reactome pathways, led to a reduction in redundancy among the top-scoring gene-sets and allowed for the inclusion of additional gene-sets representing possibly novel biological mechanisms. Using obesity as an example, bioinformatic analysis further demonstrated that gene-sets identified from overlap-controlled pathway databases show stronger evidence of prior association to obesity compared to pathways identified from the original databases.

The ADAMS interactive interpreter

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

Rietscha, E.R.

1990-12-17

The ADAMS (Advanced DAta Management System) project is exploring next generation database technology. Database management does not follow the usual programming paradigm. Instead, the database dictionary provides an additional name space environment that should be interactively created and tested before writing application code. This document describes the implementation and operation of the ADAMS Interpreter, an interactive interface to the ADAMS data dictionary and runtime system. The Interpreter executes individual statements of the ADAMS Interface Language, providing a fast, interactive mechanism to define and access persistent databases. 5 refs.

Intrusion Detection in Database Systems

NASA Astrophysics Data System (ADS)

Javidi, Mohammad M.; Sohrabi, Mina; Rafsanjani, Marjan Kuchaki

Data represent today a valuable asset for organizations and companies and must be protected. Ensuring the security and privacy of data assets is a crucial and very difficult problem in our modern networked world. Despite the necessity of protecting information stored in database systems (DBS), existing security models are insufficient to prevent misuse, especially insider abuse by legitimate users. One mechanism to safeguard the information in these databases is to use an intrusion detection system (IDS). The purpose of Intrusion detection in database systems is to detect transactions that access data without permission. In this paper several database Intrusion detection approaches are evaluated.

A Framework for Cloudy Model Optimization and Database Storage

NASA Astrophysics Data System (ADS)

Calvén, Emilia; Helton, Andrew; Sankrit, Ravi

2018-01-01

We present a framework for producing Cloudy photoionization models of the nebular emission from novae ejecta and storing a subset of the results in SQL database format for later usage. The database can be searched for models best fitting observed spectral line ratios. Additionally, the framework includes an optimization feature that can be used in tandem with the database to search for and improve on models by creating new Cloudy models while, varying the parameters. The database search and optimization can be used to explore the structures of nebulae by deriving their properties from the best-fit models. The goal is to provide the community with a large database of Cloudy photoionization models, generated from parameters reflecting conditions within novae ejecta, that can be easily fitted to observed spectral lines; either by directly accessing the database using the framework code or by usage of a website specifically made for this purpose.

Monitoring, Analyzing and Assessing Radiation Belt Loss and Energization

NASA Astrophysics Data System (ADS)

Daglis, I. A.; Bourdarie, S.; Khotyaintsev, Y.; Santolik, O.; Horne, R.; Mann, I.; Turner, D.; Anastasiadis, A.; Angelopoulos, V.; Balasis, G.; Chatzichristou, E.; Cully, C.; Georgiou, M.; Glauert, S.; Grison, B.; Kolmasova, I.; Lazaro, D.; Macusova, E.; Maget, V.; Papadimitriou, C.; Ropokis, G.; Sandberg, I.; Usanova, M.

2012-09-01

We present the concept, objectives and expected impact of the MAARBLE (Monitoring, Analyzing and Assessing Radiation Belt Loss and Energization) project, which is being implemented by a consortium of seven institutions (five European, one Canadian and one US) with support from the European Community's Seventh Framework Programme. The MAARBLE project employs multi-spacecraft monitoring of the geospace environment, complemented by ground-based monitoring, in order to analyze and assess the physical mechanisms leading to radiation belt particle energization and loss. Particular attention is paid to the role of ULF/VLF waves. A database containing properties of the waves is being created and will be made available to the scientific community. Based on the wave database, a statistical model of the wave activity dependent on the level of geomagnetic activity, solar wind forcing, and magnetospheric region will be developed. Furthermore, we will incorporate multi-spacecraft particle measurements into data assimilation tools, aiming at a new understanding of the causal relationships between ULF/VLF waves and radiation belt dynamics. Data assimilation techniques have been proven to be a valuable tool in the field of radiation belts, able to guide 'the best' estimate of the state of a complex system.

Characterization testing of MEASAT GaAs/Ge solar cell assemblies

NASA Technical Reports Server (NTRS)

Brown, Mike R.; Garcia, Curtis A.; Goodelle, George S.; Powe, Joseph S.; Schwartz, Joel A.

1996-01-01

The first commercial communications satellite with gallium-arsenide on germanium (GaAs/Ge) solar arrays is scheduled for launch in December 1995. The spacecraft, named MEASAT, was built by Hughes Space and Communications Company. The solar cell assemblies consisted of large area GaAs/Ge cells supplied by Spectrolab Inc. with infrared reflecting (IRR) coverglass supplied by Pilkington Space Technology. A comprehensive characterization program was performed on the GaAs/Ge solar cell assemblies used on the MEASAT array. This program served two functions; first to establish the database needed to accurately predict on-orbit performance under a variety of conditions; and second, to demonstrate the ability of the solar cell assemblies to withstand all mission environments while still providing the required power at end-of-life. Characterization testing included measurement of electrical performance parameters as a function of radiation exposure, temperature, and angle of incident light; reverse bias stability; optical and thermal properties; mechanical strength tests, panel fabrication, humidity and thermal cycling environmental tests. The results provided a complete database enabling the design of the MEASAT solar array, and demonstrated that the GaAs/Ge cells meet the spacecraft requirements at end-of-life.

Characterization testing of MEASAT GaAs/Ge solar cell assemblies

NASA Technical Reports Server (NTRS)

Brown, Mike R.; Garcia, Curtis A.; Goodelle, George S.; Powe, Joseph S.; Schwartz, Joel A.

1995-01-01

The first commercial communications satellite with gallium-arsenide on germanium (GaAs/Ge) solar arrays is scheduled for launch in December 1995. The spacecraft, named MEASAT, was built by hughes Space and Telecommunications company for Binariang Satellite Systems of Malaysia. The solar cell assemblies consisted of large area GaAs/Ge cells supplied by Spectrolab Inc. with infrared reflecting (IRR) coverglass supplied by Pilkington Space Technology. A comprehensive characterization program was performed on the GaAs/Ge solar cell assemblies used on the MEASAT array. This program served two functions; first to establish the database needed to accurately predict on-orbit performance under a variety of conditions; and second, to demonstrate the ability of the solar cell assemblies to withstand all mission environments while still providing the required power at end-of-life. characterization testing included measurement of electrical performance parameters as a function of radiation exposure, temperature, and angle of incident light; reverse bias stability; optical and thermal properties; mechanical strength tests, panel fabrication, humidity and thermal cycling environmental tests. The results provided a complete database enabling the design of the MEASAT solar array, and demonstrated that the GaAs/Ge cells meet the spacecraft requirements at end-of-life.

[Design and fabrication of the custom-made titanium condyle by selective laser melting technology].

PubMed

Chen, Jianyu; Luo, Chongdai; Zhang, Chunyu; Zhang, Gong; Qiu, Weiqian; Zhang, Zhiguang

2014-10-01

To design and fabricate the custom-made titanium mandibular condyle by the reverse engineering technology combined with selective laser melting (SLM) technology and to explore the mechanical properties of the SLM-processed samples and the application of the custom-made condyle in the temporomandibular joint (TMJ) reconstruction. The three-dimensional model of the mandibular condyle was obtained from a series of CT databases. The custom-made condyle model was designed by the reverse engineering software. The mandibular condyle was made of titanium powder with a particle size of 20-65 µm as the basic material and the processing was carried out in an argon atmosphere by the SLM machine. The yield strength, ultimate strength, bending strength, hardness, surface morphology and roughness were tested and analyzed. The finite element analysis (FEA) was used to analyze the stress distribution. The complex geometry and the surface of the custom-made condyle can be reproduced precisely by the SLM. The mechanical results showed that the yield strength, ultimate strength, bending strength and hardness were (559±14) MPa, (659±32) MPa, (1 067±42) MPa, and (212±4)HV, respectively. The surface roughness was reduced by sandblast treatment. The custom-made titanium condyle can be fabricated by SLM technology which is time-saving and highly digitized. The mechanical properties of the SLM sample can meet the requirements of surgical implant material in the clinic. The possibility of fabricating custom-made titanium mandibular condyle combined with the FEA opens new interesting perspectives for TMJ reconstruction.

Sting_RDB: a relational database of structural parameters for protein analysis with support for data warehousing and data mining.

PubMed

Oliveira, S R M; Almeida, G V; Souza, K R R; Rodrigues, D N; Kuser-Falcão, P R; Yamagishi, M E B; Santos, E H; Vieira, F D; Jardine, J G; Neshich, G

2007-10-05

An effective strategy for managing protein databases is to provide mechanisms to transform raw data into consistent, accurate and reliable information. Such mechanisms will greatly reduce operational inefficiencies and improve one's ability to better handle scientific objectives and interpret the research results. To achieve this challenging goal for the STING project, we introduce Sting_RDB, a relational database of structural parameters for protein analysis with support for data warehousing and data mining. In this article, we highlight the main features of Sting_RDB and show how a user can explore it for efficient and biologically relevant queries. Considering its importance for molecular biologists, effort has been made to advance Sting_RDB toward data quality assessment. To the best of our knowledge, Sting_RDB is one of the most comprehensive data repositories for protein analysis, now also capable of providing its users with a data quality indicator. This paper differs from our previous study in many aspects. First, we introduce Sting_RDB, a relational database with mechanisms for efficient and relevant queries using SQL. Sting_rdb evolved from the earlier, text (flat file)-based database, in which data consistency and integrity was not guaranteed. Second, we provide support for data warehousing and mining. Third, the data quality indicator was introduced. Finally and probably most importantly, complex queries that could not be posed on a text-based database, are now easily implemented. Further details are accessible at the Sting_RDB demo web page: http://www.cbi.cnptia.embrapa.br/StingRDB.

The Rules of the Game: Properties of a Database of Expository Language Samples

ERIC Educational Resources Information Center

Heilmann, John; Malone, Thomas O.

2014-01-01

Purpose: The authors created a database of expository oral language samples with the aims of describing the nature of students' expository discourse and providing benchmark data for typically developing preteen and teenage students. Method: Using a favorite game or sport protocol, language samples were collected from 235 typically developing…

A database for reproducible manipulation research: CapriDB - Capture, Print, Innovate.

PubMed

Pokorny, Florian T; Bekiroglu, Yasemin; Pauwels, Karl; Butepage, Judith; Scherer, Clara; Kragic, Danica

2017-04-01

We present a novel approach and database which combines the inexpensive generation of 3D object models via monocular or RGB-D camera images with 3D printing and a state of the art object tracking algorithm. Unlike recent efforts towards the creation of 3D object databases for robotics, our approach does not require expensive and controlled 3D scanning setups and aims to enable anyone with a camera to scan, print and track complex objects for manipulation research. The proposed approach results in detailed textured mesh models whose 3D printed replicas provide close approximations of the originals. A key motivation for utilizing 3D printed objects is the ability to precisely control and vary object properties such as the size, material properties and mass distribution in the 3D printing process to obtain reproducible conditions for robotic manipulation research. We present CapriDB - an extensible database resulting from this approach containing initially 40 textured and 3D printable mesh models together with tracking features to facilitate the adoption of the proposed approach.

Person Authentication Using Learned Parameters of Lifting Wavelet Filters

NASA Astrophysics Data System (ADS)

Niijima, Koichi

2006-10-01

This paper proposes a method for identifying persons by the use of the lifting wavelet parameters learned by kurtosis-minimization. Our learning method uses desirable properties of kurtosis and wavelet coefficients of a facial image. Exploiting these properties, the lifting parameters are trained so as to minimize the kurtosis of lifting wavelet coefficients computed for the facial image. Since this minimization problem is an ill-posed problem, it is solved by the aid of Tikhonov's regularization method. Our learning algorithm is applied to each of the faces to be identified to generate its feature vector whose components consist of the learned parameters. The constructed feature vectors are memorized together with the corresponding faces in a feature vectors database. Person authentication is performed by comparing the feature vector of a query face with those stored in the database. In numerical experiments, the lifting parameters are trained for each of the neutral faces of 132 persons (74 males and 58 females) in the AR face database. Person authentication is executed by using the smile and anger faces of the same persons in the database.

Towards the Truly Predictive 3D Modeling of Recrystallization and Grain Growth in Advanced Technical Alloys

DTIC Science & Technology

2010-06-11

MODELING WITH IMPLEMENTED GBI AND MD DATA (STEADY STATE GB MIGRATION) PAGE 48 5. FORMATION AND ANALYSIS OF GB PROPERTIES DATABASE PAGE 53 5.1...Relative GB energy for specified GBM averaged on possible GBIs PAGE 53 5.2. Database validation on available experimental data PAGE 56 5.3. Comparison...PAGE 70 Fig. 6.11. MC Potts Rex. and GG software: (a) modeling volume analysis; (b) searching for GB energy value within included database . PAGE

Influence of calcium hydroxide on the post-treatment pain in Endodontics: A systematic review

PubMed Central

Anjaneyulu, K.; Nivedhitha, Malli Sureshbabu

2014-01-01

Introduction: Pain of endodontic origin has been a major concern to the patients and the clinicians for many years. Post-operative pain is associated with inflammation in the periradicular tissues caused by irritants egressing from root canal during treatment. It has been suggested that calcium hydroxide intra-canal medicament has pain-preventive properties because of its anti-microbial or tissue altering effects. Some dispute this and reasoned that calcium hydroxide may initiate or increase pain by inducing or increasing inflammation. Objective: To evaluate the effectiveness of calcium hydroxide in reducing the post-treatment pain when used as an intra-canal medicament Materials and Methods: The following databases were searched: PubMed CENTRAL (until July 2013), MEDLINE, and Cochrane Database of Systematic Reviews. Bibliographies of clinical studies and reviews identified in the electronic search were analyzed for studies published outside the electronically searched journals. The primary outcome measure was to evaluate the post-treatment pain reduction when calcium hydroxide is used as an intra-canal medicament in patients undergoing root canal therapy. Results: The reviews found some clinical evidence that calcium hydroxide is not very effective in reducing post-treatment pain when it is used alone, but its effectiveness can be increased when used in combination with other medicaments like chlorhexidine and camphorated monochlorophenol (CMCP). Conclusion: Even though calcium hydroxide is one of the most widely used intra-canal medicament due to its anti-microbial properties, there is no clear evidence of its effect on the post-treatment pain after the chemo-mechanical root canal preparation. PMID:24944439

S2RSLDB: a comprehensive manually curated, internet-accessible database of the sigma-2 receptor selective ligands.

PubMed

Nastasi, Giovanni; Miceli, Carla; Pittalà, Valeria; Modica, Maria N; Prezzavento, Orazio; Romeo, Giuseppe; Rescifina, Antonio; Marrazzo, Agostino; Amata, Emanuele

2017-01-01

Sigma (σ) receptors are accepted as a particular receptor class consisting of two subtypes: sigma-1 (σ 1 ) and sigma-2 (σ 2 ). The two receptor subtypes have specific drug actions, pharmacological profiles and molecular characteristics. The σ 2 receptor is overexpressed in several tumor cell lines, and its ligands are currently under investigation for their role in tumor diagnosis and treatment. The σ 2 receptor structure has not been disclosed, and researchers rely on σ 2 receptor radioligand binding assay to understand the receptor's pharmacological behavior and design new lead compounds. Here we present the sigma-2 Receptor Selective Ligands Database (S2RSLDB) a manually curated database of the σ 2 receptor selective ligands containing more than 650 compounds. The database is built with chemical structure information, radioligand binding affinity data, computed physicochemical properties, and experimental radioligand binding procedures. The S2RSLDB is freely available online without account login and having a powerful search engine the user may build complex queries, sort tabulated results, generate color coded 2D and 3D graphs and download the data for additional screening. The collection here reported is extremely useful for the development of new ligands endowed of σ 2 receptor affinity, selectivity, and appropriate physicochemical properties. The database will be updated yearly and in the near future, an online submission form will be available to help with keeping the database widely spread in the research community and continually updated. The database is available at http://www.researchdsf.unict.it/S2RSLDB.

Database systems for knowledge-based discovery.

PubMed

Jagarlapudi, Sarma A R P; Kishan, K V Radha

2009-01-01

Several database systems have been developed to provide valuable information from the bench chemist to biologist, medical practitioner to pharmaceutical scientist in a structured format. The advent of information technology and computational power enhanced the ability to access large volumes of data in the form of a database where one could do compilation, searching, archiving, analysis, and finally knowledge derivation. Although, data are of variable types the tools used for database creation, searching and retrieval are similar. GVK BIO has been developing databases from publicly available scientific literature in specific areas like medicinal chemistry, clinical research, and mechanism-based toxicity so that the structured databases containing vast data could be used in several areas of research. These databases were classified as reference centric or compound centric depending on the way the database systems were designed. Integration of these databases with knowledge derivation tools would enhance the value of these systems toward better drug design and discovery.

The Starlite Project

DTIC Science & Technology

1990-09-01

conflicts. The current prototyping tool also provides a multiversion data object control mechanism. From a series of experiments, we found that the...performance of a multiversion distributed database system is quite sensitive to the size of read-sets and write-sets of transactions. A multiversion database...510-512. (18) Son, S. H. and N. Haghighi, "Performance Evaluation of Multiversion Database Systems," Sixth IEEE International Conference on Data

NABIC marker database: A molecular markers information network of agricultural crops.

PubMed

Kim, Chang-Kug; Seol, Young-Joo; Lee, Dong-Jun; Jeong, In-Seon; Yoon, Ung-Han; Lee, Gang-Seob; Hahn, Jang-Ho; Park, Dong-Suk

2013-01-01

In 2013, National Agricultural Biotechnology Information Center (NABIC) reconstructs a molecular marker database for useful genetic resources. The web-based marker database consists of three major functional categories: map viewer, RSN marker and gene annotation. It provides 7250 marker locations, 3301 RSN marker property, 3280 molecular marker annotation information in agricultural plants. The individual molecular marker provides information such as marker name, expressed sequence tag number, gene definition and general marker information. This updated marker-based database provides useful information through a user-friendly web interface that assisted in tracing any new structures of the chromosomes and gene positional functions using specific molecular markers. The database is available for free at http://nabic.rda.go.kr/gere/rice/molecularMarkers/

Development of SRS.php, a Simple Object Access Protocol-based library for data acquisition from integrated biological databases.

PubMed

Barbosa-Silva, A; Pafilis, E; Ortega, J M; Schneider, R

2007-12-11

Data integration has become an important task for biological database providers. The current model for data exchange among different sources simplifies the manner that distinct information is accessed by users. The evolution of data representation from HTML to XML enabled programs, instead of humans, to interact with biological databases. We present here SRS.php, a PHP library that can interact with the data integration Sequence Retrieval System (SRS). The library has been written using SOAP definitions, and permits the programmatic communication through webservices with the SRS. The interactions are possible by invoking the methods described in WSDL by exchanging XML messages. The current functions available in the library have been built to access specific data stored in any of the 90 different databases (such as UNIPROT, KEGG and GO) using the same query syntax format. The inclusion of the described functions in the source of scripts written in PHP enables them as webservice clients to the SRS server. The functions permit one to query the whole content of any SRS database, to list specific records in these databases, to get specific fields from the records, and to link any record among any pair of linked databases. The case study presented exemplifies the library usage to retrieve information regarding registries of a Plant Defense Mechanisms database. The Plant Defense Mechanisms database is currently being developed, and the proposal of SRS.php library usage is to enable the data acquisition for the further warehousing tasks related to its setup and maintenance.

A Protocol, a standard and a (PULI) database for quantitative micro-FTIR measurements of water in nominally anhydrous minerals: an update

NASA Astrophysics Data System (ADS)

Kovacs, Istvan; Udvardi, Beatrix; Pintér, Zsanett; Hidas, Károly; Kutassy, Lászlóné; Falus, György; Lendvay, Pál; István, Török; Zelei, Tamás; Fancsik, Tamás; Gál, Tamás; Mihály, Judith; Németh, Csaba; Ingrin, Jannick; Xia, Qunke; Hermann, Jörg; Stalder, Roland; Perucchi, Andrea; Kamarás, Katalin; Szekrényes, Zsolt

2014-05-01

'Water' (H2O, OH and H+) in the nominally anhydrous minerals (NAMs) of the upper mantle play a key role in determining its geochemical and geophysical properties. Both the concentration and the substitution mechanism of water are important to formulate its effect on material properties. Fourier-transform infrared (FTIR) spectrometry can provide both qualitative and quantitative information on the substitution of water into NAMs, therefore, it is a widely used analytical technique. The quantitative evaluation of micro-FTIR mineral spectra, however, seems to be still rather ambiguous. This is because there are several different - sometimes controversial - ways to measure or estimate the total polarized integrated absorbance (Atot). Furthermore, there are mineral-, substitution mechanism- and wavenumber-dependent calibrations factors available to convert Atot to the absolute concentration of water (usually given in ppm wt.%). No wonder that very different absolute water concentrations may be obtained from the very same IR spectrum. Thus, there is certainly a need for an evaluation protocol which would reduce these uncertainties giving clear instructions how Atot should be obtained and what calibrations factors should be used. This will be introduced in our study. Inter laboratory differences were monitored by analysing the some unoriented grains of the Pakistani olivine standard using different brands of infrared microscopes in several different countries and laboratories worldwide. During these measurements optimal measurement settings for the IR analysis of NAMs were constrained. The results show that the inter laboratory deviations are typically less than 10%. To put constraints on the micro-scale (<50 microns) distribution of water in the Pakistani olivine standard high resolution infrared maps were recorded using a synchrotron light source. The hyper spectral images revealed small-scale heterogeneities within the crystals which otherwise could not have been observed with the aperture size of routine micro-FTIR analysis. Over the last decades several papers and books, dealing with various aspects of water in NAMs reported numerous infrared spectra. To keep up with this rising numbers of infrared spectra an electronic spectral database would be desirable. This was the motivation why we have constructed the Pannon Uniform Lithosheric Infrared (PULI) spectral database ( puli.mfgi.hu ), which by now include over a 1000 spectra of olivine and pyroxenes from the shallow upper mantle. The spectra were collected in uniform electronic formats (txt or xls) which will facilitate the comparison and quantitative re-evaluation.

Predicting Pattern Tooling and Casting Dimensions for Investment Casting, Phase III

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

Sabau, Adrian S

2008-04-01

Efforts during Phase III focused mainly on the shell-alloy systems. A high melting point alloy, 17-4PH stainless steel, was considered. The experimental part of the program was conducted at ORNL and commercial foundries, where wax patterns were injected, molds were invested, and alloys were poured. Shell molds made of fused-silica and alumino-silicates were considered. A literature review was conducted on thermophysical and thermomechanical properties alumino-silicates. Material property data, which were not available from material suppliers, was obtained. For all the properties of 17-4PH stainless steel, the experimental data available in the literature did not cover the entire temperature range necessarymore » for process simulation. Thus, some material properties were evaluated using ProCAST, based on CompuTherm database. A comparison between the predicted material property data and measured property data was made. It was found that most material properties were accurately predicted only over several temperature ranges. No experimental data for plastic modulus were found. Thus, several assumptions were made and ProCAST recommendations were followed in order to obtain a complete set of mechanical property data at high temperatures. Thermal expansion measurements for the 17-4PH alloy were conducted during heating and cooling. As a function of temperature, the thermal expansion for both the alloy and shell mold materials showed different evolution on heating and cooling. Numerical simulations were performed using ProCAST for the investment casting of 17-4PH stainless steel parts in fused silica molds using the thermal expansion obtained on heating and another one with thermal expansion obtained on cooling. Since the fused silica shells had the lowest thermal expansion properties in the industry, the dewaxing phase, including the coupling between wax-shell systems, was neglected. The shell mold was considered to be a pure elastic material. The alloy dimensions were obtained from numerical simulations. For 17-4PH stainless steel parts, the alloy shrinkage factors were over-predicted, as compared with experimental data. Additional R&D focus was placed on obtaining material property data for filled waxes, waxes that are common in the industry. For the first time in the investment casting industry, the thermo-mechanical properties of unfilled and filled waxes were measured. Test specimens of three waxes were injected at commercial foundries. Rheometry measurement of filled waxes was conducted at ORNL. The analysis of the rheometry data to obtain viscoelastic properties was not completed due to the reduction in the budget of the project (approximately 50% funds were received).« less

High Temperature, high pressure equation of state density correlations and viscosity correlations

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

Tapriyal, D.; Enick, R.; McHugh, M.

2012-07-31

Global increase in oil demand and depleting reserves has derived a need to find new oil resources. To find these untapped reservoirs, oil companies are exploring various remote and harsh locations such as deep waters in Gulf of Mexico, remote arctic regions, unexplored deep deserts, etc. Further, the depth of new oil/gas wells being drilled has increased considerably to tap these new resources. With the increase in the well depth, the bottomhole temperature and pressure are also increasing to extreme values (i.e. up to 500 F and 35,000 psi). The density and viscosity of natural gas and crude oil atmore » reservoir conditions are critical fundamental properties required for accurate assessment of the amount of recoverable petroleum within a reservoir and the modeling of the flow of these fluids within the porous media. These properties are also used to design appropriate drilling and production equipment such as blow out preventers, risers, etc. With the present state of art, there is no accurate database for these fluid properties at extreme conditions. As we have begun to expand this experimental database it has become apparent that there are neither equations of state for density or transport models for viscosity that can be used to predict these fundamental properties of multi-component hydrocarbon mixtures over a wide range of temperature and pressure. Presently, oil companies are using correlations based on lower temperature and pressure databases that exhibit an unsatisfactory predictive capability at extreme conditions (e.g. as great as {+-} 50%). From the perspective of these oil companies that are committed to safely producing these resources, accurately predicting flow rates, and assuring the integrity of the flow, the absence of an extensive experimental database at extreme conditions and models capable of predicting these properties over an extremely wide range of temperature and pressure (including extreme conditions) makes their task even more daunting.« less

Reducing vertices in property graphs

PubMed Central

Pąk, Karol

2018-01-01

Graph databases are constantly growing, and, at the same time, some of their data is the same or similar. Our experience with the management of the existing databases, especially the bigger ones, shows that certain vertices are particularly replicated there numerous times. Eliminating repetitive or even very similar data speeds up the access to database resources. We present a modification of this approach, where similarly we group together vertices of identical properties, but then additionally we join together groups of data that are located in distant parts of a graph. The second part of our approach is non-trivial. We show that the search for a partition of a given graph where each member of the partition has only pairwise distant vertices is NP-hard. We indicate a group of heuristics that try to solve our difficult computational problems and then we apply them to check the the effectiveness of our approach. PMID:29444127

ASL-LEX: A lexical database of American Sign Language.

PubMed

Caselli, Naomi K; Sehyr, Zed Sevcikova; Cohen-Goldberg, Ariel M; Emmorey, Karen

2017-04-01

ASL-LEX is a lexical database that catalogues information about nearly 1,000 signs in American Sign Language (ASL). It includes the following information: subjective frequency ratings from 25-31 deaf signers, iconicity ratings from 21-37 hearing non-signers, videoclip duration, sign length (onset and offset), grammatical class, and whether the sign is initialized, a fingerspelled loan sign, or a compound. Information about English translations is available for a subset of signs (e.g., alternate translations, translation consistency). In addition, phonological properties (sign type, selected fingers, flexion, major and minor location, and movement) were coded and used to generate sub-lexical frequency and neighborhood density estimates. ASL-LEX is intended for use by researchers, educators, and students who are interested in the properties of the ASL lexicon. An interactive website where the database can be browsed and downloaded is available at http://asl-lex.org .

Sweetness prediction of natural compounds.

PubMed

Chéron, Jean-Baptiste; Casciuc, Iuri; Golebiowski, Jérôme; Antonczak, Serge; Fiorucci, Sébastien

2017-04-15

Based on the most exhaustive database of sweeteners with known sweetness values, a new quantitative structure-activity relationship model for sweetness prediction has been set up. Analysis of the physico-chemical properties of sweeteners in the database indicates that the structure of most potent sweeteners combines a hydrophobic scaffold functionalized by a limited number of hydrogen bond sites (less than 4 hydrogen bond donors and 10 acceptors), with a moderate molecular weight ranging from 350 to 450g·mol -1 . Prediction of sweetness, bitterness and toxicity properties of the largest database of natural compounds have been performed. In silico screening reveals that the majority of the predicted natural intense sweeteners comprise saponin or stevioside scaffolds. The model highlights that their sweetness potency is comparable to known natural sweeteners. The identified compounds provide a rational basis to initiate the design and chemosensory analysis of new low-calorie sweeteners. Copyright © 2016 Elsevier Ltd. All rights reserved.

ASL-LEX: A lexical database of American Sign Language

PubMed Central

Caselli, Naomi K.; Sehyr, Zed Sevcikova; Cohen-Goldberg, Ariel M.; Emmorey, Karen

2016-01-01

ASL-LEX is a lexical database that catalogues information about nearly 1,000 signs in American Sign Language (ASL). It includes the following information: subjective frequency ratings from 25–31 deaf signers, iconicity ratings from 21–37 hearing non-signers, videoclip duration, sign length (onset and offset), grammatical class, and whether the sign is initialized, a fingerspelled loan sign or a compound. Information about English translations is available for a subset of signs (e.g., alternate translations, translation consistency). In addition, phonological properties (sign type, selected fingers, flexion, major and minor location, and movement) were coded and used to generate sub-lexical frequency and neighborhood density estimates. ASL-LEX is intended for use by researchers, educators, and students who are interested in the properties of the ASL lexicon. An interactive website where the database can be browsed and downloaded is available at http://asl-lex.org. PMID:27193158

Thermodynamic properties for arsenic minerals and aqueous species

USGS Publications Warehouse

Nordstrom, D. Kirk; Majzlan, Juraj; Königsberger, Erich; Bowell, Robert J.; Alpers, Charles N.; Jamieson, Heather E.; Nordstrom, D. Kirk; Majzlan, Juraj

2014-01-01

Quantitative geochemical calculations are not possible without thermodynamic databases and considerable advances in the quantity and quality of these databases have been made since the early days of Lewis and Randall (1923), Latimer (1952), and Rossini et al. (1952). Oelkers et al. (2009) wrote, “The creation of thermodynamic databases may be one of the greatest advances in the field of geochemistry of the last century.” Thermodynamic data have been used for basic research needs and for a countless variety of applications in hazardous waste management and policy making (Zhu and Anderson 2002; Nordstrom and Archer 2003; Bethke 2008; Oelkers and Schott 2009). The challenge today is to evaluate thermodynamic data for internal consistency, to reach a better consensus of the most reliable properties, to determine the degree of certainty needed for geochemical modeling, and to agree on priorities for further measurements and evaluations.

ACOUSTICAL IMAGING AND MECHANICAL PROPERTIES OF SOFT ROCK AND MARINE SEDIMENTS

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

Thurman E. Scott, Jr., Ph.D.; Younane Abousleiman, Ph.D.; Musharraf Zaman, Ph.D., P.E.

2001-07-01

Mechanically weak formations, such as chalks, high porosity sandstones, and marine sediments, pose significant problems for oil and gas operators. Problems such as compaction, subsidence, and loss of permeability can affect reservoir production operations. For example, the unexpected subsidence of the Ekofisk chalk in the North Sea required over one billion dollars to re-engineer production facilities to account for losses created during that compaction (Sulak 1991). Another problem in weak formations is that of shallow water flows (SWF). Deep water drilling operations sometimes encounter cases where the marine sediments, at shallow depths just below the seafloor, begin to uncontrollably flowmore » up and around the drill pipe. SWF problems created a loss of $150 million for the Ursa development project in the U.S. Gulf Coast SWF (Furlow 1998a,b; 1999a,b). The goal of this project is to provide a database on both the rock mechanical properties and the geophysical properties of weak rocks and sediments. These could be used by oil and gas companies to detect, evaluate, and alleviate potential production and drilling problems. The results will be useful in, for example, pre-drill detection of events such as SWF's by allowing a correlation of seismic data (such as hazard surveys) to rock mechanical properties. The data sets could also be useful for 4-D monitoring of the compaction and subsidence of an existing reservoir and imaging the zones of damage. During the second quarter of the project the research team has: (1) completed acoustic sensor construction, (2) conducted reconnaissance tests to map the deformational behaviors of the various rocks, (3) developed a sample assembly for the measurement of dynamic elastic and poroelastic parameters during triaxial testing, and (4) conducted a detailed review of the scientific literature and compiled a bibliography of that review. During the first quarter of the project the research team acquired several rock types for testing including: (a) Danian chalk, (b) Cordoba Cream limestone, (c) Indiana limestone, (d) Ekofisk chalk, (e) Oil Creek sandstone, (f) unconsolidated Oil Creek sand, and (g) unconsolidated Brazos river sand. During the second quarter experiments were begun on these rock types. A series of reconnaissance experiments have been carried out on all but the Ekofisk (for which there is a preliminary data set already inhouse). A series of triaxial tests have been conducted on the Danian chalk, the Cordoba Cream limestone, the Indiana limestone, and sand samples to make a preliminary determination of the deformational mechanisms present in these samples.« less

A Comparative Study of Fracture Toughness at Cryogenic Temperature of Austenitic Stainless Steel Welds

NASA Astrophysics Data System (ADS)

Aviles Santillana, I.; Boyer, C.; Fernandez Pison, P.; Foussat, A.; Langeslag, S. A. E.; Perez Fontenla, A. T.; Ruiz Navas, E. M.; Sgobba, S.

2018-03-01

The ITER magnet system is based on the "cable-in-conduit" conductor (CICC) concept, which consists of stainless steel jackets filled with superconducting strands. The jackets provide high strength, limited fatigue crack growth rate and fracture toughness properties to counteract the high stress imposed by, among others, electromagnetic loads at cryogenic temperature. Austenitic nitrogen-strengthened stainless steels have been chosen as base material for the jackets of the central solenoid and the toroidal field system, for which an extensive set of cryogenic mechanical property data are readily available. However, little is published for their welded joints, and their specific performance when considering different combinations of parent and filler metals. Moreover, the impact of post-weld heat treatments that are required for Nb3Sn formation is not extensively treated. Welds are frequently responsible for cracks initiated and propagated by fatigue during service, causing structural failure. It becomes thus essential to select the most suitable combination of parent and filler material and to assess their performance in terms of strength and crack propagation at operation conditions. An extensive test campaign has been conducted at 7 K comparing tungsten inert gas (TIG) welds using two fillers adapted to cryogenic service, EN 1.4453 and JK2LB, applied to two different base metals, AISI 316L and 316LN. A large set of fracture toughness data are presented, and the detrimental effect on fracture toughness of post-weld heat treatments (unavoidable for some of the components) is demonstrated. In this study, austenitic stainless steel TIG welds with various filler metals have undergone a comprehensive fracture mechanics characterization at 7 K. These results are directly exploitable and contribute to the cryogenic fracture mechanics properties database of the ITER magnet system. Additionally, a correlation between the impact in fracture toughness and microstructure resulting from the above treatment is provided.

DEVELOPMENT OF A COMPOSITION DATABASE FOR SELECTED MULTICOMPONENT OILS

EPA Science Inventory

During any oil spill incident, the properties of the spilled oil, including its chemical composition, physical properties, and changes due to weathering, are immediately important. U.S. EPA is currently developing new models for application to environmental problems associated...

SPARC GENERATED CHEMICAL PROPERTIES DATABASE FOR USE IN NATIONAL RISK ASSESSMENTS

EPA Science Inventory

The SPARC (Sparc Performs Automated Reasoning in Chemistry) Model was used to provide temperature dependent algorithms used to estimate chemical properties for approximately 200 chemicals of interest to the promulgation of the Hazardous Waste Identification Rule (HWIR) . Proper...

Curcumin: A Contact Allergen.

PubMed

Chaudhari, Soham P; Tam, Alison Y; Barr, Jason A

2015-11-01

Herbal medicines are used by thousands of patients all over the world. However, they can often cause adverse effects. Turmeric, made from the root of Curcuma, longa, is a yellow spice used throughout South Asia for its flavor as well as for its medicinal properties. Curcumin is the main ingredient in turmeric. It is known for downregulating the expression of various proinflammatory cytokines and has been studied for its antiinflammatory mechanism. However, it has also been reported to cause contact dermatitis. Kumkum, a turmeric-based powder applied by Hindu women on their foreheads, has also been found as an allergen. The authors have reviewed the anti-inflammatory properties of curcumin and reports of contact dermatitis to understand the possible harmful effects of this commonly used spice, while also examining its beneficial role in dermatologic conditions. They aim to increase awareness regarding this common herb and its prevalent use not only in South Asia, but also in North America. A thorough literature search of the PubMed database was conducted to identify studies that examined the antiinflammatory role of curcumin and its role in contact dermatitis. Eleven studies demonstrate that although curcumin does have antiinflammatory properties, it is an allergen. Curcumin has many valuable properties that can be exploited to treat dermatologic conditions. However, patients and dermatologists must be keen of possible allergic reactions. Further studies are needed to completely understand this widely used herb and its efficacy in dermatology.

(BARS) -- Bibliographic Retrieval System Sandia Shock Compression (SSC) database Shock Physics Index (SPHINX) database. Volume 1: UNIX version query guide customized application for INGRES

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

Herrmann, W.; von Laven, G.M.; Parker, T.

1993-09-01

The Bibliographic Retrieval System (BARS) is a data base management system specially designed to retrieve bibliographic references. Two databases are available, (i) the Sandia Shock Compression (SSC) database which contains over 5700 references to the literature related to stress waves in solids and their applications, and (ii) the Shock Physics Index (SPHINX) which includes over 8000 further references to stress waves in solids, material properties at intermediate and low rates, ballistic and hypervelocity impact, and explosive or shock fabrication methods. There is some overlap in the information in the two data bases.

Surficial geologic map of the Amboy 30' x 60' quadrangle, San Bernardino County, California

USGS Publications Warehouse

Bedford, David R.; Miller, David M.; Phelps, Geoffrey A.

2010-01-01

The surficial geologic map of the Amboy 30' x 60' quadrangle presents characteristics of surficial materials for an area of approximately 5,000 km2 in the eastern Mojave Desert of southern California. This map consists of new surficial mapping conducted between 2000 and 2007, as well as compilations from previous surficial mapping. Surficial geologic units are mapped and described based on depositional process and age categories that reflect the mode of deposition, pedogenic effects following deposition, and, where appropriate, the lithologic nature of the material. Many physical properties were noted and measured during the geologic mapping. This information was used to classify surficial deposits and to understand their ecological importance. We focus on physical properties that drive hydrologic, biologic, and physical processes such as particle-size distribution (PSD) and bulk density. The database contains point data representing locations of samples for both laboratory determined physical properties and semiquantitative field-based information in the database. We include the locations of all field observations and note the type of information collected in the field to help assist in assessing the quality of the mapping. The publication is separated into three parts: documentation, spatial data, and printable map graphics of the database. Documentation includes this pamphlet, which provides a discussion of the surficial geology and units and the map. Spatial data are distributed as ArcGIS Geodatabase in Microsoft Access format and are accompanied by a readme file, which describes the database contents, and FGDC metadata for the spatial map information. Map graphics files are distributed as Postscript and Adobe Portable Document Format (PDF) files that provide a view of the spatial database at the mapped scale.

Generation of large scale urban environments to support advanced sensor and seeker simulation

NASA Astrophysics Data System (ADS)

Giuliani, Joseph; Hershey, Daniel; McKeown, David, Jr.; Willis, Carla; Van, Tan

2009-05-01

One of the key aspects for the design of a next generation weapon system is the need to operate in cluttered and complex urban environments. Simulation systems rely on accurate representation of these environments and require automated software tools to construct the underlying 3D geometry and associated spectral and material properties that are then formatted for various objective seeker simulation systems. Under an Air Force Small Business Innovative Research (SBIR) contract, we have developed an automated process to generate 3D urban environments with user defined properties. These environments can be composed from a wide variety of source materials, including vector source data, pre-existing 3D models, and digital elevation models, and rapidly organized into a geo-specific visual simulation database. This intermediate representation can be easily inspected in the visible spectrum for content and organization and interactively queried for accuracy. Once the database contains the required contents, it can then be exported into specific synthetic scene generation runtime formats, preserving the relationship between geometry and material properties. To date an exporter for the Irma simulation system developed and maintained by AFRL/Eglin has been created and a second exporter to Real Time Composite Hardbody and Missile Plume (CHAMP) simulation system for real-time use is currently being developed. This process supports significantly more complex target environments than previous approaches to database generation. In this paper we describe the capabilities for content creation for advanced seeker processing algorithms simulation and sensor stimulation, including the overall database compilation process and sample databases produced and exported for the Irma runtime system. We also discuss the addition of object dynamics and viewer dynamics within the visual simulation into the Irma runtime environment.

Characterization of Radiation Fields in Biological Shields of Nuclear Power Plants for Assessing Concrete Degradationa

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

Remec, Igor; Rosseel, Thomas M; Field, Kevin G

Life extensions of nuclear power plants to 60 and potentially 80 years of operation have renewed interest in long-term material degradation. One material being considered is concrete, with a particular focus on radiation-induced effects. Based on the projected neutron fluence values (E > 0.1 MeV) in the concrete biological shields of the US pressurized water reactor fleet and the available data on radiation effects on concrete, some decrease in mechanical properties of concrete cannot be ruled out during extended operation beyond 60 years. An expansion of the irradiated concrete database and a reliable determination of relevant neutron fluence energy cutoffmore » value are necessary to ensure reliable risk assessment for extended operation of nuclear power plants.« less

A population of compact elliptical galaxies detected with the Virtual Observatory.

PubMed

Chilingarian, Igor; Cayatte, Véronique; Revaz, Yves; Dodonov, Serguei; Durand, Daniel; Durret, Florence; Micol, Alberto; Slezak, Eric

2009-12-04

Compact elliptical galaxies are characterized by small sizes and high stellar densities. They are thought to form through tidal stripping of massive progenitors. However, only a handful of them were known, preventing us from understanding the role played by this mechanism in galaxy evolution. We present a population of 21 compact elliptical galaxies gathered with the Virtual Observatory. Follow-up spectroscopy and data mining, using high-resolution images and large databases, show that all the galaxies exhibit old metal-rich stellar populations different from those of dwarf elliptical galaxies of similar masses but similar to those of more massive early-type galaxies, supporting the tidal stripping scenario. Their internal properties are reproduced by numerical simulations, which result in compact, dynamically hot remnants resembling the galaxies in our sample.

HST Keyword Dictionary

NASA Astrophysics Data System (ADS)

Swade, D. A.; Gardner, L.; Hopkins, E.; Kimball, T.; Lezon, K.; Rose, J.; Shiao, B.

STScI has undertaken a project to place all HST keyword information in one source, the keyword database, and to provide a mechanism for making this keyword information accessible to all HST users, the keyword dictionary, which is a WWW interface to the keyword database.

Asynchronous data change notification between database server and accelerator controls system

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

Fu, W.; Morris, J.; Nemesure, S.

2011-10-10

Database data change notification (DCN) is a commonly used feature. Not all database management systems (DBMS) provide an explicit DCN mechanism. Even for those DBMS's which support DCN (such as Oracle and MS SQL server), some server side and/or client side programming may be required to make the DCN system work. This makes the setup of DCN between database server and interested clients tedious and time consuming. In accelerator control systems, there are many well established software client/server architectures (such as CDEV, EPICS, and ADO) that can be used to implement data reflection servers that transfer data asynchronously to anymore » client using the standard SET/GET API. This paper describes a method for using such a data reflection server to set up asynchronous DCN (ADCN) between a DBMS and clients. This method works well for all DBMS systems which provide database trigger functionality. Asynchronous data change notification (ADCN) between database server and clients can be realized by combining the use of a database trigger mechanism, which is supported by major DBMS systems, with server processes that use client/server software architectures that are familiar in the accelerator controls community (such as EPICS, CDEV or ADO). This approach makes the ADCN system easy to set up and integrate into an accelerator controls system. Several ADCN systems have been set up and used in the RHIC-AGS controls system.« less

EVALUATION OF THE MECHANICAL PROPERTIES OF 9NI-4CO FORGINGS.

DTIC Science & Technology

FORGING, MECHANICAL PROPERTIES, STEEL , QUENCHING, SPECIFICATIONS, TENSILE PROPERTIES, COMPRESSIVE PROPERTIES, FATIGUE(MECHANICS), TOUGHNESS, STRESS...CORROSION, THERMAL STABILITY, STRAIN(MECHANICS), BAINITE , TEST METHODS, HEAT TREATMENT, CRACK PROPAGATION.

Database integration for investigative data visualization with the Temporal Analysis System

NASA Astrophysics Data System (ADS)

Barth, Stephen W.

1997-02-01

This paper describes an effort to provide mechanisms for integration of existing law enforcement databases with the temporal analysis system (TAS) -- an application for analysis and visualization of military intelligence data. Such integration mechanisms are essential for bringing advanced military intelligence data handling software applications to bear on the analysis of data used in criminal investigations. Our approach involved applying a software application for intelligence message handling to the problem of data base conversion. This application provides mechanisms for distributed processing and delivery of converted data records to an end-user application. It also provides a flexible graphic user interface for development and customization in the field.

Creation of graphic database specifying android arm mechanism work envelope taking into account forbidden zones position

NASA Astrophysics Data System (ADS)

Pritykin, F. N.; Nebritov, V. I.

2017-06-01

The structure of graphic database specifying the shape and the work envelope projection position of an android arm mechanism with various positions of the known in advance forbidden zones is proposed. The technique of analytical assignment of the work envelope based on the methods of analytical geometry and theory of sets is represented. The conducted studies can be applied in creation of knowledge bases for intellectual systems of android control functioning independently in the sophisticated environment.

A new natural hazards data-base for volcanic ash and SO2 from global satellite remote sensing measurements

NASA Astrophysics Data System (ADS)

Prata, F.; Stebel, K.

2013-12-01

Over the last few years there has been a recognition of the utility of satellite measurements to identify and track volcanic emissions that present a natural hazard to human populations. Mitigation of the volcanic hazard to life and the environment requires understanding of the properties of volcanic emissions, identifying the hazard in near real-time and being able to provide timely and accurate forecasts to affected areas. Amongst the many ways to measure volcanic emissions, satellite remote sensing is capable of providing global quantitative retrievals of important microphysical parameters such as ash mass loading, ash particle effective radius, infrared optical depth, SO2 partial and total column abundance, plume altitude, aerosol optical depth and aerosol absorbing index. The eruption of Eyjafjallajokull in April-May, 2010 led to increased research and measurement programs to better characterize properties of volcanic ash and the need to establish a data-base in which to store and access these data was confirmed. The European Space Agency (ESA) has recognized the importance of having a quality controlled data-base of satellite retrievals and has funded an activity (VAST) to develop novel remote sensing retrieval schemes and a data-base, initially focused on several recent hazardous volcanic eruptions. As a first step, satellite retrievals for the eruptions of Eyjafjallajokull, Grimsvotn, Puyhue-Cordon Caulle, Nabro, Merapi, Okmok, Kasatochi and Sarychev Peak are being considered. Here we describe the data, retrievals and methods being developed for the data-base. Three important applications of the data-base are illustrated related to the ash/aviation problem, to the impact of the Merapi volcanic eruption on the local population, and to estimate SO2 fluxes from active volcanoes-as a means to diagnose future unrest. Dispersion model simulations are also being included in the data-base. In time, data from conventional in situ sampling instruments, airborne and ground-based remote sensing platforms and other meta-data (bulk ash and gas properties, volcanic setting, volcanic eruption chronologies, hazards and impacts etc.) will be added. The data-base has the potential to provide the natural hazards community with the first dynamic atmospheric volcanic hazards map and will be a valuable tool particularly for global transport.

Clay and Polymer-Based Composites Applied to Drug Release: A Scientific and Technological Prospection.

PubMed

Meirelles, Lyghia Maria Araújo; Raffin, Fernanda Nervo

2017-01-01

There has been a growing trend in recent years for the development of hybrid materials, called composites, based on clay and polymers, whose innovative properties render them attractive for drug release. The objective of this manuscript was to conduct a review of original articles on this topic published over the last decade and of the body of patents related to these carriers. A scientific prospection was carried out spanning the period from 2005 to 2015 on the Web of Science database. The technological prospection encompassed the United States Patent and Trademark Office, the European Patent Office, the World International Patent Office and the National Institute of Industrial Property databases, filtering patents with the code A61K. The survey revealed a rise in the number of publications over the past decade, confirming the potential of these hybrids for use in pharmaceutical technology. Through interaction between polymer and clay, the mechanical and thermal properties of composites are enhanced, promoting stable, controlled drugs release in biological media. The most cited clays analyzed in the articles was montmorillonite, owing to its high surface area and capacity for ion exchange. The polymeric part is commonly obtained by copolymerization, particularly using acrylate derivatives. The hybrid materials are obtained mainly in particulate form on a nanometric scale, attaining a modified release profile often sensitive to stimuli in the media. A low number of patents related to the topic were found. The World International Patent Office had the highest number of lodged patents, while Japan was the country which published the most patents. A need to broaden the application of this technology to include more therapeutic classes was identified. Moreover, the absence of regulation of nanomaterials might explain the disparity between scientific and technological output. This article is open to POST-PUBLICATION REVIEW. Registered readers (see "For Readers") may comment by clicking on ABSTRACT on the issue's contents page.

Quantum Mechanical Simulations of Complex Nanostructures for Photovoltaic Applications

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

Wu, Zhigang

A quantitative understanding of the electronic excitations in nanostructures, especially complex nanostructures, is crucial for making new-generation photovoltaic (PV) cells based on nanotechnology, which have high efficiency and low cost. Yet current quantum mechanical simulation methods are either computationally too expensive or not accurate and reliable enough, hindering the rational design of the nanoscale PV cells. The PI seeks to develop new methodologies to overcome the challenges in this very difficult and long-lasting problem, pushing the field forward so that electronic excitations can be accurately predicted for systems involving thousands of atoms. The primary objective of this project is tomore » develop new approaches for electronic excitation calculations that are more accurate than traditional density functional theory (DFT) and are applicable to systems larger than what current beyond-DFT methods can treat. In this proposal, the PI will first address the excited-state problem within the DFT framework to obtain quasiparticle energies from both Kohn-Sham (KS) eigenvalues and orbitals; and the electron-hole binding energy will be computed based on screened Coulomb interaction of corresponding DFT orbitals. The accuracy of these approaches will be examined against many-body methods of GW/BSE and quantum Monte Carlo (QMC). The PI will also work on improving the accuracy and efficiency of the GW/BSE and QMC methods in electronic excitation computations by using better KS orbitals obtained from orbital-dependent DFT as inputs. Then an extended QMC database of ground- and excited-state properties will be developed, and this will be spot checked and supplemented with data from GW/BSE calculations. The investigation will subsequently focus on the development of an improved exchange-correlation (XC) density functional beyond the current generalized gradient approximation (GGA) level of parameterization, with parameters fitted to the QMC database. This will allow the ground-state properties of focus systems to be more precisely predicted using DFT. These new developments will then be applied to investigate a chosen set of complex nanostructures that have great potential for opening new routes in designing materials with improved transport, electronic, and optical properties for PV and other optoelectronic usages: (1) Hybrid interfaces between materials with distinct electronic and optical properties, such as organic molecules (conjugated polymers, e.g. P3HT) and inorganic semiconducting materials (Si and ZnO). Complicated interface structures, including interface bonding configurations, compositional and geometrical blending patterns, interfacial defects, and various sizes and shapes of inorganic nanomaterials, will be considered for the purpose of understanding the working mechanisms of present organic/nano PV systems and designing optimum interface structures for fast charge separation and injection. (2) Complex-structured semiconducting nanomaterials that could induce charge separation without pn- or hetero-junctions. The new methodology will allow the PI to investigate the performance of realistic semiconducting nanomaterials of internal (impurities, defects, etc.) and external (uneven surface, mechanical twisting and bending, surface chemistry, etc.) complexities on optical absorption and charge transport against charge trapping and recombination. Of particular interest is whether such structural complexity in a single material could even be beneficial for PV usage, for example, charge separation through morphology control. Successful completion of the proposed DFT methodology would have a far-reaching impact on our ability to study and exploit the nature of electronic excitations in complex materials, advancing the design of next-generation electronic and optoelectronic devices in all facets of renewable energy conversion and storage, including photovoltaics, thermoelectricity, photochemistry, etc.« less

Flight Mechanics Project

NASA Technical Reports Server (NTRS)

Steck, Daniel

2009-01-01

This report documents the generation of an outbound Earth to Moon transfer preliminary database consisting of four cases calculated twice a day for a 19 year period. The database was desired as the first step in order for NASA to rapidly generate Earth to Moon trajectories for the Constellation Program using the Mission Assessment Post Processor. The completed database was created running a flight trajectory and optimization program, called Copernicus, in batch mode with the use of newly created Matlab functions. The database is accurate and has high data resolution. The techniques and scripts developed to generate the trajectory information will also be directly used in generating a comprehensive database.

Internet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules—Search Options and Applications in Food Science

PubMed Central

Minkiewicz, Piotr; Darewicz, Małgorzata; Iwaniak, Anna; Bucholska, Justyna; Starowicz, Piotr; Czyrko, Emilia

2016-01-01

Internet databases of small molecules, their enzymatic reactions, and metabolism have emerged as useful tools in food science. Database searching is also introduced as part of chemistry or enzymology courses for food technology students. Such resources support the search for information about single compounds and facilitate the introduction of secondary analyses of large datasets. Information can be retrieved from databases by searching for the compound name or structure, annotating with the help of chemical codes or drawn using molecule editing software. Data mining options may be enhanced by navigating through a network of links and cross-links between databases. Exemplary databases reviewed in this article belong to two classes: tools concerning small molecules (including general and specialized databases annotating food components) and tools annotating enzymes and metabolism. Some problems associated with database application are also discussed. Data summarized in computer databases may be used for calculation of daily intake of bioactive compounds, prediction of metabolism of food components, and their biological activity as well as for prediction of interactions between food component and drugs. PMID:27929431

Internet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules-Search Options and Applications in Food Science.

PubMed

Minkiewicz, Piotr; Darewicz, Małgorzata; Iwaniak, Anna; Bucholska, Justyna; Starowicz, Piotr; Czyrko, Emilia

2016-12-06

Internet databases of small molecules, their enzymatic reactions, and metabolism have emerged as useful tools in food science. Database searching is also introduced as part of chemistry or enzymology courses for food technology students. Such resources support the search for information about single compounds and facilitate the introduction of secondary analyses of large datasets. Information can be retrieved from databases by searching for the compound name or structure, annotating with the help of chemical codes or drawn using molecule editing software. Data mining options may be enhanced by navigating through a network of links and cross-links between databases. Exemplary databases reviewed in this article belong to two classes: tools concerning small molecules (including general and specialized databases annotating food components) and tools annotating enzymes and metabolism. Some problems associated with database application are also discussed. Data summarized in computer databases may be used for calculation of daily intake of bioactive compounds, prediction of metabolism of food components, and their biological activity as well as for prediction of interactions between food component and drugs.

Nonseparable exchange–correlation functional for molecules, including homogeneous catalysis involving transition metals

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

Yu, Haoyu S.; Zhang, Wenjing; Verma, Pragya

2015-01-01

The goal of this work is to develop a gradient approximation to the exchange–correlation functional of Kohn–Sham density functional theory for treating molecular problems with a special emphasis on the prediction of quantities important for homogeneous catalysis and other molecular energetics. Our training and validation of exchange–correlation functionals is organized in terms of databases and subdatabases. The key properties required for homogeneous catalysis are main group bond energies (database MGBE137), transition metal bond energies (database TMBE32), reaction barrier heights (database BH76), and molecular structures (database MS10). We also consider 26 other databases, most of which are subdatabases of a newlymore » extended broad database called Database 2015, which is presented in the present article and in its ESI. Based on the mathematical form of a nonseparable gradient approximation (NGA), as first employed in the N12 functional, we design a new functional by using Database 2015 and by adding smoothness constraints to the optimization of the functional. The resulting functional is called the gradient approximation for molecules, or GAM. The GAM functional gives better results for MGBE137, TMBE32, and BH76 than any available generalized gradient approximation (GGA) or than N12. The GAM functional also gives reasonable results for MS10 with an MUE of 0.018 Å. The GAM functional provides good results both within the training sets and outside the training sets. The convergence tests and the smooth curves of exchange–correlation enhancement factor as a function of the reduced density gradient show that the GAM functional is a smooth functional that should not lead to extra expense or instability in optimizations. NGAs, like GGAs, have the advantage over meta-GGAs and hybrid GGAs of respectively smaller grid-size requirements for integrations and lower costs for extended systems. These computational advantages combined with the relatively high accuracy for all the key properties needed for molecular catalysis make the GAM functional very promising for future applications.« less

Database for Regional Geology, Phase 1: A Tool for Informing Regional Evaluations of Alternative Geologic Media and Decision Making

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

Perry, Frank Vinton; Kelley, Richard E.; Birdsell, Suzanne M.

Reported is progress in the following areas: Phase 1 and 2 websites for the regional geology GIS database; terrane maps of crystalline basement rocks; inventory of shale formations in the US; and rock properties and in-situ conditions for shale estimated from sonic velocity measurements.

Worldwide Ocean Optics Database (WOOD)

DTIC Science & Technology

2001-09-30

user can obtain values computed from empirical algorithms (e.g., beam attenuation estimated from diffuse attenuation and backscatter data). Error ...from empirical algorithms (e.g., beam attenuation estimated from diffuse attenuation and backscatter data). Error estimates will also be provided for...properties, including diffuse attenuation, beam attenuation, and scattering. The database shall be easy to use, Internet accessible, and frequently updated

International Shock-Wave Database: Current Status

NASA Astrophysics Data System (ADS)

Levashov, Pavel

2013-06-01

Shock-wave and related dynamic material response data serve for calibrating, validating, and improving material models over very broad regions of the pressure-temperature-density phase space. Since the middle of the 20th century vast amount of shock-wave experimental information has been obtained. To systemize it a number of compendiums of shock-wave data has been issued by LLNL, LANL (USA), CEA (France), IPCP and VNIIEF (Russia). In mid-90th the drawbacks of the paper handbooks became obvious, so the first version of the online shock-wave database appeared in 1997 (http://www.ficp.ac.ru/rusbank). It includes approximately 20000 experimental points on shock compression, adiabatic expansion, measurements of sound velocity behind the shock front and free-surface-velocity for more than 650 substances. This is still a useful tool for the shock-wave community, but it has a number of serious disadvantages which can't be easily eliminated: (i) very simple data format for points and references; (ii) minimalistic user interface for data addition; (iii) absence of history of changes; (iv) bad feedback from users. The new International Shock-Wave database (ISWdb) is intended to solve these and some other problems. The ISWdb project objectives are: (i) to develop a database on thermodynamic and mechanical properties of materials under conditions of shock-wave and other dynamic loadings, selected related quantities of interest, and the meta-data that describes the provenance of the measurements and material models; and (ii) to make this database available internationally through the Internet, in an interactive form. The development and operation of the ISWdb is guided by an advisory committee. The database will be installed on two mirrored web-servers, one in Russia and the other in USA (currently only one server is available). The database provides access to original experimental data on shock compression, non-shock dynamic loadings, isentropic expansion, measurements of sound speed in the Hugoniot state, and time-dependent free-surface or window-interface velocity profiles. Users are able to search the information in the database and obtain the experimental points in tabular or plain text formats directly via the Internet using common browsers. It is also possible to plot the experimental points for comparison with different approximations and results of equation-of-state calculations. The user can present the results of calculations in text or graphical forms and compare them with any experimental data available in the database. A short history of the shock-wave database will be presented and current possibilities of ISWdb will be demonstrated. Web-site of the project: http://iswdb.info. This work is supported by SNL contracts # 1143875, 1196352.

PropertyQuest

Science.gov Websites

range of site-related information easily, especially for historic resources. PropertyQuest draws from databases provided by other DC agencies. Information is presented here for planning purposes only. Please , including: The Office of Planning for historic resources, census information, and boundaries of Chinatown

Developing a High Level Data Base to Teach Reproductive Endocrinology Using the HyperCard Program.

ERIC Educational Resources Information Center

Friedler, Yael; Shabo, Amnon

1990-01-01

Describes a database courseware using the HyperCard program on the subject of human reproductive endocrinology and feedback mechanisms. Discusses some issues concerning database courseware development. Presents several examples of the courseware display. (Author/YP)

77 FR 71089 - Pilot Loading of Aeronautical Database Updates

Federal Register 2010, 2011, 2012, 2013, 2014

2012-11-29

... the use of newer systems and data-transfer mechanisms such as those employing wireless technology. In... which enables wireless updating of systems and databases. The current regulation does not accommodate... maintenance); Recordkeeping requirements; Training for pilots; Technological advancements in data-transfer...

Summary of JAYGO mixing and FSM-1 application of castable inhibitor and liner

NASA Technical Reports Server (NTRS)

Evans, Kurt B.

1990-01-01

Two JAYGO planetary mixers (12 and 42 gallon) are being qualified to mix STW5-3224 liner and STW5-3223 castable inhibitor. These mixers are an integral part of a mix process which allows for safe addition of the asbestos component. An essential part of the engineering evaluation (ETP-0347) of these mixers is the generation of static test fire data. Ultimately, these results will help confirm the adequacy of these mixers for production mixing of liner and inhibitor. (These data are not required for qualification of the Certification Test Plan CTP-0125). The details on the mixing, inhibiting, and sling-lining of JAYGO-mixed castable inhibitor and liner which were applied to the FSM-1 segments are presented. The objectives are the following: (1) to document processing events surrounding the JAYO mixing of castable inhibitor and liner, and the subsequent inhibiting and sling lining onto the FSM-1 segments; and (2) to substantiate the measured properties of these JAYGO-mixed materials (rheological and mechanical) and compare these properties to existing production database.

Exploration in free word association networks: models and experiment.

PubMed

Ludueña, Guillermo A; Behzad, Mehran Djalali; Gros, Claudius

2014-05-01

Free association is a task that requires a subject to express the first word to come to their mind when presented with a certain cue. It is a task which can be used to expose the basic mechanisms by which humans connect memories. In this work, we have made use of a publicly available database of free associations to model the exploration of the averaged network of associations using a statistical and the adaptive control of thought-rational (ACT-R) model. We performed, in addition, an online experiment asking participants to navigate the averaged network using their individual preferences for word associations. We have investigated the statistics of word repetitions in this guided association task. We find that the considered models mimic some of the statistical properties, viz the probability of word repetitions, the distance between repetitions and the distribution of association chain lengths, of the experiment, with the ACT-R model showing a particularly good fit to the experimental data for the more intricate properties as, for instance, the ratio of repetitions per length of association chains.

Dermocosmetics for dry skin: a new role for botanical extracts.

PubMed

Casetti, F; Wölfle, U; Gehring, W; Schempp, C M

2011-01-01

Dry skin is associated with a disturbed skin barrier and reduced formation of epidermal proteins and lipids. During recent years, skin-barrier-reinforcing properties of some botanical compounds have been described. Searching the PubMed database revealed 9 botanical extracts that specifically improve skin barrier and/or promote keratinocyte differentiation in vivo after topical application. The topical application of Aloe vera (leaf gel), Betula alba (birch bark extract), Helianthus annuus (sunflower oleodistillate), Hypericum perforatum (St. John's wort extract), Lithospermum erythrorhizon (root extract), Piptadenia colubrina (angico-branco extract) and Simarouba amara (bitter wood extract) increased skin hydration, reduced the transepidermal water loss, or promoted keratinocyte differentiation in humans in vivo. The topical application of Rubia cordifolia root extract and rose oil obtained from Rosa spp. flowers stimulated keratinocyte differentiation in mouse models. The underlying mechanisms of these effects are discussed. It is concluded that some botanical compounds display skin-barrier-reinforcing properties that may be used in dermocosmetics for dry skin. However, more investigations on the mode of action and more vehicle-controlled studies are required. Copyright © 2011 S. Karger AG, Basel.

Recent advances and issues in development of silicon carbide composites for fusion applications

NASA Astrophysics Data System (ADS)

Nozawa, T.; Hinoki, T.; Hasegawa, A.; Kohyama, A.; Katoh, Y.; Snead, L. L.; Henager, C. H., Jr.; Hegeman, J. B. J.

2009-04-01

Radiation-resistant advanced silicon carbide (SiC/SiC) composites have been developed as a promising candidate of the high-temperature operating advanced fusion reactor. With the completion of the 'proof-of-principle' phase in development of 'nuclear-grade' SiC/SiC composites, the R&D on SiC/SiC composites is shifting toward the more pragmatic phase, i.e., industrialization of component manufactures and data-basing. In this paper, recent advances and issues in (1) development of component fabrication technology including joining and functional coating, e.g., a tungsten overcoat as a plasma facing barrier, (2) recent updates in characterization of non-irradiated properties, e.g., strength anisotropy and chemical compatibility with solid lithium-based ceramics and lead-lithium liquid metal breeders, and (3) irradiation effects are specifically reviewed. Importantly high-temperature neutron irradiation effects on microstructural evolution, thermal and electrical conductivities and mechanical properties including the fiber/matrix interfacial strength are specified under various irradiation conditions, indicating seemingly very minor influence on the composite performance in the design temperature range.

Multiscale Modeling of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2: Application to Lattice Thermal Conductivity

NASA Technical Reports Server (NTRS)

Lawson, John W.; Daw, Murray S.; Squire, Thomas H.; Bauschlicher, Charles W.

2012-01-01

We are developing a multiscale framework in computational modeling for the ultra high temperature ceramics (UHTC) ZrB2 and HfB2. These materials are characterized by high melting point, good strength, and reasonable oxidation resistance. They are candidate materials for a number of applications in extreme environments including sharp leading edges of hypersonic aircraft. In particular, we used a combination of ab initio methods, atomistic simulations and continuum computations to obtain insights into fundamental properties of these materials. Ab initio methods were used to compute basic structural, mechanical and thermal properties. From these results, a database was constructed to fit a Tersoff style interatomic potential suitable for atomistic simulations. These potentials were used to evaluate the lattice thermal conductivity of single crystals and the thermal resistance of simple grain boundaries. Finite element method (FEM) computations using atomistic results as inputs were performed with meshes constructed on SEM images thereby modeling the realistic microstructure. These continuum computations showed the reduction in thermal conductivity due to the grain boundary network.

Space Transportation System (STS)-133/External Tank (ET)-137 Intertank (IT) Stringer Cracking Issue and Repair Assessment: Proximate Cause Determination and Material Characterization Study

NASA Technical Reports Server (NTRS)

Piascik, Robert S.

2011-01-01

Several cracks were detected in stringers located beneath the foam on the External Tank (ET) following the launch scrub of Space Transportation System (STS)-133 on November 5, 2010. The stringer material was aluminum-lithium (AL-Li) 2090-T83 fabricated from sheets that were nominally 0.064 inches thick. The mechanical properties of the stringer material were known to vary between different material lots, with the stringers from ET-137 (predominately lots 620853 and 620854) having the highest yield and ultimate stresses. Subsequent testing determined that these same lots also had the lowest fracture toughness properties. The NASA Engineering and Safety Center (NESC) supported the Space Shuttle Program (SSP)-led investigation. The objective of this investigation was to develop a database of test results to provide validation for structural analysis models, independently confirm test results obtained from other investigators, and determine the proximate cause of the anomalous low fracture toughness observed in stringer lots 620853 and 620854. This document contains the outcome of the investigation.

Sensitivity of Force Fields on Mechanical Properties of Metals Predicted by Atomistic Simulations

NASA Astrophysics Data System (ADS)

Rassoulinejad-Mousavi, Seyed Moein; Zhang, Yuwen

Increasing number of micro/nanoscale studies for scientific and engineering applications, leads to huge deployment of atomistic simulations such as molecular dynamics and Monte-Carlo simulation. Many complains from users in the simulation community arises for obtaining wrong results notwithstanding of correct simulation procedure and conditions. Improper choice of force field, known as interatomic potential is the likely causes. For the sake of users' assurance, convenience and time saving, several interatomic potentials are evaluated by molecular dynamics. Elastic properties of multiple FCC and BCC pure metallic species are obtained by LAMMPS, using different interatomic potentials designed for pure species and their alloys at different temperatures. The potentials created based on the Embedded Atom Method (EAM), Modified EAM (MEAM) and ReaX force fields, adopted from available open databases. Independent elastic stiffness constants of cubic single crystals for different metals are obtained. The results are compared with the experimental ones available in the literature and deviations for each force field are provided at each temperature. Using current work, users of these force fields can easily judge on the one they are going to designate for their problem.

Advances in Ultra High Temperature Ceramics for Hot Structures

NASA Astrophysics Data System (ADS)

Scatteia, Luigi; Monteverde, Federico; Alfano, Davide; Cantoni, Stefania

The objective of this paper is to describe the current state of the art of the research on Ultra High Temperature Ceramic materials with particular reference to their space applications, and also to report on the activities performed on UHTC in the past decade by the Italian Aerospace Research Centre in the specific technological field of structural thermal protection systems. Within several internal research project, various UHTC composition, mainly based upon Zirconium Diboride and Hafnium Diboride with added secondary phases and sintering aid were examined characterized in their mechanical properties and oxidation resistance. Two main composition were selected as the most promising for hot structure manufacturing: these materials were extensively characterized in order to obtain a comprehensive database of properties to feed the thermomechanical design of prototype hot structures. Technological demonstrators were manufactured by hot pressing followed by further fine machining with Electrical Discharge methods, and then tested at high temperature for long times in a plasma torch facility. The main outstanding results obtained are discussed in this paper. Future outlooks related to the UHTC technology and its further development are also provided.

Bayesian screening for active compounds in high-dimensional chemical spaces combining property descriptors and molecular fingerprints.

PubMed

Vogt, Martin; Bajorath, Jürgen

2008-01-01

Bayesian classifiers are increasingly being used to distinguish active from inactive compounds and search large databases for novel active molecules. We introduce an approach to directly combine the contributions of property descriptors and molecular fingerprints in the search for active compounds that is based on a Bayesian framework. Conventionally, property descriptors and fingerprints are used as alternative features for virtual screening methods. Following the approach introduced here, probability distributions of descriptor values and fingerprint bit settings are calculated for active and database molecules and the divergence between the resulting combined distributions is determined as a measure of biological activity. In test calculations on a large number of compound activity classes, this methodology was found to consistently perform better than similarity searching using fingerprints and multiple reference compounds or Bayesian screening calculations using probability distributions calculated only from property descriptors. These findings demonstrate that there is considerable synergy between different types of property descriptors and fingerprints in recognizing diverse structure-activity relationships, at least in the context of Bayesian modeling.

The Einstein database of IPC x-ray observations of optically selected and radio-selected quasars, 1.

NASA Technical Reports Server (NTRS)

Wilkes, Belinda J.; Tananbaum, Harvey; Worrall, D. M.; Avni, Yoram; Oey, M. S.; Flanagan, Joan

1994-01-01

We present the first volume of the Einstein quasar database. The database includes estimates of the X-ray count rates, fluxes, and luminosities for 514 quasars and Seyfert 1 galaxies observed with the Imaging Proportional Counter (IPC) aboard the Einstein Observatory. All were previously known optically selected or radio-selected objects, and most were the targets of the X-ray observations. The X-ray properties of the Active Galactic Nuclei (AGNs) have been derived by reanalyzing the IPC data in a systematic manner to provide a uniform database for general use by the astronomical community. We use the database to extend earlier quasar luminosity studies which were made using only a subset of the currently available data. The database can be accessed on internet via the SAO Einstein on-line system ('Einline') and is available in ASCII format on magnetic tape and DOS diskette.

Statistical analysis of magnetically soft particles in magnetorheological elastomers

NASA Astrophysics Data System (ADS)

Gundermann, T.; Cremer, P.; Löwen, H.; Menzel, A. M.; Odenbach, S.

2017-04-01

The physical properties of magnetorheological elastomers (MRE) are a complex issue and can be influenced and controlled in many ways, e.g. by applying a magnetic field, by external mechanical stimuli, or by an electric potential. In general, the response of MRE materials to these stimuli is crucially dependent on the distribution of the magnetic particles inside the elastomer. Specific knowledge of the interactions between particles or particle clusters is of high relevance for understanding the macroscopic rheological properties and provides an important input for theoretical calculations. In order to gain a better insight into the correlation between the macroscopic effects and microstructure and to generate a database for theoretical analysis, x-ray micro-computed tomography (X-μCT) investigations as a base for a statistical analysis of the particle configurations were carried out. Different MREs with quantities of 2-15 wt% (0.27-2.3 vol%) of iron powder and different allocations of the particles inside the matrix were prepared. The X-μCT results were edited by an image processing software regarding the geometrical properties of the particles with and without the influence of an external magnetic field. Pair correlation functions for the positions of the particles inside the elastomer were calculated to statistically characterize the distributions of the particles in the samples.

Creating a High-Frequency Electronic Database in the PICU: The Perpetual Patient.

PubMed

Brossier, David; El Taani, Redha; Sauthier, Michael; Roumeliotis, Nadia; Emeriaud, Guillaume; Jouvet, Philippe

2018-04-01

Our objective was to construct a prospective high-quality and high-frequency database combining patient therapeutics and clinical variables in real time, automatically fed by the information system and network architecture available through fully electronic charting in our PICU. The purpose of this article is to describe the data acquisition process from bedside to the research electronic database. Descriptive report and analysis of a prospective database. A 24-bed PICU, medical ICU, surgical ICU, and cardiac ICU in a tertiary care free-standing maternal child health center in Canada. All patients less than 18 years old were included at admission to the PICU. None. Between May 21, 2015, and December 31, 2016, 1,386 consecutive PICU stays from 1,194 patients were recorded in the database. Data were prospectively collected from admission to discharge, every 5 seconds from monitors and every 30 seconds from mechanical ventilators and infusion pumps. These data were linked to the patient's electronic medical record. The database total volume was 241 GB. The patients' median age was 2.0 years (interquartile range, 0.0-9.0). Data were available for all mechanically ventilated patients (n = 511; recorded duration, 77,678 hr), and respiratory failure was the most frequent reason for admission (n = 360). The complete pharmacologic profile was synched to database for all PICU stays. Following this implementation, a validation phase is in process and several research projects are ongoing using this high-fidelity database. Using the existing bedside information system and network architecture of our PICU, we implemented an ongoing high-fidelity prospectively collected electronic database, preventing the continuous loss of scientific information. This offers the opportunity to develop research on clinical decision support systems and computational models of cardiorespiratory physiology for example.

[Review of digital ground object spectral library].

PubMed

Zhou, Xiao-Hu; Zhou, Ding-Wu

2009-06-01

A higher spectral resolution is the main direction of developing remote sensing technology, and it is quite important to set up the digital ground object reflectance spectral database library, one of fundamental research fields in remote sensing application. Remote sensing application has been increasingly relying on ground object spectral characteristics, and quantitative analysis has been developed to a new stage. The present article summarized and systematically introduced the research status quo and development trend of digital ground object reflectance spectral libraries at home and in the world in recent years. Introducing the spectral libraries has been established, including desertification spectral database library, plants spectral database library, geological spectral database library, soil spectral database library, minerals spectral database library, cloud spectral database library, snow spectral database library, the atmosphere spectral database library, rocks spectral database library, water spectral database library, meteorites spectral database library, moon rock spectral database library, and man-made materials spectral database library, mixture spectral database library, volatile compounds spectral database library, and liquids spectral database library. In the process of establishing spectral database libraries, there have been some problems, such as the lack of uniform national spectral database standard and uniform standards for the ground object features as well as the comparability between different databases. In addition, data sharing mechanism can not be carried out, etc. This article also put forward some suggestions on those problems.

dbHiMo: a web-based epigenomics platform for histone-modifying enzymes

PubMed Central

Choi, Jaeyoung; Kim, Ki-Tae; Huh, Aram; Kwon, Seomun; Hong, Changyoung; Asiegbu, Fred O.; Jeon, Junhyun; Lee, Yong-Hwan

2015-01-01

Over the past two decades, epigenetics has evolved into a key concept for understanding regulation of gene expression. Among many epigenetic mechanisms, covalent modifications such as acetylation and methylation of lysine residues on core histones emerged as a major mechanism in epigenetic regulation. Here, we present the database for histone-modifying enzymes (dbHiMo; http://hme.riceblast.snu.ac.kr/) aimed at facilitating functional and comparative analysis of histone-modifying enzymes (HMEs). HMEs were identified by applying a search pipeline built upon profile hidden Markov model (HMM) to proteomes. The database incorporates 11 576 HMEs identified from 603 proteomes including 483 fungal, 32 plants and 51 metazoan species. The dbHiMo provides users with web-based personalized data browsing and analysis tools, supporting comparative and evolutionary genomics. With comprehensive data entries and associated web-based tools, our database will be a valuable resource for future epigenetics/epigenomics studies. Database URL: http://hme.riceblast.snu.ac.kr/ PMID:26055100

NASA Access Mechanism: Lessons learned document

NASA Technical Reports Server (NTRS)

Burdick, Lisa; Dunbar, Rick; Duncan, Denise; Generous, Curtis; Hunter, Judy; Lycas, John; Taber-Dudas, Ardeth

1994-01-01

The six-month beta test of the NASA Access Mechanism (NAM) prototype was completed on June 30, 1993. This report documents the lessons learned from the use of this Graphical User Interface to NASA databases such as the NASA STI Database, outside databases, Internet resources, and peers in the NASA R&D community. Design decisions, such as the use of XWindows software, a client-server distributed architecture, and use of the NASA Science Internet, are explained. Users' reactions to the interface and suggestions for design changes are reported, as are the changes made by the software developers based on new technology for information discovery and retrieval. The lessons learned section also reports reactions from the public, both at demonstrations and in response to articles in the trade press and journals. Recommendations are included for future versions, such as a World Wide Web (WWW) and Mosaic based interface to heterogeneous databases, and NAM-Lite, a version which allows customization to include utilities provided locally at NASA Centers.

Chemical Transformation System: Cloud Based Cheminformatic Services to Support Integrated Environmental Modeling

EPA Science Inventory

Integrated Environmental Modeling (IEM) systems that account for the fate/transport of organics frequently require physicochemical properties as well as transformation products. A myriad of chemical property databases exist but these can be difficult to access and often do not co...

Aerosol Remote Sensing from AERONET, the Ground-Based Satellite

NASA Technical Reports Server (NTRS)

Holben, Brent N.

2012-01-01

Atmospheric particles including mineral dust, biomass burning smoke, pollution from carbonaceous aerosols and sulfates, sea salt, impact air quality and climate. The Aerosol Robotic Network (AERONET) program, established in the early 1990s, is a federation of ground-based remote sensing aerosol networks of Sun/sky radiometers distributed around the world, which provides a long-term, continuous and readily accessible public domain database of aerosol optical (e.g., aerosol optical depth) and microphysical (e.g., aerosol volume size distribution) properties for aerosol characterization, validation of satellite retrievals, and synergism with Earth science databases. Climatological aerosol properties will be presented at key worldwide locations exhibiting discrete dominant aerosol types. Further, AERONET's temporary mesoscale network campaign (e.g., UAE2, TIGERZ, DRAGON-USA.) results that attempt to quantify spatial and temporal variability of aerosol properties, establish validation of ground-based aerosol retrievals using aircraft profile measurements, and measure aerosol properties on compatible spatial scales with satellite retrievals and aerosol transport models allowing for more robust validation will be discussed.

Cryogenic Information Center

NASA Technical Reports Server (NTRS)

Mohling, Robert A.; Marquardt, Eric D.; Fusilier, Fred C.; Fesmire, James E.

2003-01-01

The Cryogenic Information Center (CIC) is a not-for-profit corporation dedicated to preserving and distributing cryogenic information to government, industry, and academia. The heart of the CIC is a uniform source of cryogenic data including analyses, design, materials and processes, and test information traceable back to the Cryogenic Data Center of the former National Bureau of Standards. The electronic database is a national treasure containing over 146,000 specific bibliographic citations of cryogenic literature and thermophysical property data dating back to 1829. A new technical/bibliographic inquiry service can perform searches and technical analyses. The Cryogenic Material Properties (CMP) Program consists of computer codes using empirical equations to determine thermophysical material properties with emphasis on the 4-300K range. CMP's objective is to develop a user-friendly standard material property database using the best available data so government and industry can conduct more accurate analyses. The CIC serves to benefit researchers, engineers, and technologists in cryogenics and cryogenic engineering, whether they are new or experienced in the field.

Process description language: an experiment in robust programming for manufacturing systems

NASA Astrophysics Data System (ADS)

Spooner, Natalie R.; Creak, G. Alan

1998-10-01

Maintaining stable, robust, and consistent software is difficult in face of the increasing rate of change of customers' preferences, materials, manufacturing techniques, computer equipment, and other characteristic features of manufacturing systems. It is argued that software is commonly difficult to keep up to date because many of the implications of these changing features on software details are obscure. A possible solution is to use a software generation system in which the transformation of system properties into system software is made explicit. The proposed generation system stores the system properties, such as machine properties, product properties and information on manufacturing techniques, in databases. As a result this information, on which system control is based, can also be made available to other programs. In particular, artificial intelligence programs such as fault diagnosis programs, can benefit from using the same information as the control system, rather than a separate database which must be developed and maintained separately to ensure consistency. Experience in developing a simplified model of such a system is presented.

Building a medical image processing algorithm verification database

NASA Astrophysics Data System (ADS)

Brown, C. Wayne

2000-06-01

The design of a database containing head Computed Tomography (CT) studies is presented, along with a justification for the database's composition. The database will be used to validate software algorithms that screen normal head CT studies from studies that contain pathology. The database is designed to have the following major properties: (1) a size sufficient for statistical viability, (2) inclusion of both normal (no pathology) and abnormal scans, (3) inclusion of scans due to equipment malfunction, technologist error, and uncooperative patients, (4) inclusion of data sets from multiple scanner manufacturers, (5) inclusion of data sets from different gender and age groups, and (6) three independent diagnosis of each data set. Designed correctly, the database will provide a partial basis for FDA (United States Food and Drug Administration) approval of image processing algorithms for clinical use. Our goal for the database is the proof of viability of screening head CT's for normal anatomy using computer algorithms. To put this work into context, a classification scheme for 'computer aided diagnosis' systems is proposed.

National Levee Database: monitoring, vulnerability assessment and management in Italy

NASA Astrophysics Data System (ADS)

Barbetta, Silvia; Camici, Stefania; Maccioni, Pamela; Moramarco, Tommaso

2015-04-01

A properly designed and constructed levees system can often be an effective device for repelling floodwaters and provide barriers against inundation to protect urbanized and industrial areas. However, the delineation of flooding-prone areas and the related hydraulic hazard mapping taking account of uncertainty (Apel et al., 2008) are usually developed with a scarce consideration of the possible occurrence of levee failures along river channels (Mazzoleni et al., 2014). Indeed, it is well known that flooding is frequently the result of levee failures that can be triggered by several factors, as: (1) overtopping, (2) scouring of the foundation, (3) seepage/piping of levee body/foundation, and (4) sliding of the foundation. Among these failure mechanisms that are influenced by the levee's geometrical configuration, hydraulic conditions (e.g. river level and seepage), and material properties (e.g. permeability, cohesion, porosity, compaction), the piping caused by seepage (ICOLD, http://www.icold-cigb.org) is considered one of the most dominant levee failure mechanisms (Colleselli F., 1994; Wallingford H. R., 2003). The difficulty of estimating the hydraulic parameters to properly describe the seepage line within the body and foundation of the levee implies that the study of the critical flood wave routing is typically carried out by assuming that the levee system is undamaged during the flood event. In this context, implementing and making operational a National Levee Database (NLD), effectively structured and continuously updated, becomes fundamental to have a searchable inventory of information about levees available as a key resource supporting decisions and actions affecting levee safety. The ItaliaN LEvee Database (INLED) has been recently developed by the Research Institute for Geo-Hydrological Protection (IRPI) for the Civil Protection Department of the Presidency of Council of Ministers. INLED has the main focus of collecting comprehensive information about Italian levees and historical breach failures to be exploited in the framework of an operational procedure addressed to the seepage vulnerability assessment of river reaches where the levee system is an important structural measure against flooding. For its structure, INLED is a dynamic geospatial database with ongoing efforts to add levee data from authorities with the charge of hydraulic risk mitigation. In particular, the database is aimed to provide the available information about: i) location and condition of levees; ii) morphological and geometrical properties; iii) photographic documentation; iv) historical levee failures; v) assessment of vulnerability to overtopping and seepage carried out through a procedure based on simple vulnerability indexes (Camici et al. 2014); vi) management, control and maintenance; vii)flood hazard maps developed by assuming the levee system undamaged/damaged during the flood event. Currently, INLED contains data of levees that are mostly located in the Tiber basin, Central Italy. References Apel H., Merz B. & Thieken A.H. Quantification of uncertainties in flood risk assessments. Int J River Basin Manag 2008, 6, (2), 149-162. Camici S,, Barbetta S., Moramarco T., Levee body vulnerability to seepage: the case study of the levee failure along the Foenna stream on 1st January 2006 (central Italy)", Journal of Flood Risk Management, in press. Colleselli F. Geotechnical problems related to river and channel embankments. Rotterdam, the Netherlands: Springer, 1994. H. R.Wallingford Consultants (HRWC). Risk assessment for flood and coastal defence for strategic planning: high level methodology technical report, London, 2003. Mazzoleni M., Bacchi B., Barontini S., Di Baldassarre G., Pilotti M. & Ranzi R. Flooding hazard mapping in floodplain areas affected by piping breaches in the Po River, Italy. J Hydrol Eng 2014, 19, (4), 717-731.

Turning copper metal into a Weyl semimetal

NASA Astrophysics Data System (ADS)

Du, Yongping; Kan, Er-jun; Xu, Hu; Savrasov, Sergey Y.; Wan, Xiangang

2018-06-01

A search for new topological quantum systems is challenging due to the requirement of nontrivial band connectivity that leads to protected surface states of electrons. Progress in this field was primarily due to a realization of a band inversion mechanism between even and odd parity states that was proven to be very useful in both predicting many such systems and our understanding of their topological properties. Despite many proposed materials that assume the band inversion between s and p (or p /d , d /f ) electrons, here, we explore a different mechanism where the occupied d states subjected to a tetrahedral crystal field produce an active t2 g manifold behaving as a state with an effective orbital momentum equal to -1 , and pushing jeff=1 /2 doublet at a higher energy. Via hybridization with nearest-neighbor orbitals realizable, e.g., in a zinc-blende structural environment, this allows a formation of odd parity state whose subsequent band inversion with an unoccupied s band becomes possible, prompting us to look for the compounds with Cu+1 ionic state. Chemical valence arguments coupled to a search in the materials database of zinc-blende-like lattice space groups Td2 (F 4 ¯3 m ) lead us to systematically investigate electronic structures and topological properties of CuY (Y =F , Cl, Br, I) and Cu X O (X =Li , Na, K, Rb) families of compounds. Our theoretical results show that CuF displays a behavior characteristic of an ideal Weyl semimetal with 24 Weyl nodes at the bulk Brillouin zone. We also find that other compounds, CuNaO and CuLiO, are the s -d inversion-type topological insulators. Results for their electronic structures and corresponding surfaces states are presented and discussed in the context of their topological properties.

Improved Saturated Hydraulic Conductivity Pedotransfer Functions Using Machine Learning Methods

NASA Astrophysics Data System (ADS)

Araya, S. N.; Ghezzehei, T. A.

2017-12-01

Saturated hydraulic conductivity (Ks) is one of the fundamental hydraulic properties of soils. Its measurement, however, is cumbersome and instead pedotransfer functions (PTFs) are often used to estimate it. Despite a lot of progress over the years, generic PTFs that estimate hydraulic conductivity generally don't have a good performance. We develop significantly improved PTFs by applying state of the art machine learning techniques coupled with high-performance computing on a large database of over 20,000 soils—USKSAT and the Florida Soil Characterization databases. We compared the performance of four machine learning algorithms (k-nearest neighbors, gradient boosted model, support vector machine, and relevance vector machine) and evaluated the relative importance of several soil properties in explaining Ks. An attempt is also made to better account for soil structural properties; we evaluated the importance of variables derived from transformations of soil water retention characteristics and other soil properties. The gradient boosted models gave the best performance with root mean square errors less than 0.7 and mean errors in the order of 0.01 on a log scale of Ks [cm/h]. The effective particle size, D10, was found to be the single most important predictor. Other important predictors included percent clay, bulk density, organic carbon percent, coefficient of uniformity and values derived from water retention characteristics. Model performances were consistently better for Ks values greater than 10 cm/h. This study maximizes the extraction of information from a large database to develop generic machine learning based PTFs to estimate Ks. The study also evaluates the importance of various soil properties and their transformations in explaining Ks.

Comparison of the NCI open database with seven large chemical structural databases.

PubMed

Voigt, J H; Bienfait, B; Wang, S; Nicklaus, M C

2001-01-01

Eight large chemical databases have been analyzed and compared to each other. Central to this comparison is the open National Cancer Institute (NCI) database, consisting of approximately 250 000 structures. The other databases analyzed are the Available Chemicals Directory ("ACD," from MDL, release 1.99, 3D-version); the ChemACX ("ACX," from CamSoft, Version 4.5); the Maybridge Catalog and the Asinex database (both as distributed by CamSoft as part of ChemInfo 4.5); the Sigma-Aldrich Catalog (CD-ROM, 1999 Version); the World Drug Index ("WDI," Derwent, version 1999.03); and the organic part of the Cambridge Crystallographic Database ("CSD," from Cambridge Crystallographic Data Center, 1999 Version 5.18). The database properties analyzed are internal duplication rates; compounds unique to each database; cumulative occurrence of compounds in an increasing number of databases; overlap of identical compounds between two databases; similarity overlap; diversity; and others. The crystallographic database CSD and the WDI show somewhat less overlap with the other databases than those with each other. In particular the collections of commercial compounds and compilations of vendor catalogs have a substantial degree of overlap among each other. Still, no database is completely a subset of any other, and each appears to have its own niche and thus "raison d'être". The NCI database has by far the highest number of compounds that are unique to it. Approximately 200 000 of the NCI structures were not found in any of the other analyzed databases.

Enhancement to Hitran to Support the NASA EOS Program

NASA Technical Reports Server (NTRS)

Kirby, Kate P.; Rothman, Laurence S.

1998-01-01

The HITRAN molecular database has been enhanced with the object of providing improved capabilities for the EOS program scientists. HITRAN itself is the database of high-resolution line parameters of gaseous species expected to be observed by the EOS program in its remote sensing activities. The database is part of a larger compilation that includes IR cross-sections, aerosol indices of refraction, and software for filtering and plotting portions of the database. These properties have also been improved. The software has been advanced in order to work on multiple platforms. Besides the delivery of the compilation on CD-ROM, the effort has been directed toward making timely access of data and software on the world wide web.

How to ensure sustainable interoperability in heterogeneous distributed systems through architectural approach.

PubMed

Pape-Haugaard, Louise; Frank, Lars

2011-01-01

A major obstacle in ensuring ubiquitous information is the utilization of heterogeneous systems in eHealth. The objective in this paper is to illustrate how an architecture for distributed eHealth databases can be designed without lacking the characteristic features of traditional sustainable databases. The approach is firstly to explain traditional architecture in central and homogeneous distributed database computing, followed by a possible approach to use an architectural framework to obtain sustainability across disparate systems i.e. heterogeneous databases, concluded with a discussion. It is seen that through a method of using relaxed ACID properties on a service-oriented architecture it is possible to achieve data consistency which is essential when ensuring sustainable interoperability.

Enhancement to HITRAN to Support the NASA EOS Program

NASA Technical Reports Server (NTRS)

Kirby, Kate P.; Rothman, Laurence S.

1999-01-01

The HITRAN molecular database has been enhanced with the object of providing improved capabilities for the EOS program scientists. HITRAN itself is the database of high-resolution line parameters of gaseous species expected to be observed by the EOS program in its remote sensing activities. The database is part of a larger compilation that includes IR cross-sections, aerosol indices of refraction, and software for filtering and plotting portions of the database. These properties have also been improved. The software has been advanced in order to work on multiple platforms. Besides the delivery of the compilation on CD-ROM, the effort has been directed toward making timely access of data and software on the world wide web.

WebBee: A Platform for Secure Coordination and Communication in Crisis Scenarios

DTIC Science & Technology

2008-04-16

implemented through database triggers. The Webbee Database Server contains an Information Server, which is a Postgres database with PostGIS [5] extension...sends it to the target user. The heavy lifting for this mechanism is done through an extension of Postgres triggers (Figures 6.1 and 6.2), resulting...in fewer queries and better performance. Trigger support in Postgres is table-based and comparatively primitive: with n table triggers, an update

Information model construction of MES oriented to mechanical blanking workshop

NASA Astrophysics Data System (ADS)

Wang, Jin-bo; Wang, Jin-ye; Yue, Yan-fang; Yao, Xue-min

2016-11-01

Manufacturing Execution System (MES) is one of the crucial technologies to implement informatization management in manufacturing enterprises, and the construction of its information model is the base of MES database development. Basis on the analysis of the manufacturing process information in mechanical blanking workshop and the information requirement of MES every function module, the IDEF1X method was adopted to construct the information model of MES oriented to mechanical blanking workshop, and a detailed description of the data structure feature included in MES every function module and their logical relationship was given from the point of view of information relationship, which laid the foundation for the design of MES database.

Development of an Engineering Soil Database

DTIC Science & Technology

2017-12-27

systems such as agricultural and geological soil classifications and soil parameters. Tier 3 Data were converted into equivalent USCS classification...14 2.7 U.S. Department of Agriculture (USDA) textural soil classification ............................ 16 2.7.1 Properties of USDA textural...Defense ERDC U.S. Army Engineer Research and Development Center ESDB European Soil Database FAO Food and Agriculture Organization (of the United

Fatigue Crack Growth Database for Damage Tolerance Analysis

NASA Technical Reports Server (NTRS)

Forman, R. G.; Shivakumar, V.; Cardinal, J. W.; Williams, L. C.; McKeighan, P. C.

2005-01-01

The objective of this project was to begin the process of developing a fatigue crack growth database (FCGD) of metallic materials for use in damage tolerance analysis of aircraft structure. For this initial effort, crack growth rate data in the NASGRO (Registered trademark) database, the United States Air Force Damage Tolerant Design Handbook, and other publicly available sources were examined and used to develop a database that characterizes crack growth behavior for specific applications (materials). The focus of this effort was on materials for general commercial aircraft applications, including large transport airplanes, small transport commuter airplanes, general aviation airplanes, and rotorcraft. The end products of this project are the FCGD software and this report. The specific goal of this effort was to present fatigue crack growth data in three usable formats: (1) NASGRO equation parameters, (2) Walker equation parameters, and (3) tabular data points. The development of this FCGD will begin the process of developing a consistent set of standard fatigue crack growth material properties. It is envisioned that the end product of the process will be a general repository for credible and well-documented fracture properties that may be used as a default standard in damage tolerance analyses.

A theoretical-electron-density databank using a model of real and virtual spherical atoms.

PubMed

Nassour, Ayoub; Domagala, Slawomir; Guillot, Benoit; Leduc, Theo; Lecomte, Claude; Jelsch, Christian

2017-08-01

A database describing the electron density of common chemical groups using combinations of real and virtual spherical atoms is proposed, as an alternative to the multipolar atom modelling of the molecular charge density. Theoretical structure factors were computed from periodic density functional theory calculations on 38 crystal structures of small molecules and the charge density was subsequently refined using a density model based on real spherical atoms and additional dummy charges on the covalent bonds and on electron lone-pair sites. The electron-density parameters of real and dummy atoms present in a similar chemical environment were averaged on all the molecules studied to build a database of transferable spherical atoms. Compared with the now-popular databases of transferable multipolar parameters, the spherical charge modelling needs fewer parameters to describe the molecular electron density and can be more easily incorporated in molecular modelling software for the computation of electrostatic properties. The construction method of the database is described. In order to analyse to what extent this modelling method can be used to derive meaningful molecular properties, it has been applied to the urea molecule and to biotin/streptavidin, a protein/ligand complex.

ACToR Chemical Structure processing using Open Source ...

EPA Pesticide Factsheets

ACToR (Aggregated Computational Toxicology Resource) is a centralized database repository developed by the National Center for Computational Toxicology (NCCT) at the U.S. Environmental Protection Agency (EPA). Free and open source tools were used to compile toxicity data from over 1,950 public sources. ACToR contains chemical structure information and toxicological data for over 558,000 unique chemicals. The database primarily includes data from NCCT research programs, in vivo toxicity data from ToxRef, human exposure data from ExpoCast, high-throughput screening data from ToxCast and high quality chemical structure information from the EPA DSSTox program. The DSSTox database is a chemical structure inventory for the NCCT programs and currently has about 16,000 unique structures. Included are also data from PubChem, ChemSpider, USDA, FDA, NIH and several other public data sources. ACToR has been a resource to various international and national research groups. Most of our recent efforts on ACToR are focused on improving the structural identifiers and Physico-Chemical properties of the chemicals in the database. Organizing this huge collection of data and improving the chemical structure quality of the database has posed some major challenges. Workflows have been developed to process structures, calculate chemical properties and identify relationships between CAS numbers. The Structure processing workflow integrates web services (PubChem and NIH NCI Cactus) to d

Integration of immunological aspects in the European Human Embryonic Stem Cell Registry.

PubMed

Borstlap, Joeri; Kurtz, Andreas

2008-05-01

The immunological properties of stem cells are of increasing importance in regenerative medicine. Immunomodulatory mechanisms seem to play an important role not only with respect to the understanding of underlying mechanisms of autologous versus allogenic therapeutic approaches, but also for endogeneous tissue regeneration. The newly established European human embryonic stem cell registry (hESCreg) offers an international database for the registration, documentation and characterisation of human embryonic stem cells (hESC) and their use. By doing so, hESCreg aims to develop a model procedure for further standardisation efforts in the field of stem cell research and regenerative medicine, and eventually the registry may lead to a repository of therapy-related information. Currently the stem cell characterisation data acquired by the registry are divided into several categories such as cell derivation, culture conditions, genetic constitution, stem cell marker expression and degree of modification. This article describes immunological aspects of stem cell characterisation and explores the layout and relevance of a possible additional section to the hESCreg repository to include immunological characteristics of human embryonic stem cells.

Herbal Remedies for Coccidiosis Control: A Review of Plants, Compounds, and Anticoccidial Actions

PubMed Central

Muthamilselvan, Thangarasu; Wu, Yueh-Chen

2016-01-01

Coccidiosis is the bane of the poultry industry causing considerable economic loss. Eimeria species are known as protozoan parasites to cause morbidity and death in poultry. In addition to anticoccidial chemicals and vaccines, natural products are emerging as an alternative and complementary way to control avian coccidiosis. In this review, we update recent advances in the use of anticoccidial phytoextracts and phytocompounds, which cover 32 plants and 40 phytocompounds, following a database search in PubMed, Web of Science, and Google Scholar. Four plant products commercially available for coccidiosis are included and discussed. We also highlight the chemical and biological properties of the plants and compounds as related to coccidiosis control. Emphasis is placed on the modes of action of the anticoccidial plants and compounds such as interference with the life cycle of Eimeria, regulation of host immunity to Eimeria, growth regulation of gut bacteria, and/or multiple mechanisms. Biological actions, mechanisms, and prophylactic/therapeutic potential of the compounds and extracts of plant origin in coccidiosis are summarized and discussed. PMID:27429634

Design and Establishment of Quality Model of Fundamental Geographic Information Database

NASA Astrophysics Data System (ADS)

Ma, W.; Zhang, J.; Zhao, Y.; Zhang, P.; Dang, Y.; Zhao, T.

2018-04-01

In order to make the quality evaluation for the Fundamental Geographic Information Databases(FGIDB) more comprehensive, objective and accurate, this paper studies and establishes a quality model of FGIDB, which formed by the standardization of database construction and quality control, the conformity of data set quality and the functionality of database management system, and also designs the overall principles, contents and methods of the quality evaluation for FGIDB, providing the basis and reference for carry out quality control and quality evaluation for FGIDB. This paper designs the quality elements, evaluation items and properties of the Fundamental Geographic Information Database gradually based on the quality model framework. Connected organically, these quality elements and evaluation items constitute the quality model of the Fundamental Geographic Information Database. This model is the foundation for the quality demand stipulation and quality evaluation of the Fundamental Geographic Information Database, and is of great significance on the quality assurance in the design and development stage, the demand formulation in the testing evaluation stage, and the standard system construction for quality evaluation technology of the Fundamental Geographic Information Database.

Extension of the COG and arCOG databases by amino acid and nucleotide sequences

PubMed Central

Meereis, Florian; Kaufmann, Michael

2008-01-01

Background The current versions of the COG and arCOG databases, both excellent frameworks for studies in comparative and functional genomics, do not contain the nucleotide sequences corresponding to their protein or protein domain entries. Results Using sequence information obtained from GenBank flat files covering the completely sequenced genomes of the COG and arCOG databases, we constructed NUCOCOG (nucleotide sequences containing COG databases) as an extended version including all nucleotide sequences and in addition the amino acid sequences originally utilized to construct the current COG and arCOG databases. We make available three comprehensive single XML files containing the complete databases including all sequence information. In addition, we provide a web interface as a utility suitable to browse the NUCOCOG database for sequence retrieval. The database is accessible at . Conclusion NUCOCOG offers the possibility to analyze any sequence related property in the context of the COG and arCOG framework simply by using script languages such as PERL applied to a large but single XML document. PMID:19014535

Active in-database processing to support ambient assisted living systems.

PubMed

de Morais, Wagner O; Lundström, Jens; Wickström, Nicholas

2014-08-12

As an alternative to the existing software architectures that underpin the development of smart homes and ambient assisted living (AAL) systems, this work presents a database-centric architecture that takes advantage of active databases and in-database processing. Current platforms supporting AAL systems use database management systems (DBMSs) exclusively for data storage. Active databases employ database triggers to detect and react to events taking place inside or outside of the database. DBMSs can be extended with stored procedures and functions that enable in-database processing. This means that the data processing is integrated and performed within the DBMS. The feasibility and flexibility of the proposed approach were demonstrated with the implementation of three distinct AAL services. The active database was used to detect bed-exits and to discover common room transitions and deviations during the night. In-database machine learning methods were used to model early night behaviors. Consequently, active in-database processing avoids transferring sensitive data outside the database, and this improves performance, security and privacy. Furthermore, centralizing the computation into the DBMS facilitates code reuse, adaptation and maintenance. These are important system properties that take into account the evolving heterogeneity of users, their needs and the devices that are characteristic of smart homes and AAL systems. Therefore, DBMSs can provide capabilities to address requirements for scalability, security, privacy, dependability and personalization in applications of smart environments in healthcare.

Active In-Database Processing to Support Ambient Assisted Living Systems

PubMed Central

de Morais, Wagner O.; Lundström, Jens; Wickström, Nicholas

2014-01-01

As an alternative to the existing software architectures that underpin the development of smart homes and ambient assisted living (AAL) systems, this work presents a database-centric architecture that takes advantage of active databases and in-database processing. Current platforms supporting AAL systems use database management systems (DBMSs) exclusively for data storage. Active databases employ database triggers to detect and react to events taking place inside or outside of the database. DBMSs can be extended with stored procedures and functions that enable in-database processing. This means that the data processing is integrated and performed within the DBMS. The feasibility and flexibility of the proposed approach were demonstrated with the implementation of three distinct AAL services. The active database was used to detect bed-exits and to discover common room transitions and deviations during the night. In-database machine learning methods were used to model early night behaviors. Consequently, active in-database processing avoids transferring sensitive data outside the database, and this improves performance, security and privacy. Furthermore, centralizing the computation into the DBMS facilitates code reuse, adaptation and maintenance. These are important system properties that take into account the evolving heterogeneity of users, their needs and the devices that are characteristic of smart homes and AAL systems. Therefore, DBMSs can provide capabilities to address requirements for scalability, security, privacy, dependability and personalization in applications of smart environments in healthcare. PMID:25120164

41 CFR 102-84.15 - Why must I provide information for the Annual Real Property Inventory?

Code of Federal Regulations, 2014 CFR

2014-01-01

...; and (2) Establish information systems, implement inventory controls and conduct surveys, in accordance... Real Property Council, establish and maintain a single, comprehensive and descriptive database of all... each Executive agency such descriptive information, except for classified information, as the...

41 CFR 102-84.15 - Why must I provide information for the Annual Real Property Inventory?

Code of Federal Regulations, 2010 CFR

2010-07-01

...; and (2) Establish information systems, implement inventory controls and conduct surveys, in accordance... Real Property Council, establish and maintain a single, comprehensive and descriptive database of all... each Executive agency such descriptive information, except for classified information, as the...

41 CFR 102-84.15 - Why must I provide information for the Annual Real Property Inventory?

Code of Federal Regulations, 2013 CFR

2013-07-01

...; and (2) Establish information systems, implement inventory controls and conduct surveys, in accordance... Real Property Council, establish and maintain a single, comprehensive and descriptive database of all... each Executive agency such descriptive information, except for classified information, as the...

41 CFR 102-84.15 - Why must I provide information for the Annual Real Property Inventory?

Code of Federal Regulations, 2012 CFR

2012-01-01

...; and (2) Establish information systems, implement inventory controls and conduct surveys, in accordance... Real Property Council, establish and maintain a single, comprehensive and descriptive database of all... each Executive agency such descriptive information, except for classified information, as the...

41 CFR 102-84.15 - Why must I provide information for the Annual Real Property Inventory?

Code of Federal Regulations, 2011 CFR

2011-01-01

...; and (2) Establish information systems, implement inventory controls and conduct surveys, in accordance... Real Property Council, establish and maintain a single, comprehensive and descriptive database of all... each Executive agency such descriptive information, except for classified information, as the...

Chemical Transformation System: Cloud Based Cheminformatic Services to Support Integrated Environmental Modeling (proceedings)

EPA Science Inventory

Integrated Environmental Modeling (IEM) systems that account for the fate/transport of organics frequently require physicochemical properties as well as transformation products. A myriad of chemical property databases exist but these can be difficult to access and often do not co...

Towards novel organic high-Tc superconductors: Data mining using density of states similarity search

NASA Astrophysics Data System (ADS)

Geilhufe, R. Matthias; Borysov, Stanislav S.; Kalpakchi, Dmytro; Balatsky, Alexander V.

2018-02-01

Identifying novel functional materials with desired key properties is an important part of bridging the gap between fundamental research and technological advancement. In this context, high-throughput calculations combined with data-mining techniques highly accelerated this process in different areas of research during the past years. The strength of a data-driven approach for materials prediction lies in narrowing down the search space of thousands of materials to a subset of prospective candidates. Recently, the open-access organic materials database OMDB was released providing electronic structure data for thousands of previously synthesized three-dimensional organic crystals. Based on the OMDB, we report about the implementation of a novel density of states similarity search tool which is capable of retrieving materials with similar density of states to a reference material. The tool is based on the approximate nearest neighbor algorithm as implemented in the ANNOY library and can be applied via the OMDB web interface. The approach presented here is wide ranging and can be applied to various problems where the density of states is responsible for certain key properties of a material. As the first application, we report about materials exhibiting electronic structure similarities to the aromatic hydrocarbon p-terphenyl which was recently discussed as a potential organic high-temperature superconductor exhibiting a transition temperature in the order of 120 K under strong potassium doping. Although the mechanism driving the remarkable transition temperature remains under debate, we argue that the density of states, reflecting the electronic structure of a material, might serve as a crucial ingredient for the observed high Tc. To provide candidates which might exhibit comparable properties, we present 15 purely organic materials with similar features to p-terphenyl within the electronic structure, which also tend to have structural similarities with p-terphenyl such as space group symmetries, chemical composition, and molecular structure. The experimental verification of these candidates might lead to a better understanding of the underlying mechanism in case similar superconducting properties are revealed.

Investigation of the influence of the composition on mechanical properties of polylactide

NASA Astrophysics Data System (ADS)

Baikin, A. S.; Sevostyanov, M. A.; Nasakina, E. O.; Sergienko, K. V.; Kaplan, M. A.; Konushkin, S. V.; Kolmakova, A. A.; Yakubov, A. D.; Kolmakov, A. G.

2018-04-01

In this paper we describe the creation of films from polylactide. Studied the mechanical properties of developed polymer films of polylactide. The effect of the molecular weight of polylactide on the mechanical properties of the resulting polymer films is shown. The dependence of the mechanical properties of polylactide films on the polymer concentration in chloroform was studied. The possibility of creating biodegradable films with specified mechanical properties is shown.

A Computer Code for Dynamic Stress Analysis of Media-Structure Problems with Nonlinearities (SAMSON). Volume III. User’s Manual.

DTIC Science & Technology

NONLINEAR SYSTEMS, LINEAR SYSTEMS, SUBROUTINES , SOIL MECHANICS, INTERFACES, DYNAMICS, LOADS(FORCES), FORCE(MECHANICS), DAMPING, ACCELERATION, ELASTIC...PROPERTIES, PLASTIC PROPERTIES, CRACKS , REINFORCING MATERIALS , COMPOSITE MATERIALS , FAILURE(MECHANICS), MECHANICAL PROPERTIES, INSTRUCTION MANUALS, DIGITAL COMPUTERS...STRESSES, *COMPUTER PROGRAMS), (*STRUCTURES, STRESSES), (*DATA PROCESSING, STRUCTURAL PROPERTIES), SOILS , STRAIN(MECHANICS), MATHEMATICAL MODELS

A single-molecule diode

NASA Astrophysics Data System (ADS)

Elbing, Mark; Ochs, Rolf; Koentopp, Max; Fischer, Matthias; von Hänisch, Carsten; Weigend, Florian; Evers, Ferdinand; Weber, Heiko B.; Mayor, Marcel

2005-06-01

We have designed and synthesized a molecular rod that consists of two weakly coupled electronic π -systems with mutually shifted energy levels. The asymmetry thus implied manifests itself in a current-voltage characteristic with pronounced dependence on the sign of the bias voltage, which makes the molecule a prototype for a molecular diode. The individual molecules were immobilized by sulfur-gold bonds between both electrodes of a mechanically controlled break junction, and their electronic transport properties have been investigated. The results indeed show diode-like current-voltage characteristics. In contrast to that, control experiments with symmetric molecular rods consisting of two identical π -systems did not show significant asymmetries in the transport properties. To investigate the underlying transport mechanism, phenomenological arguments are combined with calculations based on density functional theory. The theoretical analysis suggests that the bias dependence of the polarizability of the molecule feeds back into the current leading to an asymmetric shape of the current-voltage characteristics, similar to the phenomena in a semiconductor diode. Author contributions: F.E., H.B.W., and M.M. designed research; M.E., R.O., M.K., M.F., F.E., H.B.W., and M.M. performed research; M.E., R.O., M.K., M.F., C.v.H., F.W., F.E., H.B.W., and M.M. contributed new reagents/analytic tools; M.E., R.O., M.K., C.v.H., F.E., H.B.W., and M.M. analyzed data; and F.E., H.B.W., and M.M. wrote the paper.This paper was submitted directly (Track II) to the PNAS office.Abbreviations: A, acceptor; D, donor; MCB, mechanically controlled break junction.Data deposition: The atomic coordinates have been deposited in the Cambridge Structural Database, Cambridge Crystallographic Data Centre, Cambridge CB2 1EZ, United Kingdom (CSD reference no. 241632).

Characterizing the macro and micro mechanical properties of scaffolds for rotator cuff repair.

PubMed

Smith, Richard D J; Zargar, Nasim; Brown, Cameron P; Nagra, Navraj S; Dakin, Stephanie G; Snelling, Sarah J B; Hakimi, Osnat; Carr, Andrew

2017-11-01

Retearing after rotator cuff surgery is a major clinical problem. Numerous scaffolds are being used to try to reduce retear rates. However, few have demonstrated clinical efficacy. We hypothesize that this lack of efficacy is due to insufficient mechanical properties. Therefore, we compared the macro and nano/micro mechanical properties of 7 commercially available scaffolds to those of the human supraspinatus tendons, whose function they seek to restore. The clinically approved scaffolds tested were X-Repair, LARS ligament, Poly-Tape, BioFiber, GraftJacket, Permacol, and Conexa. Fresh frozen cadaveric human supraspinatus tendon samples were used. Macro mechanical properties were determined through tensile testing and rheometry. Scanning probe microscopy and scanning electron microscopy were performed to assess properties of materials at the nano/microscale (morphology, Young modulus, loss tangent). None of the scaffolds tested adequately approximated both the macro and micro mechanical properties of human supraspinatus tendon. Macroscale mechanical properties were insufficient to restore load-bearing function. The best-performing scaffolds on the macroscale (X-Repair, LARS ligament) had poor nano/microscale properties. Scaffolds approximating tendon properties on the nano/microscale (BioFiber, biologic scaffolds) had poor macroscale properties. Existing scaffolds failed to adequately approximate the mechanical properties of human supraspinatus tendons. Combining the macroscopic mechanical properties of a synthetic scaffold with the micro mechanical properties of biologic scaffold could better achieve this goal. Future work should focus on advancing techniques to create new scaffolds with more desirable mechanical properties. This may help improve outcomes for rotator cuff surgery patients. Copyright © 2017 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

Development and Uses of Offline and Web-Searchable Metabolism Databases - The Case of Benzo[a]pyrene.

PubMed

Rendic, Slobodan P; Guengerich, Frederick P

2018-01-01

The present work describes development of offline and web-searchable metabolism databases for drugs, other chemicals, and physiological compounds using human and model species, prompted by the large amount of data published after year 1990. The intent was to provide a rapid and accurate approach to published data to be applied both in science and to assist therapy. Searches for the data were done using the Pub Med database, accessing the Medline database of references and abstracts. In addition, data presented at scientific conferences (e.g., ISSX conferences) are included covering the publishing period beginning with the year 1976. Application of the data is illustrated by the properties of benzo[a]pyrene (B[a]P) and its metabolites. Analysis show higher activity of P450 1A1 for activation of the (-)- isomer of trans-B[a]P-7,8-diol, while P4501B1 exerts higher activity for the (+)- isomer. P450 1A2 showed equally low activity in the metabolic activation of both isomers. The information collected in the databases is applicable in prediction of metabolic drug-drug and/or drug-chemical interactions in clinical and environmental studies. The data on the metabolism of searched compound (exemplified by benzo[a]pyrene and its metabolites) also indicate toxicological properties of the products of specific reactions. The offline and web-searchable databases had wide range of applications (e.g. computer assisted drug design and development, optimization of clinical therapy, toxicological applications) and adjustment in everyday life styles. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

The TERRA-PNW Dataset: A New Source for Standardized Plant Trait, Forest Carbon Cycling, and Soil Properties Measurements from the Pacific Northwest US, 2000-2014.

NASA Astrophysics Data System (ADS)

Berner, L. T.; Law, B. E.

2015-12-01

Plant traits include physiological, morphological, and biogeochemical characteristics that in combination determine a species sensitivity to environmental conditions. Standardized, co-located, and geo-referenced species- and plot-level measurements are needed to address variation in species sensitivity to climate change impacts and for ecosystem process model development, parameterization and testing. We present a new database of plant trait, forest carbon cycling, and soil property measurements derived from multiple TERRA-PNW projects in the Pacific Northwest US, spanning 2000-2014. The database includes measurements from over 200 forest plots across Oregon and northern California, where the data were explicitly collected for scaling and modeling regional terrestrial carbon processes with models such as Biome-BGC and the Community Land Model. Some of the data are co-located at AmeriFlux sites in the region. The database currently contains leaf trait measurements (specific leaf area, leaf longevity, leaf carbon and nitrogen) from over 1,200 branch samples and 30 species, as well as plot-level biomass and productivity components, and soil carbon and nitrogen. Standardized protocols were used across projects, as summarized in an FAO protocols document. The database continues to expand and will include agricultural crops. The database will be hosted by the Oak Ridge National Laboratory (ORLN) Distributed Active Archive Center (DAAC). We hope that other regional databases will become publicly available to help enable Earth System Modeling to simulate species-level sensitivity to climate at regional to global scales.

Information persistence using XML database technology

NASA Astrophysics Data System (ADS)

Clark, Thomas A.; Lipa, Brian E. G.; Macera, Anthony R.; Staskevich, Gennady R.

2005-05-01

The Joint Battlespace Infosphere (JBI) Information Management (IM) services provide information exchange and persistence capabilities that support tailored, dynamic, and timely access to required information, enabling near real-time planning, control, and execution for DoD decision making. JBI IM services will be built on a substrate of network centric core enterprise services and when transitioned, will establish an interoperable information space that aggregates, integrates, fuses, and intelligently disseminates relevant information to support effective warfighter business processes. This virtual information space provides individual users with information tailored to their specific functional responsibilities and provides a highly tailored repository of, or access to, information that is designed to support a specific Community of Interest (COI), geographic area or mission. Critical to effective operation of JBI IM services is the implementation of repositories, where data, represented as information, is represented and persisted for quick and easy retrieval. This paper will address information representation, persistence and retrieval using existing database technologies to manage structured data in Extensible Markup Language (XML) format as well as unstructured data in an IM services-oriented environment. Three basic categories of database technologies will be compared and contrasted: Relational, XML-Enabled, and Native XML. These technologies have diverse properties such as maturity, performance, query language specifications, indexing, and retrieval methods. We will describe our application of these evolving technologies within the context of a JBI Reference Implementation (RI) by providing some hopefully insightful anecdotes and lessons learned along the way. This paper will also outline future directions, promising technologies and emerging COTS products that can offer more powerful information management representations, better persistence mechanisms and improved retrieval techniques.

Bioinformatical and in vitro approaches to essential oil-induced matrix metalloproteinase inhibition.

PubMed

Zeidán-Chuliá, Fares; Rybarczyk-Filho, José L; Gursoy, Mervi; Könönen, Eija; Uitto, Veli-Jukka; Gursoy, Orhan V; Cakmakci, Lutfu; Moreira, José C F; Gursoy, Ulvi K

2012-06-01

Essential oils carry diverse antimicrobial and anti-enzymatic properties. Matrix metalloproteinase (MMP) inhibition characteristics of Salvia fruticosa Miller (Labiatae), Myrtus communis Linnaeus (Myrtaceae), Juniperus communis Linnaeus (Cupressaceae), and Lavandula stoechas Linnaeus (Labiatae) essential oils were evaluated. Chemical compositions of the essential oils were analyzed by gas chromatography-mass spectrometry (GC-MS). Bioinformatical database analysis was performed by STRING 9.0 and STITCH 2.0 databases, and ViaComplex software. Antibacterial activity of essential oils against periodontopathogens was tested by the disc diffusion assay and the agar dilution method. Cellular proliferation and cytotoxicity were determined by commercial kits. MMP-2 and MMP-9 activities were measured by zymography. Bioinformatical database analyses, under a score of 0.4 (medium) and a prior correction of 0.0, gave rise to a model of protein (MMPs and tissue inhibitors of metalloproteinases) vs. chemical (essential oil components) interaction network; where MMPs and essential oil components interconnected through interaction with hydroxyl radicals, molecular oxygen, and hydrogen peroxide. Components from L. stoechas potentially displayed a higher grade of interaction with MMP-2 and -9. Although antibacterial and growth inhibitory effects of essential oils on the tested periodontopathogens were limited, all of them inhibited MMP-2 in vitro at concentrations of 1 and 5 µL/mL. Moreover, same concentrations of M. communis and L. stoechas also inhibited MMP-9. MMP-inhibiting concentrations of essential oils were not cytotoxic against keratinocytes. We propose essential oils of being useful therapeutic agents as MMP inhibitors through a mechanism possibly based on their antioxidant potential.

New Powder Diffraction File (PDF-4) in relational database format: advantages and data-mining capabilities.

PubMed

Kabekkodu, Soorya N; Faber, John; Fawcett, Tim

2002-06-01

The International Centre for Diffraction Data (ICDD) is responding to the changing needs in powder diffraction and materials analysis by developing the Powder Diffraction File (PDF) in a very flexible relational database (RDB) format. The PDF now contains 136,895 powder diffraction patterns. In this paper, an attempt is made to give an overview of the PDF-4, search/match methods and the advantages of having the PDF-4 in RDB format. Some case studies have been carried out to search for crystallization trends, properties, frequencies of space groups and prototype structures. These studies give a good understanding of the basic structural aspects of classes of compounds present in the database. The present paper also reports data-mining techniques and demonstrates the power of a relational database over the traditional (flat-file) database structures.

The HITRAN 2008 Molecular Spectroscopic Database

NASA Technical Reports Server (NTRS)

Rothman, Laurence S.; Gordon, Iouli E.; Barbe, Alain; Benner, D. Chris; Bernath, Peter F.; Birk, Manfred; Boudon, V.; Brown, Linda R.; Campargue, Alain; Champion, J.-P.;

Correlation of microstructure and thermo-mechanical properties of a novel hydrogen transport membrane

NASA Astrophysics Data System (ADS)

Zhang, Yongjun

A key part of the FutureGen concept is to support the production of hydrogen to fuel a "hydrogen economy," with the use of clean burning hydrogen in power-producing fuel cells, as well as for use as a transportation fuel. One of the key technical barriers to FutureGen deployment is reliable and efficient hydrogen separation technology. Most Hydrogen Transport Membrane (HTM) research currently focuses on separation technology and hydrogen flux characterization. No significant work has been performed on thermo-mechanical properties of HTMs. The objective of the thesis is to understand the structure-property correlation of HTM and to characterize (1) thermo mechanical properties under different reducing environments and thermal cycles (thermal shock), and (2) evaluate the stability of the novel HTM material. A novel HTM cermet bulk sample was characterized for its physical and mechanical properties at both room temperature and at elevated temperature up to 1000°C. Micro-structural properties and residual stresses were evaluated in order to understand the changing mechanism of the microstructure and its effects on the mechanical properties of materials. A correlation of the microstructural and thermo mechanical properties of the HTM system was established for both HTM and the substrate material. Mechanical properties of both selected structural ceramics and the novel HTM cermet bulk sample are affected mainly by porosity and microstructural features, such as grain size and pore size-distribution. The Young's Modulus (E-value) is positively correlated to the flexural strength for materials with similar crystallographic structure. However, for different crystallographic materials, physical properties are independent of mechanical properties. Microstructural properties, particularly, grain size and crystallographic structure, and thermodynamic properties are the main factors affecting the mechanical properties at both room and high temperatures. The HTM cermet behaves more like an elastic material at room temperature and as a ductile material at temperature above 850°C. The oxidation and the plasticity of Pd phase mainly affected the mechanical properties of HTM cermet at high temperature, also as a result of thermal cycling. Residual stress induced in the HTM by thermo cycles also plays a very critical role in defining the thermo-mechanical properties.

Mechanical and water barrier properties of isolated soy protein composite edible films as affected by carvacrol and cinnamaldehyde micro and nanoemulsions

USDA-ARS?s Scientific Manuscript database

Edible films may be used in food packaging, for which they must deliver good barrier and mechanical properties. Films based on proteins have good gas barrier and mechanical properties, but poor water barrier properties. Films made from lipids have good water barrier properties, but poor mechanical p...

48 CFR 32.1110 - Solicitation provision and contract clauses.

Code of Federal Regulations, 2010 CFR

2010-10-01

... database and maintain registration until final payment, unless— (i) Payment will be made through a third... the contractor to be registered in the CCR database. (ii)(A) If permitted by agency procedures, the... authorized, in accordance with 32.1106, to use a nondomestic EFT mechanism, the contracting officer shall...

OOPS! Retractions, Corrections, and Amplifications in Online Environments.

ERIC Educational Resources Information Center

Ojala, Marydee

1996-01-01

Examines the practice and implications of issuing corrections, retractions, and amplifications in online databases. All database producers do not provide mechanisms to accommodate retractions and corrections, and it can be difficult for a searcher to find evidence of error correction. Sidebars illustrate both the lack of and evidence of…

Knowledge Creation through User-Guided Data Mining: A Database Case

ERIC Educational Resources Information Center

Steiger, David M.

2008-01-01

This case focuses on learning by applying the four integrating mechanisms of Nonaka's knowledge creation theory: socialization, externalization, combination and internalization. In general, such knowledge creation and internalization (i.e., learning) is critical to database students since they will be expected to apply their specialized database…

A UML Profile for Developing Databases that Conform to the Third Manifesto

NASA Astrophysics Data System (ADS)

Eessaar, Erki

The Third Manifesto (TTM) presents the principles of a relational database language that is free of deficiencies and ambiguities of SQL. There are database management systems that are created according to TTM. Developers need tools that support the development of databases by using these database management systems. UML is a widely used visual modeling language. It provides built-in extension mechanism that makes it possible to extend UML by creating profiles. In this paper, we introduce a UML profile for designing databases that correspond to the rules of TTM. We created the first version of the profile by translating existing profiles of SQL database design. After that, we extended and improved the profile. We implemented the profile by using UML CASE system StarUML™. We present an example of using the new profile. In addition, we describe problems that occurred during the profile development.

Grindability and mechanical property of ceramics

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

Guo, Changsheng; Chand, R.H.

1996-12-31

For cost-effective ceramic machining, material-specific machining methodology is needed. This requires characterizing ceramics from machining view point. In this paper, a preliminary study of the correlation between grindability and mechanical properties is reported. Results indicate that there exists complex correlations between grindability and mechanical properties such as hardness, fracture toughness and elasticity. Some ceramics of similar mechanical properties have different grindabilities, which implies that it is possible to develop ceramics of both superior mechanical properties and good grindability.

Evaluation of Acoustic Propagation Paths into the Human Head

DTIC Science & Technology

2005-07-25

paths. A 3D finite-element solid mesh was constructed using a digital image database of an adult male head. Finite-element analysis was used to model the...air-borne sound pressure amplitude) via the alternate propagation paths. A 3D finite-element solid mesh was constructed using a digital image database ... database of an adult male head Coupled acoustic-mechanical finite-element analysis (FEA) was used to model the wave propagation through the fluid-solid

Study of nano mechanical properties polydimethylsiloxane (PDMS)/MWCNT composites

NASA Astrophysics Data System (ADS)

Murudkar, Vrishali; Gaonkar, Amita; Deshpande, V. D.; Mhaske, S. T.

2018-05-01

Polydimethylsiloxane (PDMS), a clear elastomer, is a common material used in many applications; but has poor mechanical properties. Carbon nano tubes (CNT) exhibit excellent mechanical properties & hence are used as filler in PDMS. It was found that the elastic modulus and strength of the PDMS/MWCNT nano composites were enhanced by adding MWCNT [1]. Through the nano indentation experiment, the hardness (H), the elastic modulus (E), and other mechanical properties can be determined from very small volumes of materials [2]; hence nano indentation is widely used to study mechanical properties. PDMS/MWCNT composites have enhanced mechanical properties over neat PDMS. FTIR analysis shows bonding between MWCNT and PDMS; which affects the mechanical properties. From AFM study it shows decreasing roughness for increasing MWCNT concentration. Surface morphology (SEM) study shows well dispersion of MWCNT into PDMS matrix.

The Alexandria library, a quantum-chemical database of molecular properties for force field development.

PubMed

Ghahremanpour, Mohammad M; van Maaren, Paul J; van der Spoel, David

2018-04-10

Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

The Alexandria library, a quantum-chemical database of molecular properties for force field development

NASA Astrophysics Data System (ADS)

Ghahremanpour, Mohammad M.; van Maaren, Paul J.; van der Spoel, David

2018-04-01

Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

The Far-Infrared Properties of the Most Isolated Galaxies

NASA Astrophysics Data System (ADS)

Lisenfeld, U.; Verdes-Montenegro, L.; Sulentic, J.; Leon, S.; Espada, D.; Bergond, G.; García, E.; Sabater, J.; Santander-Vela, J. D.; Verley, S.

2007-05-01

A long-standing question in galaxy evolution involves the role of nature (self-regulation) vs. nurture (environment) on the observed properties (and evolution) of galaxies. A collaboration centreed at the Instituto de Astrofisica de Andalucia (Granada, Spain) is trying to address this question by producing a observational database for a sample of 1050 isolated galaxies from the catalogue of Karachentseva (1973) with the overarching goal being the generation of a "zero-point" sample against which effects of environment on galaxies can be assessed. The AMIGA (Analysis of the Interstellar Medium of Isolated Galaxies) database (see www.iaa.es/AMIGA.html) will include optical, IR and radio line and continuum measures. The galaxies in the sample represent the most isolated galaxies in the local universe. In the present contribution, we will present the project, as well as the results of an analysis of the far-infrared (FIR) and molecular gas properties of this sample.

The study of data collection method for the plasma properties collection and evaluation system from web

NASA Astrophysics Data System (ADS)

Park, Jun-Hyoung; Song, Mi-Young; Plasma Fundamental Technology Research Team

2015-09-01

Plasma databases are necessarily required to compute the plasma parameters and high reliable databases are closely related with accuracy enhancement of simulations. Therefore, a major concern of plasma properties collection and evaluation system is to create a sustainable and useful research environment for plasma data. The system has a commitment to provide not only numerical data but also bibliographic data (including DOI information). Originally, our collection data methods were done by manual data search. In some cases, it took a long time to find data. We will be find data more automatically and quickly than legacy methods by crawling or search engine such as Lucene.

A Review on the Potential Use of Austenitic Stainless Steels in Nuclear Fusion Reactors

NASA Astrophysics Data System (ADS)

Şahin, Sümer; Übeyli, Mustafa

2008-12-01

Various engineering materials; austenitic stainless steels, ferritic/martensitic steels, vanadium alloys, refractory metals and composites have been suggested as candidate structural materials for nuclear fusion reactors. Among these structural materials, austenitic steels have an advantage of extensive technological database and lower cost compared to other non-ferrous candidates. Furthermore, they have also advantages of very good mechanical properties and fission operation experience. Moreover, modified austenitic stainless (Ni and Mo free) have relatively low residual radioactivity. Nevertheless, they can't withstand high neutron wall load which is required to get high power density in fusion reactors. On the other hand, a protective flowing liquid wall between plasma and solid first wall in these reactors can eliminate this restriction. This study presents an overview of austenitic stainless steels considered to be used in fusion reactors.

SPATIAL FOREST SOIL PROPERTIES FOR ECOLOGICAL MODELING IN THE WESTERN OREGON CASCADES

EPA Science Inventory

The ultimate objective of this work is to provide a spatially distributed database of soil properties to serve as inputs to model ecological processes in western forests at the landscape scale. The Central Western Oregon Cascades are rich in biodiversity and they are a fascinati...

Development of a Coupled Framework for Simulating Interactive Effects of Frozen Soil Hydrological Dynamics in Permafrost Regions

DTIC Science & Technology

2013-11-01

Permafrost Input Database Geology, Lithologic Data, Snow Cover, Air Temperature, Ground Temperatures, Vegetation Precipitation Soil Properties GIPL...be found in Nicolsky et al. (2007). Required input data include climate data, snow cover, soil thermal properties, lithological data, and vegetative

Influence of Flavonoids on Mechanism of Modulation of Insulin Secretion.

PubMed

Soares, Juliana Mikaelly Dias; Pereira Leal, Ana Ediléia Barbosa; Silva, Juliane Cabral; Almeida, Jackson R G S; de Oliveira, Helinando Pequeno

2017-01-01

The development of alternatives for insulin secretion control in vivo or in vitro represents an important aspect to be investigated. In this direction, natural products have been progressively explored with this aim. In particular, flavonoids are potential candidates to act as insulin secretagogue. To study the influence of flavonoid on overall modulation mechanisms of insulin secretion. The research was conducted in the following databases and platforms: PubMed, Scopus, ISI Web of Knowledge, SciELO, LILACS, and ScienceDirect, and the MeSH terms used for the search were flavonoids, flavones, islets of Langerhans, and insulin-secreting cells. Twelve articles were included and represent the basis of discussion on mechanisms of insulin secretion of flavonoids. Papers in ISI Web of Knowledge were in number of 1, Scopus 44, PubMed 264, ScienceDirect 511, and no papers from LILACS and SciELO databases. According to the literature, the majority of flavonoid subclasses can modulate insulin secretion through several pathways, in an indication that corresponding molecule is a potential candidate for active materials to be applied in the treatment of diabetes. The action of natural products on insulin secretion represents an important investigation topic due to their importance in the diabetes controlIn addition to their typical antioxidant properties, flavonoids contribute to the insulin secretionThe modulation of insulin secretion is induced by flavonoids according to different mechanisms. Abbreviations used: K ATP channels: ATP-sensitive K + channels, GLUT4: Glucose transporter 4, ERK1/2: Extracellular signal-regulated protein kinases 1 and 2, L-VDCCs: L-type voltage-dependent Ca +2 channels, GLUT1: Glucose transporter 1, AMPK: Adenosine monophosphate-activated protein kinase, PTP1B: Protein tyrosine phosphatase 1B, GLUT2: Glucose transporter 2, cAMP: Cyclic adenosine monophosphate, PKA: Protein kinase A, PTK: Protein tyrosine kinase, CaMK II: Ca 2+ /calmodulin-dependent protein kinase II, GSIS: Glucose-stimulated insulin secretion, Insig-1: Insulin-induced gene 1, IRS-2: Insulin receptor substrate 2, PDX-1: Pancreatic and duodenal homeobox 1, SREBP-1c: Sterol regulatory element binding protein-1c, DMC: Dihydroxy-6'-methoxy-3',5'-dimethylchalcone, GLP-1: Glucagon-like peptide-1, GLP-1R: Glucagon-like peptide 1 receptor.

A Web-Based GIS for Reporting Water Usage in the High Plains Underground Water Conservation District

NASA Astrophysics Data System (ADS)

Jia, M.; Deeds, N.; Winckler, M.

2012-12-01

The High Plains Underground Water Conservation District (HPWD) is the largest and oldest of the Texas water conservation districts, and oversees approximately 1.7 million irrigated acres. Recent rule changes have motivated HPWD to develop a more automated system to allow owners and operators to report well locations, meter locations, meter readings, the association between meters and wells, and contiguous acres. INTERA, Inc. has developed a web-based interactive system for HPWD water users to report water usage and for the district to better manage its water resources. The HPWD web management system utilizes state-of-the-art GIS techniques, including cloud-based Amazon EC2 virtual machine, ArcGIS Server, ArcSDE and ArcGIS Viewer for Flex, to support web-based water use management. The system enables users to navigate to their area of interest using a well-established base-map and perform a variety of operations and inquiries against their spatial features. The application currently has six components: user privilege management, property management, water meter registration, area registration, meter-well association and water use report. The system is composed of two main databases: spatial database and non-spatial database. With the help of Adobe Flex application at the front end and ArcGIS Server as the middle-ware, the spatial feature geometry and attributes update will be reflected immediately in the back end. As a result, property owners, along with the HPWD staff, collaborate together to weave the fabric of the spatial database. Interactions between the spatial and non-spatial databases are established by Windows Communication Foundation (WCF) services to record water-use report, user-property associations, owner-area associations, as well as meter-well associations. Mobile capabilities will be enabled in the near future for field workers to collect data and synchronize them to the spatial database. The entire solution is built on a highly scalable cloud server to dynamically allocate the computational resources so as to reduce the cost on security and hardware maintenance. In addition to the default capabilities provided by ESRI, customizations include 1) enabling interactions between spatial and non-spatial databases, 2) providing role-based feature editing, 3) dynamically filtering spatial features on the map based on user accounts and 4) comprehensive data validation.

Multiresolution MR elastography using nonlinear inversion

PubMed Central

McGarry, M. D. J.; Van Houten, E. E. W.; Johnson, C. L.; Georgiadis, J. G.; Sutton, B. P.; Weaver, J. B.; Paulsen, K. D.

2012-01-01

Purpose: Nonlinear inversion (NLI) in MR elastography requires discretization of the displacement field for a finite element (FE) solution of the “forward problem”, and discretization of the unknown mechanical property field for the iterative solution of the “inverse problem”. The resolution requirements for these two discretizations are different: the forward problem requires sufficient resolution of the displacement FE mesh to ensure convergence, whereas lowering the mechanical property resolution in the inverse problem stabilizes the mechanical property estimates in the presence of measurement noise. Previous NLI implementations use the same FE mesh to support the displacement and property fields, requiring a trade-off between the competing resolution requirements. Methods: This work implements and evaluates multiresolution FE meshes for NLI elastography, allowing independent discretizations of the displacements and each mechanical property parameter to be estimated. The displacement resolution can then be selected to ensure mesh convergence, and the resolution of the property meshes can be independently manipulated to control the stability of the inversion. Results: Phantom experiments indicate that eight nodes per wavelength (NPW) are sufficient for accurate mechanical property recovery, whereas mechanical property estimation from 50 Hz in vivo brain data stabilizes once the displacement resolution reaches 1.7 mm (approximately 19 NPW). Viscoelastic mechanical property estimates of in vivo brain tissue show that subsampling the loss modulus while holding the storage modulus resolution constant does not substantially alter the storage modulus images. Controlling the ratio of the number of measurements to unknown mechanical properties by subsampling the mechanical property distributions (relative to the data resolution) improves the repeatability of the property estimates, at a cost of modestly decreased spatial resolution. Conclusions: Multiresolution NLI elastography provides a more flexible framework for mechanical property estimation compared to previous single mesh implementations. PMID:23039674

ARTI refrigerant database

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

Calm, J.M.

1996-07-01

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern.

Information Online 89. Selected Papers from the Australasian Online Information Conference and Exhibition (4th, Sydney, Australia, January 17-19, 1989).

ERIC Educational Resources Information Center

Lowry, Glenn R.; And Others

1989-01-01

The 10 papers in this collection discuss the database industry in Australia and New Zealand, networking activities in the ASEAN (Association of Southeast Asian Nations) region, intellectual property protection of databases, the development of land information systems in Australia, the development of expert systems, the use of optical data disks,…

The National Solar Radiation Database (NSRDB): A Brief Overview

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

Habte, Aron M; Sengupta, Manajit; Lopez, Anthony

This poster presents a high-level overview of the National Solar Radiation Database (NSRDB). The NSRDB uses the physics-based model (PSM), which was developed using: adapted PATMOS-X model for cloud identification and properties, REST-2 model for clear-sky conditions, and NREL's Fast All-sky Radiation Model for Solar Applications (FARMS) for cloudy-sky Global Horizontal Irradiance (GHI) solar irradiance calculations.

ARTI refrigerant database

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

Calm, J.M.

1996-11-15

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to property, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern.

Towards the feasibility of using ultrasound to determine mechanical properties of tissues in a bioreactor.

PubMed

Mansour, Joseph M; Gu, Di-Win Marine; Chung, Chen-Yuan; Heebner, Joseph; Althans, Jake; Abdalian, Sarah; Schluchter, Mark D; Liu, Yiying; Welter, Jean F

2014-10-01

Our ultimate goal is to non-destructively evaluate mechanical properties of tissue-engineered (TE) cartilage using ultrasound (US). We used agarose gels as surrogates for TE cartilage. Previously, we showed that mechanical properties measured using conventional methods were related to those measured using US, which suggested a way to non-destructively predict mechanical properties of samples with known volume fractions. In this study, we sought to determine whether the mechanical properties of samples, with unknown volume fractions could be predicted by US. Aggregate moduli were calculated for hydrogels as a function of SOS, based on concentration and density using a poroelastic model. The data were used to train a statistical model, which we then used to predict volume fractions and mechanical properties of unknown samples. Young's and storage moduli were measured mechanically. The statistical model generally predicted the Young's moduli in compression to within <10% of their mechanically measured value. We defined positive linear correlations between the aggregate modulus predicted from US and both the storage and Young's moduli determined from mechanical tests. Mechanical properties of hydrogels with unknown volume fractions can be predicted successfully from US measurements. This method has the potential to predict mechanical properties of TE cartilage non-destructively in a bioreactor.

Towards the feasibility of using ultrasound to determine mechanical properties of tissues in a bioreactor

PubMed Central

Mansour, Joseph M.; Gu, Di-Win Marine; Chung, Chen-Yuan; Heebner, Joseph; Althans, Jake; Abdalian, Sarah; Schluchter, Mark D.; Liu, Yiying; Welter, Jean F.

2016-01-01

Introduction Our ultimate goal is to non-destructively evaluate mechanical properties of tissue-engineered (TE) cartilage using ultrasound (US). We used agarose gels as surrogates for TE cartilage. Previously, we showed that mechanical properties measured using conventional methods were related to those measured using US, which suggested a way to non-destructively predict mechanical properties of samples with known volume fractions. In this study, we sought to determine whether the mechanical properties of samples, with unknown volume fractions could be predicted by US. Methods Aggregate moduli were calculated for hydrogels as a function of SOS, based on concentration and density using a poroelastic model. The data were used to train a statistical model, which we then used to predict volume fractions and mechanical properties of unknown samples. Young's and storage moduli were measured mechanically. Results The statistical model generally predicted the Young's moduli in compression to within < 10% of their mechanically measured value. We defined positive linear correlations between the aggregate modulus predicted from US and both the storage and Young's moduli determined from mechanical tests. Conclusions Mechanical properties of hydrogels with unknown volume fractions can be predicted successfully from US measurements. This method has the potential to predict mechanical properties of TE cartilage non-destructively in a bioreactor. PMID:25092421

Enhancing Aluminum Reactivity by Exploiting Surface Chemistry and Mechanical Properties

DTIC Science & Technology

2015-06-01

alter its mechanical properties . In bulk material processing , annealing and quenching metals such as Al can relieve residual stress and improve...increasing  Al  reactivity is to alter its mechanical  properties .  In bulk material  processing , annealing and quenching metals such as  Al  can relieve...mechanical properties . On a single particle level, affecting mechanical properties may also affect Al particle reactivity. Aluminum particles underwent

Investigation of the influence of the composition on mechanical properties poly(glycolide-DL-lactide)

NASA Astrophysics Data System (ADS)

Baikin, A. S.; Sevostyanov, M. A.; Nasakina, E. O.; Sergienko, K. V.; Kaplan, M. A.; Konushkin, S. V.; Kolmakova, A. A.; Yakubov, A. D.; Kolmakov, A. G.

2018-04-01

In this paper we describe the creation of films from poly (glycolide-DL-lactide). Studied the mechanical properties of developed polymer films of poly (glycolide-DL-lactide). The effect of the molecular weight of poly (glycolide-DL-lactide) on the mechanical properties of the resulting polymer films is shown. The dependence of the mechanical properties of poly (glycolide-DL-lactide) films on the polymer concentration in chloroform was studied. The possibility of creating biodegradable films with specified mechanical properties is shown.

Trauma scoring systems and databases.

PubMed

Lecky, F; Woodford, M; Edwards, A; Bouamra, O; Coats, T

2014-08-01

This review considers current trauma scoring systems and databases and their relevance to improving patient care. Single physiological measures such as systolic arterial pressure have limited ability to diagnose severe trauma by reflecting raised intracranial pressure, or significant haemorrhage. The Glasgow coma score has the greatest prognostic value in head-injured and other trauma patients. Trauma triage tools and imaging decision rules-using combinations of physiological cut-off measures with mechanism of injury and other categorical variables-bring both increased sophistication and increased complexity. It is important for clinicians and managers to be aware of the diagnostic properties (over- and under-triage rates) of any triage tool or decision rule used in their trauma system. Trauma registries are able to collate definitive injury descriptors and use survival prediction models to guide trauma system governance, through individual patient review and case-mix-adjusted benchmarking of hospital and network performance with robust outlier identification. Interrupted time series allow observation in the changes in care processes and outcomes at national level, which can feed back into clinical quality-based commissioning of healthcare. Registry data are also a valuable resource for trauma epidemiological and comparative effectiveness research studies. © The Author 2014. Published by Oxford University Press on behalf of the British Journal of Anaesthesia. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

Database-Centric Method for Automated High-Throughput Deconvolution and Analysis of Kinetic Antibody Screening Data.

PubMed

Nobrega, R Paul; Brown, Michael; Williams, Cody; Sumner, Chris; Estep, Patricia; Caffry, Isabelle; Yu, Yao; Lynaugh, Heather; Burnina, Irina; Lilov, Asparouh; Desroches, Jordan; Bukowski, John; Sun, Tingwan; Belk, Jonathan P; Johnson, Kirt; Xu, Yingda

2017-10-01

The state-of-the-art industrial drug discovery approach is the empirical interrogation of a library of drug candidates against a target molecule. The advantage of high-throughput kinetic measurements over equilibrium assessments is the ability to measure each of the kinetic components of binding affinity. Although high-throughput capabilities have improved with advances in instrument hardware, three bottlenecks in data processing remain: (1) intrinsic molecular properties that lead to poor biophysical quality in vitro are not accounted for in commercially available analysis models, (2) processing data through a user interface is time-consuming and not amenable to parallelized data collection, and (3) a commercial solution that includes historical kinetic data in the analysis of kinetic competition data does not exist. Herein, we describe a generally applicable method for the automated analysis, storage, and retrieval of kinetic binding data. This analysis can deconvolve poor quality data on-the-fly and store and organize historical data in a queryable format for use in future analyses. Such database-centric strategies afford greater insight into the molecular mechanisms of kinetic competition, allowing for the rapid identification of allosteric effectors and the presentation of kinetic competition data in absolute terms of percent bound to antigen on the biosensor.

An integrated global regulatory network of hematopoietic precursor cell self-renewal and differentiation.

PubMed

You, Yanan; Cuevas-Diaz Duran, Raquel; Jiang, Lihua; Dong, Xiaomin; Zong, Shan; Snyder, Michael; Wu, Jia Qian

2018-06-12

Systematic study of the regulatory mechanisms of Hematopoietic Stem Cell and Progenitor Cell (HSPC) self-renewal is fundamentally important for understanding hematopoiesis and for manipulating HSPCs for therapeutic purposes. Previously, we have characterized gene expression and identified important transcription factors (TFs) regulating the switch between self-renewal and differentiation in a multipotent Hematopoietic Progenitor Cell (HPC) line, EML (Erythroid, Myeloid, and Lymphoid) cells. Herein, we report binding maps for additional TFs (SOX4 and STAT3) by using chromatin immunoprecipitation (ChIP)-Sequencing, to address the underlying mechanisms regulating self-renewal properties of lineage-CD34+ subpopulation (Lin-CD34+ EML cells). Furthermore, we applied the Assay for Transposase Accessible Chromatin (ATAC)-Sequencing to globally identify the open chromatin regions associated with TF binding in the self-renewing Lin-CD34+ EML cells. Mass spectrometry (MS) was also used to quantify protein relative expression levels. Finally, by integrating the protein-protein interaction database, we built an expanded transcriptional regulatory and interaction network. We found that MAPK (Mitogen-activated protein kinase) pathway and TGF-β/SMAD signaling pathway components were highly enriched among the binding targets of these TFs in Lin-CD34+ EML cells. The present study integrates regulatory information at multiple levels to paint a more comprehensive picture of the HSPC self-renewal mechanisms.

Statistical Analysis of Crystallization Database Links Protein Physico-Chemical Features with Crystallization Mechanisms

PubMed Central

Fusco, Diana; Barnum, Timothy J.; Bruno, Andrew E.; Luft, Joseph R.; Snell, Edward H.; Mukherjee, Sayan; Charbonneau, Patrick

2014-01-01

X-ray crystallography is the predominant method for obtaining atomic-scale information about biological macromolecules. Despite the success of the technique, obtaining well diffracting crystals still critically limits going from protein to structure. In practice, the crystallization process proceeds through knowledge-informed empiricism. Better physico-chemical understanding remains elusive because of the large number of variables involved, hence little guidance is available to systematically identify solution conditions that promote crystallization. To help determine relationships between macromolecular properties and their crystallization propensity, we have trained statistical models on samples for 182 proteins supplied by the Northeast Structural Genomics consortium. Gaussian processes, which capture trends beyond the reach of linear statistical models, distinguish between two main physico-chemical mechanisms driving crystallization. One is characterized by low levels of side chain entropy and has been extensively reported in the literature. The other identifies specific electrostatic interactions not previously described in the crystallization context. Because evidence for two distinct mechanisms can be gleaned both from crystal contacts and from solution conditions leading to successful crystallization, the model offers future avenues for optimizing crystallization screens based on partial structural information. The availability of crystallization data coupled with structural outcomes analyzed through state-of-the-art statistical models may thus guide macromolecular crystallization toward a more rational basis. PMID:24988076

Statistical analysis of crystallization database links protein physico-chemical features with crystallization mechanisms.

PubMed

Fusco, Diana; Barnum, Timothy J; Bruno, Andrew E; Luft, Joseph R; Snell, Edward H; Mukherjee, Sayan; Charbonneau, Patrick

2014-01-01

X-ray crystallography is the predominant method for obtaining atomic-scale information about biological macromolecules. Despite the success of the technique, obtaining well diffracting crystals still critically limits going from protein to structure. In practice, the crystallization process proceeds through knowledge-informed empiricism. Better physico-chemical understanding remains elusive because of the large number of variables involved, hence little guidance is available to systematically identify solution conditions that promote crystallization. To help determine relationships between macromolecular properties and their crystallization propensity, we have trained statistical models on samples for 182 proteins supplied by the Northeast Structural Genomics consortium. Gaussian processes, which capture trends beyond the reach of linear statistical models, distinguish between two main physico-chemical mechanisms driving crystallization. One is characterized by low levels of side chain entropy and has been extensively reported in the literature. The other identifies specific electrostatic interactions not previously described in the crystallization context. Because evidence for two distinct mechanisms can be gleaned both from crystal contacts and from solution conditions leading to successful crystallization, the model offers future avenues for optimizing crystallization screens based on partial structural information. The availability of crystallization data coupled with structural outcomes analyzed through state-of-the-art statistical models may thus guide macromolecular crystallization toward a more rational basis.

Integration of gel-based and gel-free proteomic data for functional analysis of proteins through Soybean Proteome Database.

PubMed

Komatsu, Setsuko; Wang, Xin; Yin, Xiaojian; Nanjo, Yohei; Ohyanagi, Hajime; Sakata, Katsumi

2017-06-23

The Soybean Proteome Database (SPD) stores data on soybean proteins obtained with gel-based and gel-free proteomic techniques. The database was constructed to provide information on proteins for functional analyses. The majority of the data is focused on soybean (Glycine max 'Enrei'). The growth and yield of soybean are strongly affected by environmental stresses such as flooding. The database was originally constructed using data on soybean proteins separated by two-dimensional polyacrylamide gel electrophoresis, which is a gel-based proteomic technique. Since 2015, the database has been expanded to incorporate data obtained by label-free mass spectrometry-based quantitative proteomics, which is a gel-free proteomic technique. Here, the portions of the database consisting of gel-free proteomic data are described. The gel-free proteomic database contains 39,212 proteins identified in 63 sample sets, such as temporal and organ-specific samples of soybean plants grown under flooding stress or non-stressed conditions. In addition, data on organellar proteins identified in mitochondria, nuclei, and endoplasmic reticulum are stored. Furthermore, the database integrates multiple omics data such as genomics, transcriptomics, metabolomics, and proteomics. The SPD database is accessible at http://proteome.dc.affrc.go.jp/Soybean/. The Soybean Proteome Database stores data obtained from both gel-based and gel-free proteomic techniques. The gel-free proteomic database comprises 39,212 proteins identified in 63 sample sets, such as different organs of soybean plants grown under flooding stress or non-stressed conditions in a time-dependent manner. In addition, organellar proteins identified in mitochondria, nuclei, and endoplasmic reticulum are stored in the gel-free proteomics database. A total of 44,704 proteins, including 5490 proteins identified using a gel-based proteomic technique, are stored in the SPD. It accounts for approximately 80% of all predicted proteins from genome sequences, though there are over lapped proteins. Based on the demonstrated application of data stored in the database for functional analyses, it is suggested that these data will be useful for analyses of biological mechanisms in soybean. Furthermore, coupled with recent advances in information and communication technology, the usefulness of this database would increase in the analyses of biological mechanisms. Copyright © 2017 Elsevier B.V. All rights reserved.

Mechanical properties and production quality of hand-layup and vacuum infusion processed hybrid composite materials for GFRP marine structures

NASA Astrophysics Data System (ADS)

Kim, Sang-Young; Shim, Chun Sik; Sturtevant, Caleb; Kim, Dave (Dae-Wook); Song, Ha Cheol

2014-09-01

Glass Fiber Reinforced Plastic (GFRP) structures are primarily manufactured using hand lay-up or vacuum infusion techniques, which are cost-effective for the construction of marine vessels. This paper aims to investigate the mechanical properties and failure mechanisms of the hybrid GFRP composites, formed by applying the hand lay-up processed exterior and the vacuum infusion processed interior layups, providing benefits for structural performance and ease of manufacturing. The hybrid GFRP composites contain one, two, and three vacuum infusion processed layer sets with consistent sets of hand lay-up processed layers. Mechanical properties assessed in this study include tensile, compressive and in-plane shear properties. Hybrid composites with three sets of vacuum infusion layers showed the highest tensile mechanical properties while those with two sets had the highest mechanical properties in compression. The batch homogeneity, for the GFRP fabrication processes, is evaluated using the experimentally obtained mechanical properties

ThermoFit: A Set of Software Tools, Protocols and Schema for the Organization of Thermodynamic Data and for the Development, Maintenance, and Distribution of Internally Consistent Thermodynamic Data/Model Collections

NASA Astrophysics Data System (ADS)

Ghiorso, M. S.

2013-12-01

Internally consistent thermodynamic databases are critical resources that facilitate the calculation of heterogeneous phase equilibria and thereby support geochemical, petrological, and geodynamical modeling. These 'databases' are actually derived data/model systems that depend on a diverse suite of physical property measurements, calorimetric data, and experimental phase equilibrium brackets. In addition, such databases are calibrated with the adoption of various models for extrapolation of heat capacities and volumetric equations of state to elevated temperature and pressure conditions. Finally, these databases require specification of thermochemical models for the mixing properties of solid, liquid, and fluid solutions, which are often rooted in physical theory and, in turn, depend on additional experimental observations. The process of 'calibrating' a thermochemical database involves considerable effort and an extensive computational infrastructure. Because of these complexities, the community tends to rely on a small number of thermochemical databases, generated by a few researchers; these databases often have limited longevity and are universally difficult to maintain. ThermoFit is a software framework and user interface whose aim is to provide a modeling environment that facilitates creation, maintenance and distribution of thermodynamic data/model collections. Underlying ThermoFit are data archives of fundamental physical property, calorimetric, crystallographic, and phase equilibrium constraints that provide the essential experimental information from which thermodynamic databases are traditionally calibrated. ThermoFit standardizes schema for accessing these data archives and provides web services for data mining these collections. Beyond simple data management and interoperability, ThermoFit provides a collection of visualization and software modeling tools that streamline the model/database generation process. Most notably, ThermoFit facilitates the rapid visualization of predicted model outcomes and permits the user to modify these outcomes using tactile- or mouse-based GUI interaction, permitting real-time updates that reflect users choices, preferences, and priorities involving derived model results. This ability permits some resolution of the problem of correlated model parameters in the common situation where thermodynamic models must be calibrated from inadequate data resources. The ability also allows modeling constraints to be imposed using natural data and observations (i.e. petrologic or geochemical intuition). Once formulated, ThermoFit facilitates deployment of data/model collections by automated creation of web services. Users consume these services via web-, excel-, or desktop-clients. ThermoFit is currently under active development and not yet generally available; a limited capability prototype system has been coded for Macintosh computers and utilized to construct thermochemical models for H2O-CO2 mixed fluid saturation in silicate liquids. The longer term goal is to release ThermoFit as a web portal application client with server-based cloud computations supporting the modeling environment.

Structural significance of mechanical damage.

DOT National Transportation Integrated Search

2012-05-01

The letter transmits the Final Report for work completed under US DOT PHMSA Other Transaction Agreement (OTA) DTPH56-08-T-000011, Structural Significance of Mechanical Damage. The project was implemented to develop a detailed experimental database on...

Microstructure and mechanical properties of horns derived from three domestic bovines.

PubMed

Zhang, Quan-bin; Li, Chun; Pan, Yan-ting; Shan, Guang-hua; Cao, Ping; He, Jia; Lin, Zhong-shi; Ao, Ning-jian; Huang, Yao-xiong

2013-12-01

The microstructure and mechanical properties of horns derived from three domestic bovines (buffalo, cattle and sheep) were examined. The effects of water content, sampling position and orientation of three bovid horns on mechanical properties were systematically investigated by uniaxial tension and micron indentation tests. Meanwhile, the material composition and metal element contents were determined by Raman spectroscopy and elemental analysis respectively, and the microstructures of the horns were measured by scanning electron microscopy (SEM). Results show that the mechanical properties of horns have negative correlation with water contents and depend on sampling position and orientation. The spatial variations of the mechanical properties in horns are attributed to the different keratinization degrees in the proximal, middle and distal parts. And the mechanical properties of horns in the longitudinal direction are better than those in transverse. Among the three kinds of horns, the mechanical properties of buffalo horn are the best, followed by cattle horn, and those in sheep horn are the worst. This is due to the differences in material composition, metal element, and the microstructures of the horns. But the mechanical properties of buffalo horns are not dependent on the source of the buffalo. Therefore, regular engineered buffalo keratinous materials with standard mechanical properties can be obtained from different buffalo horns by using proper preparation methods. © 2013.

Landslide database dominated by rainfall triggered events

NASA Astrophysics Data System (ADS)

Devoli, G.; Strauch, W.; Álvarez, A.

2009-04-01

A digital landslide database has been created for Nicaragua to provide the scientific community and national authorities with a tool for landslide hazard assessment. Valuable information on landslide events has been obtained from a great variety of sources. On the basis of the data stored in the database, preliminary analyses performed at national scale aimed to characterize landslides in terms of spatial and temporal distribution, types of slope movements, triggering mechanisms, number of casualties and damage to infrastructure. A total of about 17000 events spatially distributed in mountainous and volcanic terrains have been collected in the database. The events are temporally distributed between 1826 and 2003, but a large number of the records (62% of the total number) occurred during the disastrous Hurricane Mitch in October 1998. The results showed that debris flows are the most common types of landslides recorded in the database (66% of the total amount), but other types, including rockfalls and slides, have also been identified. Rainfall, also associated with tropical cyclones, is the most frequent triggering mechanism of landslides in Nicaragua, but also seismic and volcanic activities are important triggers or, especially, the combination of one of them with rainfall. Rainfall has caused all types of failures, but debris flows and translational shallow slides are more frequent types. Earthquakes have most frequently triggered rockfalls and slides, while volcanic eruptions rockfalls and debris flows. Landslides triggered by rainfall were limited in time to the wet season that lasts from May to October and an increase in the number of events is observed during the months of September and October, which is in accord with the period of the rainy season in the Pacific and Northern and Central regions and when the country has the highest probability of being impacted by hurricanes. Both Atlantic and Pacific tropical cyclones have triggered landslides. At the medium scale, the influence of topographic and lithologic parameters on the occurrence of landslides was also analyzed and the physical characterization of landslides was done to better understand the landslide dynamics and run-out distances in both volcanic and non-volcanic areas. Data from fairly well documented events in Nicaragua were compared with other similar events in Central America and elsewhere and treated statistically to search for possible correlations and empirical relationships to predict run-out distances for different types of landslides, knowing the height of fall or the volume. The empirical relationships showed that debris flows and debris avalanches at volcanoes have the highest mobility and reach longer distances compared to other types of landslides. Because of their characteristics and downstream behaviour (long run-out distances and large volumes) both types of landslides have produced the highest number of victims in the country being the most dangerous to life and property.

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

Humphrey, Walter R.

CMS is a Windows application for tracking chemical inventories. Partners will use this application to record chemicals that are stored on their site and to perform periodic inventories of those chemicals. The application records information about stored chemicals from user input via the keyboard and barcode readers and stores that information into a single-file database (SQLite). A simple user login mechanism is used to control access to functions in the application. A user interface is provided that allows users to search the database and update data in the database.

Development of the ageing management database of PUSPATI TRIGA reactor

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

Ramli, Nurhayati, E-mail: nurhayati@nm.gov.my; Tom, Phongsakorn Prak; Husain, Nurfazila

Since its first criticality in 1982, PUSPATI TRIGA Reactor (RTP) has been operated for more than 30 years. As RTP become older, ageing problems have been seen to be the prominent issues. In addressing the ageing issues, an Ageing Management (AgeM) database for managing related ageing matters was systematically developed. This paper presents the development of AgeM database taking into account all RTP major Systems, Structures and Components (SSCs) and ageing mechanism of these SSCs through the system surveillance program.

AN OVERVIEW OF COMPUTATIONAL LIFE SCIENCE DATABASES & EXCHANGE FORMATS OF RELEVANCE TO CHEMICAL BIOLOGY RESEARCH

PubMed Central

Hall, Aaron Smalter; Shan, Yunfeng; Lushington, Gerald; Visvanathan, Mahesh

2016-01-01

Databases and exchange formats describing biological entities such as chemicals and proteins, along with their relationships, are a critical component of research in life sciences disciplines, including chemical biology wherein small information about small molecule properties converges with cellular and molecular biology. Databases for storing biological entities are growing not only in size, but also in type, with many similarities between them and often subtle differences. The data formats available to describe and exchange these entities are numerous as well. In general, each format is optimized for a particular purpose or database, and hence some understanding of these formats is required when choosing one for research purposes. This paper reviews a selection of different databases and data formats with the goal of summarizing their purposes, features, and limitations. Databases are reviewed under the categories of 1) protein interactions, 2) metabolic pathways, 3) chemical interactions, and 4) drug discovery. Representation formats will be discussed according to those describing chemical structures, and those describing genomic/proteomic entities. PMID:22934944

An overview of computational life science databases & exchange formats of relevance to chemical biology research.

PubMed

Smalter Hall, Aaron; Shan, Yunfeng; Lushington, Gerald; Visvanathan, Mahesh

2013-03-01

Databases and exchange formats describing biological entities such as chemicals and proteins, along with their relationships, are a critical component of research in life sciences disciplines, including chemical biology wherein small information about small molecule properties converges with cellular and molecular biology. Databases for storing biological entities are growing not only in size, but also in type, with many similarities between them and often subtle differences. The data formats available to describe and exchange these entities are numerous as well. In general, each format is optimized for a particular purpose or database, and hence some understanding of these formats is required when choosing one for research purposes. This paper reviews a selection of different databases and data formats with the goal of summarizing their purposes, features, and limitations. Databases are reviewed under the categories of 1) protein interactions, 2) metabolic pathways, 3) chemical interactions, and 4) drug discovery. Representation formats will be discussed according to those describing chemical structures, and those describing genomic/proteomic entities.

pseudoMap: an innovative and comprehensive resource for identification of siRNA-mediated mechanisms in human transcribed pseudogenes.

PubMed

Chan, Wen-Ling; Yang, Wen-Kuang; Huang, Hsien-Da; Chang, Jan-Gowth

2013-01-01

RNA interference (RNAi) is a gene silencing process within living cells, which is controlled by the RNA-induced silencing complex with a sequence-specific manner. In flies and mice, the pseudogene transcripts can be processed into short interfering RNAs (siRNAs) that regulate protein-coding genes through the RNAi pathway. Following these findings, we construct an innovative and comprehensive database to elucidate siRNA-mediated mechanism in human transcribed pseudogenes (TPGs). To investigate TPG producing siRNAs that regulate protein-coding genes, we mapped the TPGs to small RNAs (sRNAs) that were supported by publicly deep sequencing data from various sRNA libraries and constructed the TPG-derived siRNA-target interactions. In addition, we also presented that TPGs can act as a target for miRNAs that actually regulate the parental gene. To enable the systematic compilation and updating of these results and additional information, we have developed a database, pseudoMap, capturing various types of information, including sequence data, TPG and cognate annotation, deep sequencing data, RNA-folding structure, gene expression profiles, miRNA annotation and target prediction. As our knowledge, pseudoMap is the first database to demonstrate two mechanisms of human TPGs: encoding siRNAs and decoying miRNAs that target the parental gene. pseudoMap is freely accessible at http://pseudomap.mbc.nctu.edu.tw/. Database URL: http://pseudomap.mbc.nctu.edu.tw/

How does tissue regeneration influence the mechanical behavior of additively manufactured porous biomaterials?

PubMed

Hedayati, R; Janbaz, S; Sadighi, M; Mohammadi-Aghdam, M; Zadpoor, A A

2017-01-01

Although the initial mechanical properties of additively manufactured porous biomaterials are intensively studied during the last few years, almost no information is available regarding the evolution of the mechanical properties of implant-bone complex as the tissue regeneration progresses. In this paper, we studied the effects of tissue regeneration on the static and fatigue behavior of selective laser melted porous titanium structures with three different porosities (i.e. 77, 81, and 85%). The porous structures were filled with four different polymeric materials with mechanical properties in the range of those observed for de novo bone (0.7GPa

Protein mechanics: from single molecules to functional biomaterials.

PubMed

Li, Hongbin; Cao, Yi

2010-10-19

Elastomeric proteins act as the essential functional units in a wide variety of biomechanical machinery and serve as the basic building blocks for biological materials that exhibit superb mechanical properties. These proteins provide the desired elasticity, mechanical strength, resilience, and toughness within these materials. Understanding the mechanical properties of elastomeric protein-based biomaterials is a multiscale problem spanning from the atomistic/molecular level to the macroscopic level. Uncovering the design principles of individual elastomeric building blocks is critical both for the scientific understanding of multiscale mechanics of biomaterials and for the rational engineering of novel biomaterials with desirable mechanical properties. The development of single-molecule force spectroscopy techniques has provided methods for characterizing mechanical properties of elastomeric proteins one molecule at a time. Single-molecule atomic force microscopy (AFM) is uniquely suited to this purpose. Molecular dynamic simulations, protein engineering techniques, and single-molecule AFM study have collectively revealed tremendous insights into the molecular design of single elastomeric proteins, which can guide the design and engineering of elastomeric proteins with tailored mechanical properties. Researchers are focusing experimental efforts toward engineering artificial elastomeric proteins with mechanical properties that mimic or even surpass those of natural elastomeric proteins. In this Account, we summarize our recent experimental efforts to engineer novel artificial elastomeric proteins and develop general and rational methodologies to tune the nanomechanical properties of elastomeric proteins at the single-molecule level. We focus on general design principles used for enhancing the mechanical stability of proteins. These principles include the development of metal-chelation-based general methodology, strategies to control the unfolding hierarchy of multidomain elastomeric proteins, and the design of novel elastomeric proteins that exhibit stimuli-responsive mechanical properties. Moving forward, we are now exploring the use of these artificial elastomeric proteins as building blocks of protein-based biomaterials. Ultimately, we would like to rationally tailor mechanical properties of elastomeric protein-based materials by programming the molecular sequence, and thus nanomechanical properties, of elastomeric proteins at the single-molecule level. This step would help bridge the gap between single protein mechanics and material biomechanics, revealing how the mechanical properties of individual elastomeric proteins are translated into the properties of macroscopic materials.

NREL: U.S. Life Cycle Inventory Database - Project Management Team

Science.gov Websites

Project Management Team Information about the U.S. Life Cycle Inventory (LCI) Database project management team is listed on this page. Additional project information is available about the U.S. LCI Mechanical Engineering, Colorado State University Professional History Michael has worked as a Senior

Using Web-based Tutorials To Enhance Library Instruction.

ERIC Educational Resources Information Center

Kocour, Bruce G.

2000-01-01

Describes the development of a Web site for library instruction at Carson-Newman College (TN) and its integration into English composition courses. Describes the use of a virtual tour, a tutorial on database searching, tutorials on specific databases, and library guides to specific disciplines to create an effective mechanism for active learning.…

Identifying "known unknowns": A comparison between ChemSpider and the US EPA's CompTox Dashboard (ACS Spring National meeting) 1 of 7

EPA Science Inventory

Non-targeted analysis (NTA) workflows in high-resolution mass spectrometry require mechanisms for compound identification. One strategy for tentative identification is the use of online chemical databases such as ChemSpider. Databases like this use molecular formulae and monois...

Study on parallel and distributed management of RS data based on spatial data base

NASA Astrophysics Data System (ADS)

Chen, Yingbiao; Qian, Qinglan; Liu, Shijin

2006-12-01

With the rapid development of current earth-observing technology, RS image data storage, management and information publication become a bottle-neck for its appliance and popularization. There are two prominent problems in RS image data storage and management system. First, background server hardly handle the heavy process of great capacity of RS data which stored at different nodes in a distributing environment. A tough burden has put on the background server. Second, there is no unique, standard and rational organization of Multi-sensor RS data for its storage and management. And lots of information is lost or not included at storage. Faced at the above two problems, the paper has put forward a framework for RS image data parallel and distributed management and storage system. This system aims at RS data information system based on parallel background server and a distributed data management system. Aiming at the above two goals, this paper has studied the following key techniques and elicited some revelatory conclusions. The paper has put forward a solid index of "Pyramid, Block, Layer, Epoch" according to the properties of RS image data. With the solid index mechanism, a rational organization for different resolution, different area, different band and different period of Multi-sensor RS image data is completed. In data storage, RS data is not divided into binary large objects to be stored at current relational database system, while it is reconstructed through the above solid index mechanism. A logical image database for the RS image data file is constructed. In system architecture, this paper has set up a framework based on a parallel server of several common computers. Under the framework, the background process is divided into two parts, the common WEB process and parallel process.

The Steward Observatory asteroid relational database

NASA Technical Reports Server (NTRS)

Sykes, Mark V.; Alvarezdelcastillo, Elizabeth M.

1991-01-01

The Steward Observatory Asteroid Relational Database (SOARD) was created as a flexible tool for undertaking studies of asteroid populations and sub-populations, to probe the biases intrinsic to asteroid databases, to ascertain the completeness of data pertaining to specific problems, to aid in the development of observational programs, and to develop pedagogical materials. To date, SOARD has compiled an extensive list of data available on asteroids and made it accessible through a single menu-driven database program. Users may obtain tailored lists of asteroid properties for any subset of asteroids or output files which are suitable for plotting spectral data on individual asteroids. The program has online help as well as user and programmer documentation manuals. The SOARD already has provided data to fulfill requests by members of the astronomical community. The SOARD continues to grow as data is added to the database and new features are added to the program.

New generic indexing technology

NASA Technical Reports Server (NTRS)

Freeston, Michael

1996-01-01

There has been no fundamental change in the dynamic indexing methods supporting database systems since the invention of the B-tree twenty-five years ago. And yet the whole classical approach to dynamic database indexing has long since become inappropriate and increasingly inadequate. We are moving rapidly from the conventional one-dimensional world of fixed-structure text and numbers to a multi-dimensional world of variable structures, objects and images, in space and time. But, even before leaving the confines of conventional database indexing, the situation is highly unsatisfactory. In fact, our research has led us to question the basic assumptions of conventional database indexing. We have spent the past ten years studying the properties of multi-dimensional indexing methods, and in this paper we draw the strands of a number of developments together - some quite old, some very new, to show how we now have the basis for a new generic indexing technology for the next generation of database systems.

Building a highly available and intrusion tolerant Database Security and Protection System (DSPS).

PubMed

Cai, Liang; Yang, Xiao-Hu; Dong, Jin-Xiang

2003-01-01

Database Security and Protection System (DSPS) is a security platform for fighting malicious DBMS. The security and performance are critical to DSPS. The authors suggested a key management scheme by combining the server group structure to improve availability and the key distribution structure needed by proactive security. This paper detailed the implementation of proactive security in DSPS. After thorough performance analysis, the authors concluded that the performance difference between the replicated mechanism and proactive mechanism becomes smaller and smaller with increasing number of concurrent connections; and that proactive security is very useful and practical for large, critical applications.

A Physically Based Correlation of Irradiation-Induced Transition Temperature Shifts for RPV Steels

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

Eason, Ernest D.; Odette, George Robert; Nanstad, Randy K

2007-11-01

The reactor pressure vessels (RPVs) of commercial nuclear power plants are subject to embrittlement due to exposure to high-energy neutrons from the core, which causes changes in material toughness properties that increase with radiation exposure and are affected by many variables. Irradiation embrittlement of RPV beltline materials is currently evaluated using Regulatory Guide 1.99 Revision 2 (RG1.99/2), which presents methods for estimating the shift in Charpy transition temperature at 30 ft-lb (TTS) and the drop in Charpy upper shelf energy (ΔUSE). The purpose of the work reported here is to improve on the TTS correlation model in RG1.99/2 using themore » broader database now available and current understanding of embrittlement mechanisms. The USE database and models have not been updated since the publication of NUREG/CR-6551 and, therefore, are not discussed in this report. The revised embrittlement shift model is calibrated and validated on a substantially larger, better-balanced database compared to prior models, including over five times the amount of data used to develop RG1.99/2. It also contains about 27% more data than the most recent update to the surveillance shift database, in 2000. The key areas expanded in the current database relative to the database available in 2000 are low-flux, low-copper, and long-time, high-fluence exposures, all areas that were previously relatively sparse. All old and new surveillance data were reviewed for completeness, duplicates, and discrepancies in cooperation with the American Society for Testing and Materials (ASTM) Subcommittee E10.02 on Radiation Effects in Structural Materials. In the present modeling effort, a 10% random sample of data was reserved from the fitting process, and most aspects of the model were validated with that sample as well as other data not used in calibration. The model is a hybrid, incorporating both physically motivated features and empirical calibration to the U.S. power reactor surveillance data. It contains two terms, corresponding to the best-understood radiation damage features, matrix damage and copper-rich precipitates, although the empirical calibration will ensure that all other damage processes that are occurring are also reflected in those terms. Effects of material chemical composition, product form, and radiation exposure are incorporated, such that all effects are supported by findings of statistical significance, physical understanding, or comparison with independent data from controlled experiments, such as the Irradiation Variable (IVAR) Program. In most variable effects, the model is supported by two or three of these different forms of evidence. The key variable trends, such as the neutron fluence dependence and copper-nickel dependence in the new TTS model, are much improved over RG1.99/2 and are well supported by independent data and the current understanding of embrittlement mechanisms. The new model includes the variables copper, nickel, and fluence that are in RG1.99/2, but also includes effects of irradiation temperature, neutron flux, phosphorus, and manganese. The calibrated model is a good fit, with no significant residual error trends in any of the variables used in the model or several additional variables and variable interactions that were investigated. The report includes a chapter summarizing the current understanding of embrittlement mechanisms and one comparing the IVAR database with the TTS model predictions. Generally good agreement is found in that quantitative comparison, providing independent confirmation of the predictive capability of the TTS model. The key new insight in the TTS modeling effort, that flux effects are evident in both low (or no) copper and higher copper materials, is supported by the IVAR data. The slightly simplified version of the TTS model presented in Section 7.3 of this report is recommended for applications.« less

Heat Transmission Properties of Insulating and Building Materials

National Institute of Standards and Technology Data Gateway

SRD 81 NIST Heat Transmission Properties of Insulating and Building Materials (Web, free access)   NIST has accumulated a valuable and comprehensive collection of thermal conductivity data. Version 1.0 of the database includes data for over 2000 measurements, covering several categories of materials including concrete, fiberboard, plastics, thermal insulation, and rubber.

Development of a Dynamic Visco-elastic Vehicle-Soil Interaction Model for Rut Depth, and Power Determinations

DTIC Science & Technology

2011-09-06

Presentation Outline A) Review of Soil Model governing equations B) Development of pedo -transfer functions (terrain database to engineering properties) C...lateral earth pressure) UNCLASSIFIED B) Development of pedo -transfer functions Engineering parameters needed by soil model - compression index - rebound...inches, RCI for fine- grained soils, CI for coarse-grained soils. UNCLASSIFIED Pedo -transfer function • Need to transfer existing terrain database

A search map for organic additives and solvents applicable in high-voltage rechargeable batteries.

PubMed

Park, Min Sik; Park, Insun; Kang, Yoon-Sok; Im, Dongmin; Doo, Seok-Gwang

2016-09-29

Chemical databases store information such as molecular formulas, chemical structures, and the physical and chemical properties of compounds. Although the massive databases of organic compounds exist, the search of target materials is constrained by a lack of physical and chemical properties necessary for specific applications. With increasing interest in the development of energy storage systems such as high-voltage rechargeable batteries, it is critical to find new electrolytes efficiently. Here we build a search map to screen organic additives and solvents with novel core and functional groups, and thus establish a database of electrolytes to identify the most promising electrolyte for high-voltage rechargeable batteries. This search map is generated from MAssive Molecular Map BUilder (MAMMBU) by combining a high-throughput quantum chemical simulation with an artificial neural network algorithm. MAMMBU is designed for predicting the oxidation and reduction potentials of organic compounds existing in the massive organic compound database, PubChem. We develop a search map composed of ∼1 000 000 redox potentials and elucidate the quantitative relationship between the redox potentials and functional groups. Finally, we screen a quinoxaline compound for an anode additive and apply it to electrolytes and improve the capacity retention from 64.3% to 80.8% near 200 cycles for a lithium ion battery in experiments.

Child-Report Measures of Occupational Performance: A Systematic Review

PubMed Central

Totino, Rebekah; Doma, Kenji; Leicht, Anthony; Brown, Nicole; Cuomo, Belinda

2016-01-01

Introduction Improving occupational performance is a key service of occupational therapists and client-centred approach to care is central to clinical practice. As such it is important to comprehensively evaluate the quality of psychometric properties reported across measures of occupational performance; in order to guide assessment and treatment planning. Objective To systematically review the literature on the psychometric properties of child-report measures of occupational performance for children ages 2–18 years. Methods A systematic search of the following six electronic databases was conducted: CINAHL; PsycINFO; EMBASE; PubMed; the Health and Psychosocial Instruments (HAPI) database; and Google Scholar. The quality of the studies was evaluated against the COSMIN taxonomy of measurement properties and the overall quality of psychometric properties was evaluated using pre-set psychometric criteria. Results Fifteen articles and one manual were reviewed to assess the psychometric properties of the six measures–the PEGS, MMD, CAPE, PAC, COSA, and OSA- which met the inclusion criteria. Most of the measures had conducted good quality studies to evaluate the psychometric properties of measures (PEGS, CAPE, PAC, OSA); however, the quality of the studies for two of these measures was relatively weak (MMD, COSA). When integrating the quality of the psychometric properties of the measures with the quality of the studies, the PAC stood out as having superior psychometric qualities. Conclusions The overall quality of the psychometric properties of most measures was limited. There is a need for continuing research into the psychometric properties of child-report measures of occupational performance, and to revise and improve the psychometric properties of existing measures. PMID:26808674

The Structural Ceramics Database: Technical Foundations

PubMed Central

Munro, R. G.; Hwang, F. Y.; Hubbard, C. R.

1989-01-01

The development of a computerized database on advanced structural ceramics can play a critical role in fostering the widespread use of ceramics in industry and in advanced technologies. A computerized database may be the most effective means of accelerating technology development by enabling new materials to be incorporated into designs far more rapidly than would have been possible with traditional information transfer processes. Faster, more efficient access to critical data is the basis for creating this technological advantage. Further, a computerized database provides the means for a more consistent treatment of data, greater quality control and product reliability, and improved continuity of research and development programs. A preliminary system has been completed as phase one of an ongoing program to establish the Structural Ceramics Database system. The system is designed to be used on personal computers. Developed in a modular design, the preliminary system is focused on the thermal properties of monolithic ceramics. The initial modules consist of materials specification, thermal expansion, thermal conductivity, thermal diffusivity, specific heat, thermal shock resistance, and a bibliography of data references. Query and output programs also have been developed for use with these modules. The latter program elements, along with the database modules, will be subjected to several stages of testing and refinement in the second phase of this effort. The goal of the refinement process will be the establishment of this system as a user-friendly prototype. Three primary considerations provide the guidelines to the system’s development: (1) The user’s needs; (2) The nature of materials properties; and (3) The requirements of the programming language. The present report discusses the manner and rationale by which each of these considerations leads to specific features in the design of the system. PMID:28053397

InverPep: A database of invertebrate antimicrobial peptides.

PubMed

Gómez, Esteban A; Giraldo, Paula; Orduz, Sergio

2017-03-01

The aim of this work was to construct InverPep, a database specialised in experimentally validated antimicrobial peptides (AMPs) from invertebrates. AMP data contained in InverPep were manually curated from other databases and the scientific literature. MySQL was integrated with the development platform Laravel; this framework allows to integrate programming in PHP with HTML and was used to design the InverPep web page's interface. InverPep contains 18 separated fields, including InverPep code, phylum and species source, peptide name, sequence, peptide length, secondary structure, molar mass, charge, isoelectric point, hydrophobicity, Boman index, aliphatic index and percentage of hydrophobic amino acids. CALCAMPI, an algorithm to calculate the physicochemical properties of multiple peptides simultaneously, was programmed in PERL language. To date, InverPep contains 702 experimentally validated AMPs from invertebrate species. All of the peptides contain information associated with their source, physicochemical properties, secondary structure, biological activity and links to external literature. Most AMPs in InverPep have a length between 10 and 50 amino acids, a positive charge, a Boman index between 0 and 2 kcal/mol, and 30-50% hydrophobic amino acids. InverPep includes 33 AMPs not reported in other databases. Besides, CALCAMPI and statistical analysis of InverPep data is presented. The InverPep database is available in English and Spanish. InverPep is a useful database to study invertebrate AMPs and its information could be used for the design of new peptides. The user-friendly interface of InverPep and its information can be freely accessed via a web-based browser at http://ciencias.medellin.unal.edu.co/gruposdeinvestigacion/prospeccionydisenobiomoleculas/InverPep/public/home_en. Copyright © 2016 International Society for Chemotherapy of Infection and Cancer. Published by Elsevier Ltd. All rights reserved.

Mechanical properties and strengthening mechanism of epoxy resin reinforced with nano-SiO2 particles and multi-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Xiao, Chufan; Tan, Yefa; Yang, Xupu; Xu, Ting; Wang, Lulu; Qi, Zehao

2018-03-01

Nano-SiO2 particles and MWCNTs were used to reinforce the EPs. The mechanical properties of the composites and the strengthening mechanisms of nano-SiO2 and MWCNTs on the mechanical properties of epoxy composites were studied. The results show that the mechanical properties of the reinforced epoxy composites are greatly improved. Especially, nano-SiO2/MWCNTs/EP composites exhibit the most excellent mechanical properties. The synergistic strengthening mechanisms of nano-SiO2 and MWCNTs on the EP are the micro plastic deformation effect, micro-cracks and their divarication effect, and the pull-out effect of MWCNTs in EP matrix, which can reduce the extent of stress concentration and absorb more energy.

Pro-sexual and androgen enhancing effects of Tribulus terrestris L.: Fact or Fiction.

PubMed

Neychev, Vladimir; Mitev, Vanyo

2016-02-17

Historically, aphrodisiacs have had a reputation for making sex more achievable and satisfying. It has been long believed that Tribulus terrestris L. (TT), an annual plant of the family Zygophyllaceae, possesses aphrodisiac properties purportedly attributed to its ability to influence levels or mimic function of sex hormones. Due to this appealing beliefs, the popularity of medicinal products from TT is expanding at a remarkable pace among consumers who are attempting to enhance their sexual health. However, reliable scientific evidence supporting these purported bioactivities are scant and far from conclusive. To critically analyze and updated the evidence supporting a role for TT as an aphrodisiac and to reappraise the widely believed view of TT as an androgen enhancing botanical supplement. An extensive review of the literature was carried out based on systematic search of major scientific databases (PubMed, Elsevier, Springer Link, Google Scholar, Medline Plus, and Web of Science) for studies of phytochemical, pharmacological and traditional uses of TT published between 1968 and 2015. In addition, the reference lists of the available articles were reviewed and relevant studies including material in journals which are not indexed internationally were reviewed. Analysis of phytochemical and pharmacological studies in humans and animals revealed an important role for TT in treating erectile dysfunction and sexual desire problems; however, empirical evidence to support the hypothesis that this desirable effects are due to androgen enhancing properties of TT is, at best, inconclusive, and analysis of empirical evidence from a comprehensive review of available literature proved this hypothesis wrong. While the mechanisms underlying TT aphrodisiac activity remain largely unknown, there is emerging compelling evidence from experimental studies in animals for possible endothelium and nitric oxide-dependent mechanisms underlying TT aphrodisiac and pro-erectile activities. It is becoming increasingly clear that the deep-seated traditional view of TT bioactivity focused exclusively on its androgen enhancing properties is outdated and incapable for accommodating the emerging evidence from recent clinical and experimental studies pointing toward new and, perhaps, more plausible modes of action. Novel paradigms guiding the development of new testable hypotheses for TT aphrodisiac properties are needed to stimulate further investigations into potential biological mechanisms in which many apparently conflicting observations can be reconciled. Copyright © 2015 Elsevier Ireland Ltd. All rights reserved.

EHME: a new word database for research in Basque language.

PubMed

Acha, Joana; Laka, Itziar; Landa, Josu; Salaburu, Pello

2014-11-14

This article presents EHME, the frequency dictionary of Basque structure, an online program that enables researchers in psycholinguistics to extract word and nonword stimuli, based on a broad range of statistics concerning the properties of Basque words. The database consists of 22.7 million tokens, and properties available include morphological structure frequency and word-similarity measures, apart from classical indexes: word frequency, orthographic structure, orthographic similarity, bigram and biphone frequency, and syllable-based measures. Measures are indexed at the lemma, morpheme and word level. We include reliability and validation analysis. The application is freely available, and enables the user to extract words based on concrete statistical criteria 1 , as well as to obtain statistical characteristics from a list of words

Measurement properties of self-report physical activity assessment tools in stroke: a protocol for a systematic review

PubMed Central

Martins, Júlia Caetano; Aguiar, Larissa Tavares; Nadeau, Sylvie; Scianni, Aline Alvim; Teixeira-Salmela, Luci Fuscaldi; Faria, Christina Danielli Coelho de Morais

2017-01-01

Introduction Self-report physical activity assessment tools are commonly used for the evaluation of physical activity levels in individuals with stroke. A great variety of these tools have been developed and widely used in recent years, which justify the need to examine their measurement properties and clinical utility. Therefore, the main objectives of this systematic review are to examine the measurement properties and clinical utility of self-report measures of physical activity and discuss the strengths and limitations of the identified tools. Methods and analysis A systematic review of studies that investigated the measurement properties and/or clinical utility of self-report physical activity assessment tools in stroke will be conducted. Electronic searches will be performed in five databases: Medical Literature Analysis and Retrieval System Online (MEDLINE) (PubMed), Excerpta Medica Database (EMBASE), Physiotherapy Evidence Database (PEDro), Literatura Latino-Americana e do Caribe em Ciências da Saúde (LILACS) and Scientific Electronic Library Online (SciELO), followed by hand searches of the reference lists of the included studies. Two independent reviewers will screen all retrieve titles, abstracts, and full texts, according to the inclusion criteria and will also extract the data. A third reviewer will be referred to solve any disagreement. A descriptive summary of the included studies will contain the design, participants, as well as the characteristics, measurement properties, and clinical utility of the self-report tools. The methodological quality of the studies will be evaluated using the COnsensus-based Standards for the selection of health Measurement INstruments (COSMIN) checklist and the clinical utility of the identified tools will be assessed considering predefined criteria. This systematic review will follow the Preferred Reporting Items for Systematic Review and Meta-Analyses (PRISMA) statement. Discussion This systematic review will provide an extensive review of the measurement properties and clinical utility of self-report physical activity assessment tools used in individuals with stroke, which would benefit clinicians and researchers. Trial registration number PROSPERO CRD42016037146. PMID:28193848

Materials Characterization at Utah State University: Facilities and Knowledge-base of Electronic Properties of Materials Applicable to Spacecraft Charging

NASA Technical Reports Server (NTRS)

Dennison, J. R.; Thomson, C. D.; Kite, J.; Zavyalov, V.; Corbridge, Jodie

2004-01-01

In an effort to improve the reliability and versatility of spacecraft charging models designed to assist spacecraft designers in accommodating and mitigating the harmful effects of charging on spacecraft, the NASA Space Environments and Effects (SEE) Program has funded development of facilities at Utah State University for the measurement of the electronic properties of both conducting and insulating spacecraft materials. We present here an overview of our instrumentation and capabilities, which are particularly well suited to study electron emission as related to spacecraft charging. These measurements include electron-induced secondary and backscattered yields, spectra, and angular resolved measurements as a function of incident energy, species and angle, plus investigations of ion-induced electron yields, photoelectron yields, sample charging and dielectric breakdown. Extensive surface science characterization capabilities are also available to fully characterize the samples in situ. Our measurements for a wide array of conducting and insulating spacecraft materials have been incorporated into the SEE Charge Collector Knowledge-base as a Database of Electronic Properties of Materials Applicable to Spacecraft Charging. This Database provides an extensive compilation of electronic properties, together with parameterization of these properties in a format that can be easily used with existing spacecraft charging engineering tools and with next generation plasma, charging, and radiation models. Tabulated properties in the Database include: electron-induced secondary electron yield, backscattered yield and emitted electron spectra; He, Ar and Xe ion-induced electron yields and emitted electron spectra; photoyield and solar emittance spectra; and materials characterization including reflectivity, dielectric constant, resistivity, arcing, optical microscopy images, scanning electron micrographs, scanning tunneling microscopy images, and Auger electron spectra. Further details of the instrumentation used for insulator measurements and representative measurements of insulating spacecraft materials are provided in other Spacecraft Charging Conference presentations. The NASA Space Environments and Effects Program, the Air Force Office of Scientific Research, the Boeing Corporation, NASA Graduate Research Fellowships, and the NASA Rocky Mountain Space Grant Consortium have provided support.

LDSplitDB: a database for studies of meiotic recombination hotspots in MHC using human genomic data.

PubMed

Guo, Jing; Chen, Hao; Yang, Peng; Lee, Yew Ti; Wu, Min; Przytycka, Teresa M; Kwoh, Chee Keong; Zheng, Jie

2018-04-20

Meiotic recombination happens during the process of meiosis when chromosomes inherited from two parents exchange genetic materials to generate chromosomes in the gamete cells. The recombination events tend to occur in narrow genomic regions called recombination hotspots. Its dysregulation could lead to serious human diseases such as birth defects. Although the regulatory mechanism of recombination events is still unclear, DNA sequence polymorphisms have been found to play crucial roles in the regulation of recombination hotspots. To facilitate the studies of the underlying mechanism, we developed a database named LDSplitDB which provides an integrative and interactive data mining and visualization platform for the genome-wide association studies of recombination hotspots. It contains the pre-computed association maps of the major histocompatibility complex (MHC) region in the 1000 Genomes Project and the HapMap Phase III datasets, and a genome-scale study of the European population from the HapMap Phase II dataset. Besides the recombination profiles, related data of genes, SNPs and different types of epigenetic modifications, which could be associated with meiotic recombination, are provided for comprehensive analysis. To meet the computational requirement of the rapidly increasing population genomics data, we prepared a lookup table of 400 haplotypes for recombination rate estimation using the well-known LDhat algorithm which includes all possible two-locus haplotype configurations. To the best of our knowledge, LDSplitDB is the first large-scale database for the association analysis of human recombination hotspots with DNA sequence polymorphisms. It provides valuable resources for the discovery of the mechanism of meiotic recombination hotspots. The information about MHC in this database could help understand the roles of recombination in human immune system. DATABASE URL: http://histone.scse.ntu.edu.sg/LDSplitDB.

Environmental Containment Property Estimation Using OSARs in an Expert System

DTIC Science & Technology

1990-09-14

point , melting point , aqueous solubility, octanol/water partition coefficient, vapor pressure, soil/water sorption coefficients, Henry’s Law constants...name, boiling point , melting point , or molecular weight, and the ability to transfer to any of the PEP modules. The chemical property database screen is...Yalkowski et al., 1980): log Ssupercooled liquid = log Ssolid = 0.01(MP - 25) (13) where MP is the compound’s melting point in *C. Property/protiny

Potential Anticancer Properties of Osthol: A Comprehensive Mechanistic Review

PubMed Central

Shokoohinia, Yalda; Jafari, Fataneh; Mohammadi, Zeynab; Bazvandi, Leili; Hosseinzadeh, Leila; Chow, Nicholas; Bhattacharyya, Piyali; Farzaei, Mohammad Hosein; Farooqi, Ammad Ahmad; Nabavi, Seyed Mohammad; Bishayee, Anupam

2018-01-01

Cancer is caused by uncontrolled cell proliferation which has the potential to occur in different tissues and spread into surrounding and distant tissues. Despite the current advances in the field of anticancer agents, rapidly developing resistance against different chemotherapeutic drugs and significantly higher off-target effects cause millions of deaths every year. Osthol is a natural coumarin isolated from Apiaceaous plants which has demonstrated several pharmacological effects, such as antineoplastic, anti-inflammatory and antioxidant properties. We have attempted to summarize up-to-date information related to pharmacological effects and molecular mechanisms of osthol as a lead compound in managing malignancies. Electronic databases, including PubMed, Cochrane library, ScienceDirect and Scopus were searched for in vitro, in vivo and clinical studies on anticancer effects of osthol. Osthol exerts remarkable anticancer properties by suppressing cancer cell growth and induction of apoptosis. Osthol’s protective and therapeutic effects have been observed in different cancers, including ovarian, cervical, colon and prostate cancers as well as chronic myeloid leukemia, lung adenocarcinoma, glioma, hepatocellular, glioblastoma, renal and invasive mammary carcinoma. A large body of evidence demonstrates that osthol regulates apoptosis, proliferation and invasion in different types of malignant cells which are mediated by multiple signal transduction cascades. In this review, we set spotlights on various pathways which are targeted by osthol in different cancers to inhibit cancer development and progression. PMID:29301373

The relationship between target-class and the physicochemical properties of antibacterial drugs

PubMed Central

Mugumbate, Grace; Overington, John P.

2015-01-01

The discovery of novel mechanism of action (MOA) antibacterials has been associated with the concept that antibacterial drugs occupy a differentiated region of physicochemical space compared to human-targeted drugs. With, in broad terms, antibacterials having higher molecular weight, lower log P and higher polar surface area (PSA). By analysing the physicochemical properties of about 1700 approved drugs listed in the ChEMBL database, we show, that antibacterials for whose targets are riboproteins (i.e., composed of a complex of RNA and protein) fall outside the conventional human ‘drug-like’ chemical space; whereas antibacterials that modulate bacterial protein targets, generally comply with the ‘rule-of-five’ guidelines for classical oral human drugs. Our analysis suggests a strong target-class association for antibacterials—either protein-targeted or riboprotein-targeted. There is much discussion in the literature on the failure of screening approaches to deliver novel antibacterial lead series, and linkage of this poor success rate for antibacterials with the chemical space properties of screening collections. Our analysis suggests that consideration of target-class may be an underappreciated factor in antibacterial lead discovery, and that in fact bacterial protein-targets may well have similar binding site characteristics to human protein targets, and questions the assumption that larger, more polar compounds are a key part of successful future antibacterial discovery. PMID:25975639

Mechanical Properties and Failure of Biopolymers: Atomistic Reactions to Macroscale Response

PubMed Central

Jung, GangSeob; Qin, Zhao

2017-01-01

The behavior of chemical bonding under various mechanical loadings is an intriguing mechanochemical property of biological materials, and the property plays a critical role in determining their deformation and failure mechanisms. Because of their astonishing mechanical properties and roles in constituting the basis of a variety of physiologically relevant materials, biological protein materials have been intensively studied. Understanding the relation between chemical bond networks (structures) and their mechanical properties offers great possibilities to enable new materials design in nanotechnology and new medical treatments for human diseases. Here we focus on how the chemical bonds in biological systems affect mechanical properties and how they change during mechanical deformation and failure. Three representative cases of biomaterials related to the human diseases are discussed in case studies, including: amyloids, intermediate filaments, and collagen, each describing mechanochemical features and how they relate to the pathological conditions at multiple scales. PMID:26108895

Creating and Using a Consumer Chemical Molecular Graphics Database: The "Molecule of the Day" - A Great Way To Begin Your Lecture

NASA Astrophysics Data System (ADS)

Scharberg, Maureen A.; Cox, Oran E.; Barelli, Carl A.

1997-07-01

"The Molecule of the Day" consumer chemical database has been created to allow introductory chemistry students to explore molecular structures of chemicals in household products, and to provide opportunities in molecular modeling for undergraduate chemistry students. Before class begins, an overhead transparency is displayed which shows a three-dimensional molecular structure of a household chemical, and lists relevant features and uses of this chemical. Within answers to questionnaires, students have commented that this molecular graphics database has helped them to visually connect the microscopic structure of a molecule with its physical and chemical properties, as well as its uses in consumer products. It is anticipated that this database will be incorporated into a navigational software package such as Netscape.

Anatomy and evolution of database search engines-a central component of mass spectrometry based proteomic workflows.

PubMed

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

2017-09-13

Sequence database search engines are bioinformatics algorithms that identify peptides from tandem mass spectra using a reference protein sequence database. Two decades of development, notably driven by advances in mass spectrometry, have provided scientists with more than 30 published search engines, each with its own properties. In this review, we present the common paradigm behind the different implementations, and its limitations for modern mass spectrometry datasets. We also detail how the search engines attempt to alleviate these limitations, and provide an overview of the different software frameworks available to the researcher. Finally, we highlight alternative approaches for the identification of proteomic mass spectrometry datasets, either as a replacement for, or as a complement to, sequence database search engines. © 2017 Wiley Periodicals, Inc.

Nuclear Data and Reaction Rate Databases in Nuclear Astrophysics

NASA Astrophysics Data System (ADS)

Lippuner, Jonas

2018-06-01

Astrophysical simulations and models require a large variety of micro-physics data, such as equation of state tables, atomic opacities, properties of nuclei, and nuclear reaction rates. Some of the required data is experimentally accessible, but the extreme conditions present in many astrophysical scenarios cannot be reproduced in the laboratory and thus theoretical models are needed to supplement the empirical data. Collecting data from various sources and making them available as a database in a unified format is a formidable task. I will provide an overview of the data requirements in astrophysics with an emphasis on nuclear astrophysics. I will then discuss some of the existing databases, the science they enable, and their limitations. Finally, I will offer some thoughts on how to design a useful database.

High performance semantic factoring of giga-scale semantic graph databases.

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

al-Saffar, Sinan; Adolf, Bob; Haglin, David

2010-10-01

As semantic graph database technology grows to address components ranging from extant large triple stores to SPARQL endpoints over SQL-structured relational databases, it will become increasingly important to be able to bring high performance computational resources to bear on their analysis, interpretation, and visualization, especially with respect to their innate semantic structure. Our research group built a novel high performance hybrid system comprising computational capability for semantic graph database processing utilizing the large multithreaded architecture of the Cray XMT platform, conventional clusters, and large data stores. In this paper we describe that architecture, and present the results of our deployingmore » that for the analysis of the Billion Triple dataset with respect to its semantic factors, including basic properties, connected components, namespace interaction, and typed paths.« less

Parametrization of an Orbital-Based Linear-Scaling Quantum Force Field for Noncovalent Interactions

PubMed Central

2015-01-01

We parametrize a linear-scaling quantum mechanical force field called mDC for the accurate reproduction of nonbonded interactions. We provide a new benchmark database of accurate ab initio interactions between sulfur-containing molecules. A variety of nonbond databases are used to compare the new mDC method with other semiempirical, molecular mechanical, ab initio, and combined semiempirical quantum mechanical/molecular mechanical methods. It is shown that the molecular mechanical force field significantly and consistently reproduces the benchmark results with greater accuracy than the semiempirical models and our mDC model produces errors twice as small as the molecular mechanical force field. The comparisons between the methods are extended to the docking of drug candidates to the Cyclin-Dependent Kinase 2 protein receptor. We correlate the protein–ligand binding energies to their experimental inhibition constants and find that the mDC produces the best correlation. Condensed phase simulation of mDC water is performed and shown to produce O–O radial distribution functions similar to TIP4P-EW. PMID:24803856

Region grouping in natural foliage scenes: image statistics and human performance.

PubMed

Ing, Almon D; Wilson, J Anthony; Geisler, Wilson S

2010-04-27

This study investigated the mechanisms of grouping and segregation in natural scenes of close-up foliage, an important class of scenes for human and non-human primates. Close-up foliage images were collected with a digital camera calibrated to match the responses of human L, M, and S cones at each pixel. The images were used to construct a database of hand-segmented leaves and branches that correctly localizes the image region subtended by each object. We considered a task where a visual system is presented with two image patches and is asked to assign a category label (either same or different) depending on whether the patches appear to lie on the same surface or different surfaces. We estimated several approximately ideal classifiers for the task, each of which used a unique set of image properties. Of the image properties considered, we found that ideal classifiers rely primarily on the difference in average intensity and color between patches, and secondarily on the differences in the contrasts between patches. In psychophysical experiments, human performance mirrored the trends predicted by the ideal classifiers. In an initial phase without corrective feedback, human accuracy was slightly below ideal. After practice with feedback, human accuracy was approximately ideal.

Understanding the properties of common dietary supplements: clinical implications for healthcare practitioners.

PubMed

Zelig, Rena; Rigassio Radler, Diane

2012-12-01

Dietary supplement usage in the United States continues to increase. This article explores the background of dietary supplements and their regulations, discusses trends in usage patterns highlighting the properties of 10 popular dietary supplements, addresses safety concerns and drug-nutrient interactions, and discusses the role of the healthcare professional in assessing and recommending usage of dietary supplements. The authors reviewed the literature on dietary supplementation. Government websites were used to obtain background and regulatory information. Evidence-based databases were used to summarize popular dietary supplements in terms of their common uses, mechanisms of action, and clinical implications. The related literature was reviewed to discuss important factors for the healthcare professional to consider as well as the role of the healthcare professional in integrating dietary supplement use within patient care. Healthcare professionals need to be prepared to evaluate dietary supplement usage and make appropriate recommendations for an individualized plan of care. As the popularity of dietary supplements continues to grow, healthcare professionals will need to communicate with patients about their usage; educate themselves on their potential benefits, interactions, and contraindications; evaluate the literature; make recommendations; and document appropriately in a comprehensive and integrated plan of care.

An Analysis of NASA Technology Transfer. Degree awarded by Pennsylvania State Univ.

NASA Technical Reports Server (NTRS)

Bush, Lance B.

1996-01-01

A review of previous technology transfer metrics, recommendations, and measurements is presented within the paper. A quantitative and qualitative analysis of NASA's technology transfer efforts is performed. As a relative indicator, NASA's intellectual property performance is benchmarked against a database of over 100 universities. Successful technology transfer (commercial sales, production savings, etc.) cases were tracked backwards through their history to identify the key critical elements that lead to success. Results of this research indicate that although NASA's performance is not measured well by quantitative values (intellectual property stream data), it has a net positive impact on the private sector economy. Policy recommendations are made regarding technology transfer within the context of the documented technology transfer policies since the framing of the Constitution. In the second thrust of this study, researchers at NASA Langley Research Center were surveyed to determine their awareness of, attitude toward, and perception about technology transfer. Results indicate that although researchers believe technology transfer to be a mission of the Agency, they should not be held accountable or responsible for its performance. In addition, the researchers are not well educated about the mechanisms to perform, or policies regarding, technology transfer.

The Changing Face of Scientific Discourse: Analysis of Genomic and Proteomic Database Usage and Acceptance.

ERIC Educational Resources Information Center

Brown, Cecelia

2003-01-01

Discusses the growth in use and acceptance of Web-based genomic and proteomic databases (GPD) in scholarly communication. Confirms the role of GPD in the scientific literature cycle, suggests GPD are a storage and retrieval mechanism for molecular biology information, and recommends that existing models of scientific communication be updated to…

MTF Database: A Repository of Students' Academic Performance Measurements for the Development of Techniques for Evaluating Team Functioning

ERIC Educational Resources Information Center

Hsiung, Chin-Min; Zheng, Xiang-Xiang

2015-01-01

The Measurements for Team Functioning (MTF) database contains a series of student academic performance measurements obtained at a national university in Taiwan. The measurements are acquired from unit tests and homework tests performed during a core mechanical engineering course, and provide an objective means of assessing the functioning of…

Data Recycling: Using Existing Databases to Increase Research Capacity in Speech-Language Development and Disorders

ERIC Educational Resources Information Center

Justice, Laura M.; Breit-Smith, Allison; Rogers, Margaret

2010-01-01

Purpose: This clinical forum was organized to provide a means for informing the research and clinical communities of one mechanism through which research capacity might be enhanced within the field of speech-language pathology. Specifically, forum authors describe the process of conducting secondary analyses of extant databases to answer questions…

Intrinsic and extrinsic mechanical properties related to the differentiation of mesenchymal stem cells.

PubMed

Lee, Jin-Ho; Park, Hun-Kuk; Kim, Kyung Sook

2016-05-06

Diverse intrinsic and extrinsic mechanical factors have a strong influence on the regulation of stem cell fate. In this work, we examined recent literature on the effects of mechanical environments on stem cells, especially on differentiation of mesenchymal stem cells (MSCs). We provide a brief review of intrinsic mechanical properties of single MSC and examined the correlation between the intrinsic mechanical property of MSC and the differentiation ability. The effects of extrinsic mechanical factors relevant to the differentiation of MSCs were considered separately. The effect of nanostructure and elasticity of the matrix on the differentiation of MSCs were summarized. Finally, we consider how the extrinsic mechanical properties transfer to MSCs and then how the effects on the intrinsic mechanical properties affect stem cell differentiation. Copyright © 2015 Elsevier Inc. All rights reserved.

Effect of crystallographic orientations of grains on the global mechanical properties of steel sheets by depth sensing indentation

NASA Astrophysics Data System (ADS)

Burik, P.; Pesek, L.; Kejzlar, P.; Andrsova, Z.; Zubko, P.

2017-01-01

The main idea of this work is using a physical model to prepare a virtual material with required properties. The model is based on the relationship between the microstructure and mechanical properties. The macroscopic (global) mechanical properties of steel are highly dependent upon microstructure, crystallographic orientation of grains, distribution of each phase present, etc... We need to know the local mechanical properties of each phase separately in multiphase materials. The grain size is a scale, where local mechanical properties are responsible for the behavior. Nanomechanical testing using depth sensing indentation (DSI) provides a straightforward solution for quantitatively characterizing each of phases in microstructure because it is very powerful technique for characterization of materials in small volumes. The aim of this experimental investigation is: (i) to prove how the mixing rule works for local mechanical properties (indentation hardness HIT) in microstructure scale using the DSI technique on steel sheets with different microstructure; (ii) to compare measured global properties with properties achieved by mixing rule; (iii) to analyze the effect of crystallographic orientations of grains on the mixing rule.

ISSARS Aerosol Database : an Incorporation of Atmospheric Particles into a Universal Tool to Simulate Remote Sensing Instruments

NASA Technical Reports Server (NTRS)

Goetz, Michael B.

2011-01-01

The Instrument Simulator Suite for Atmospheric Remote Sensing (ISSARS) entered its third and final year of development with an overall goal of providing a unified tool to simulate active and passive space borne atmospheric remote sensing instruments. These simulations focus on the atmosphere ranging from UV to microwaves. ISSARS handles all assumptions and uses various models on scattering and microphysics to fill the gaps left unspecified by the atmospheric models to create each instrument's measurements. This will help benefit mission design and reduce mission cost, create efficient implementation of multi-instrument/platform Observing System Simulation Experiments (OSSE), and improve existing models as well as new advanced models in development. In this effort, various aerosol particles are incorporated into the system, and a simulation of input wavelength and spectral refractive indices related to each spherical test particle(s) generate its scattering properties and phase functions. These atmospheric particles being integrated into the system comprise the ones observed by the Multi-angle Imaging SpectroRadiometer(MISR) and by the Multiangle SpectroPolarimetric Imager(MSPI). In addition, a complex scattering database generated by Prof. Ping Yang (Texas A&M) is also incorporated into this aerosol database. Future development with a radiative transfer code will generate a series of results that can be validated with results obtained by the MISR and MSPI instruments; nevertheless, test cases are simulated to determine the validity of various plugin libraries used to determine or gather the scattering properties of particles studied by MISR and MSPI, or within the Single-scattering properties of tri-axial ellipsoidal mineral dust particles database created by Prof. Ping Yang.

Computational Modeling as a Design Tool in Microelectronics Manufacturing

NASA Technical Reports Server (NTRS)

Meyyappan, Meyya; Arnold, James O. (Technical Monitor)

1997-01-01

Plans to introduce pilot lines or fabs for 300 mm processing are in progress. The IC technology is simultaneously moving towards 0.25/0.18 micron. The convergence of these two trends places unprecedented stringent demands on processes and equipments. More than ever, computational modeling is called upon to play a complementary role in equipment and process design. The pace in hardware/process development needs a matching pace in software development: an aggressive move towards developing "virtual reactors" is desirable and essential to reduce design cycle and costs. This goal has three elements: reactor scale model, feature level model, and database of physical/chemical properties. With these elements coupled, the complete model should function as a design aid in a CAD environment. This talk would aim at the description of various elements. At the reactor level, continuum, DSMC(or particle) and hybrid models will be discussed and compared using examples of plasma and thermal process simulations. In microtopography evolution, approaches such as level set methods compete with conventional geometric models. Regardless of the approach, the reliance on empricism is to be eliminated through coupling to reactor model and computational surface science. This coupling poses challenging issues of orders of magnitude variation in length and time scales. Finally, database development has fallen behind; current situation is rapidly aggravated by the ever newer chemistries emerging to meet process metrics. The virtual reactor would be a useless concept without an accompanying reliable database that consists of: thermal reaction pathways and rate constants, electron-molecule cross sections, thermochemical properties, transport properties, and finally, surface data on the interaction of radicals, atoms and ions with various surfaces. Large scale computational chemistry efforts are critical as experiments alone cannot meet database needs due to the difficulties associated with such controlled experiments and costs.

Valence, arousal, familiarity, concreteness, and imageability ratings for 292 two-character Chinese nouns in Cantonese speakers in Hong Kong.

PubMed

Yee, Lydia T S

2017-01-01

Words are frequently used as stimuli in cognitive psychology experiments, for example, in recognition memory studies. In these experiments, it is often desirable to control for the words' psycholinguistic properties because differences in such properties across experimental conditions might introduce undesirable confounds. In order to avoid confounds, studies typically check to see if various affective and lexico-semantic properties are matched across experimental conditions, and so databases that contain values for these properties are needed. While word ratings for these variables exist in English and other European languages, ratings for Chinese words are not comprehensive. In particular, while ratings for single characters exist, ratings for two-character words-which often have different meanings than their constituent characters, are scarce. In this study, ratings for 292 two-character Chinese nouns were obtained from Cantonese speakers in Hong Kong. Affective variables, including valence and arousal, and lexico-semantic variables, including familiarity, concreteness, and imageability, were rated in the study. The words were selected from a film subtitle database containing word frequency information that could be extracted and listed alongside the resulting ratings. Overall, the subjective ratings showed good reliability across all rated dimensions, as well as good reliability within and between the different groups of participants who each rated a subset of the words. Moreover, several well-established relationships between the variables found consistently in other languages were also observed in this study, demonstrating that the ratings are valid. The resulting word database can be used in studies where control for the above psycholinguistic variables is critical to the research design.

Macrostrat: A Platform for Geological Data Integration and Deep-Time Earth Crust Research

NASA Astrophysics Data System (ADS)

Peters, Shanan E.; Husson, Jon M.; Czaplewski, John

2018-04-01

Characterizing the lithology, age, and physical-chemical properties of rocks and sediments in the Earth's upper crust is necessary to fully assess energy, water, and mineral resources and to address many fundamental questions. Although a large number of geological maps, regional geological syntheses, and sample-based measurements have been produced, there is no openly available database that integrates rock record-derived data, while also facilitating large-scale, quantitative characterization of the volume, age, and material properties of the upper crust. Here we describe Macrostrat, a relational geospatial database and supporting cyberinfrastructure that is designed to enable quantitative spatial and geochronological analyses of the entire assemblage of surface and subsurface sedimentary, igneous, and metamorphic rocks. Macrostrat contains general, comprehensive summaries of the age and properties of 33,903 lithologically and chronologically defined geological units distributed across 1,474 regions in North and South America, the Caribbean, New Zealand, and the deep sea. Sample-derived data, including fossil occurrences in the Paleobiology Database, more than 180,000 geochemical and outcrop-derived measurements, and more than 2.3 million bedrock geologic map units from over 200 map sources, are linked to specific Macrostrat units and/or lithologies. Macrostrat has generated numerous quantitative results and its infrastructure is used as a data platform in several independently developed mobile applications. It is necessary to expand geographic coverage and to refine age models and material properties to arrive at a more precise characterization of the upper crust globally and test fundamental hypotheses about the long-term evolution of Earth systems.

DNetDB: The human disease network database based on dysfunctional regulation mechanism.

PubMed

Yang, Jing; Wu, Su-Juan; Yang, Shao-You; Peng, Jia-Wei; Wang, Shi-Nuo; Wang, Fu-Yan; Song, Yu-Xing; Qi, Ting; Li, Yi-Xue; Li, Yuan-Yuan

2016-05-21

Disease similarity study provides new insights into disease taxonomy, pathogenesis, which plays a guiding role in diagnosis and treatment. The early studies were limited to estimate disease similarities based on clinical manifestations, disease-related genes, medical vocabulary concepts or registry data, which were inevitably biased to well-studied diseases and offered small chance of discovering novel findings in disease relationships. In other words, genome-scale expression data give us another angle to address this problem since simultaneous measurement of the expression of thousands of genes allows for the exploration of gene transcriptional regulation, which is believed to be crucial to biological functions. Although differential expression analysis based methods have the potential to explore new disease relationships, it is difficult to unravel the upstream dysregulation mechanisms of diseases. We therefore estimated disease similarities based on gene expression data by using differential coexpression analysis, a recently emerging method, which has been proved to be more potential to capture dysfunctional regulation mechanisms than differential expression analysis. A total of 1,326 disease relationships among 108 diseases were identified, and the relevant information constituted the human disease network database (DNetDB). Benefiting from the use of differential coexpression analysis, the potential common dysfunctional regulation mechanisms shared by disease pairs (i.e. disease relationships) were extracted and presented. Statistical indicators, common disease-related genes and drugs shared by disease pairs were also included in DNetDB. In total, 1,326 disease relationships among 108 diseases, 5,598 pathways, 7,357 disease-related genes and 342 disease drugs are recorded in DNetDB, among which 3,762 genes and 148 drugs are shared by at least two diseases. DNetDB is the first database focusing on disease similarity from the viewpoint of gene regulation mechanism. It provides an easy-to-use web interface to search and browse the disease relationships and thus helps to systematically investigate etiology and pathogenesis, perform drug repositioning, and design novel therapeutic interventions.Database URL: http://app.scbit.org/DNetDB/ #.

M4FT-16LL080302052-Update to Thermodynamic Database Development and Sorption Database Integration

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

Zavarin, Mavrik; Wolery, T. J.; Atkins-Duffin, C.

2016-08-16

This progress report (Level 4 Milestone Number M4FT-16LL080302052) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Argillite Disposal R&D Work Package Number FT-16LL08030205. The focus of this research is the thermodynamic modeling of Engineered Barrier System (EBS) materials and properties and development of thermodynamic databases and models to evaluate the stability of EBS materials and their interactions with fluids at various physico-chemical conditions relevant to subsurface repository environments. The development and implementation of equilibrium thermodynamic models are intended to describe chemical and physical processes such as solubility, sorption, and diffusion.

DBCreate: A SUPCRT92-based program for producing EQ3/6, TOUGHREACT, and GWB thermodynamic databases at user-defined T and P

NASA Astrophysics Data System (ADS)

Kong, Xiang-Zhao; Tutolo, Benjamin M.; Saar, Martin O.

2013-02-01

SUPCRT92 is a widely used software package for calculating the standard thermodynamic properties of minerals, gases, aqueous species, and reactions. However, it is labor-intensive and error-prone to use it directly to produce databases for geochemical modeling programs such as EQ3/6, the Geochemist's Workbench, and TOUGHREACT. DBCreate is a SUPCRT92-based software program written in FORTRAN90/95 and was developed in order to produce the required databases for these programs in a rapid and convenient way. This paper describes the overall structure of the program and provides detailed usage instructions.

Geologic and geophysical maps of the El Casco 7.5′ quadrangle, Riverside County, southern California, with accompanying geologic-map database

USGS Publications Warehouse

Matti, J.C.; Morton, D.M.; Langenheim, V.E.

2015-01-01

Geologic information contained in the El Casco database is general-purpose data applicable to land-related investigations in the earth and biological sciences. The term “general-purpose” means that all geologic-feature classes have minimal information content adequate to characterize their general geologic characteristics and to interpret their general geologic history. However, no single feature class has enough information to definitively characterize its properties and origin. For this reason the database cannot be used for site-specific geologic evaluations, although it can be used to plan and guide investigations at the site-specific level.

ARTI refrigerant database

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

Calm, J.M.

1998-03-15

The Refrigerant Database is an information system on alternative refrigerants, associated lubricants, and their use in air conditioning and refrigeration. It consolidates and facilitates access to thermophysical properties, compatibility, environmental, safety, application and other information. It provides corresponding information on older refrigerants, to assist manufacturers and those using alternative refrigerants, to make comparisons and determine differences. The underlying purpose is to accelerate phase out of chemical compounds of environmental concern. The database provides bibliographic citations and abstracts for publications that may be useful in research and design of air conditioning and refrigeration equipment. It also references documents addressing compatibility ofmore » refrigerants and lubricants with other materials.« less

High-Frequency Oscillatory Ventilation Use and Severe Pediatric ARDS in the Pediatric Hematopoietic Cell Transplant Recipient.

PubMed

Rowan, Courtney M; Loomis, Ashley; McArthur, Jennifer; Smith, Lincoln S; Gertz, Shira J; Fitzgerald, Julie C; Nitu, Mara E; Moser, Elizabeth As; Hsing, Deyin D; Duncan, Christine N; Mahadeo, Kris M; Moffet, Jerelyn; Hall, Mark W; Pinos, Emily L; Tamburro, Robert F; Cheifetz, Ira M

2018-04-01

The effectiveness of high-frequency oscillatory ventilation (HFOV) in the pediatric hematopoietic cell transplant patient has not been established. We sought to identify current practice patterns of HFOV, investigate parameters during HFOV and their association with mortality, and compare the use of HFOV to conventional mechanical ventilation in severe pediatric ARDS. This is a retrospective analysis of a multi-center database of pediatric and young adult allogeneic hematopoietic cell transplant subjects requiring invasive mechanical ventilation for critical illness from 2009 through 2014. Twelve United States pediatric centers contributed data. Continuous variables were compared using a Wilcoxon rank-sum test or a Kruskal-Wallis analysis. For categorical variables, univariate analysis with logistic regression was performed. The database contains 222 patients, of which 85 subjects were managed with HFOV. Of this HFOV cohort, the overall pediatric ICU survival was 23.5% ( n = 20). HFOV survivors were transitioned to HFOV at a lower oxygenation index than nonsurvivors (25.6, interquartile range 21.1-36.8, vs 37.2, interquartile range 26.5-52.2, P = .046). Survivors were transitioned to HFOV earlier in the course of mechanical ventilation, (day 0 vs day 2, P = .002). No subject survived who was transitioned to HFOV after 1 week of invasive mechanical ventilation. We compared subjects with severe pediatric ARDS treated only with conventional mechanical ventilation versus early HFOV (within 2 d of invasive mechanical ventilation) versus late HFOV. There was a trend toward difference in survival (conventional mechanical ventilation 24%, early HFOV 30%, and late HFOV 9%, P = .08). In this large database of pediatric allogeneic hematopoietic cell transplant subjects who had acute respiratory failure requiring invasive mechanical ventilation for critical illness with severe pediatric ARDS, early use of HFOV was associated with improved survival compared to late implementation of HFOV, and the subjects had outcomes similar to those treated only with conventional mechanical ventilation. Copyright © 2018 by Daedalus Enterprises.

Star Formation in Undergraduate ALFALFA Team Galaxy Groups and Clusters

NASA Astrophysics Data System (ADS)

Koopmann, Rebecca A.; Durbala, Adriana; Finn, Rose; Haynes, Martha P.; Coble, Kimberly A.; Craig, David W.; Hoffman, G. Lyle; Miller, Brendan P.; Crone-Odekon, Mary; O'Donoghue, Aileen A.; Troischt, Parker; Undergraduate ALFALFA Team; ALFALFA Team

2017-01-01

The Undergraduate ALFALFA Team (UAT) Groups project is a coordinated study of gas and star formation properties of galaxies in and around 36 nearby (z<0.03) groups and clusters of varied richness, morphological type mix, and X-ray luminosity. By studying a large range of environments and considering the spatial distributions of star formation, we probe mechanisms of gas depletion and morphological transformation. The project uses ALFALFA HI observations, optical observations, and digital databases like SDSS, and incorporates work undertaken by faculty and students at different institutions within the UAT. Here we present results from our wide area Hα and broadband R imaging project carried out with the WIYN 0.9m+MOSAIC/HDI at KPNO, including an analysis of radial star formation rates and extents of galaxies in the NGC 5846, Abell 779, NRGb331, and HCG 69 groups/clusters. This work has been supported by NSF grant AST-1211005 and AST-1637339.

Characterization of Radiation Fields for Assessing Concrete Degradation in Biological Shields of NPPs

NASA Astrophysics Data System (ADS)

Remec, Igor; Rosseel, Thomas M.; Field, Kevin G.; Pape, Yann Le

2017-09-01

Life extensions of nuclear power plants (NPPs) to 60 years of operation and the possibility of subsequent license renewal to 80 years have renewed interest in long-term material degradation in NPPs. Large irreplaceable sections of most nuclear generating stations are constructed from concrete, including safety-related structures such as biological shields and containment buildings; therefore, concrete degradation is being considered with particular focus on radiation-induced effects. Based on the projected neutron fluence values (E > 0.1 MeV) in the concrete biological shields of the US pressurized water reactor fleet and the currently available data on radiation effects on concrete, some decrease in mechanical properties of concrete cannot be ruled out during extended operation beyond 60 years. An expansion of the irradiated concrete database is desirable to ensure reliable risk assessment for extended operation of nuclear power plants.

Intrinsic paleointensity bias and the long-term history of the geodynamo.

PubMed

Smirnov, Aleksey V; Kulakov, Evgeniy V; Foucher, Marine S; Bristol, Katie E

2017-02-01

Many geodynamo models predict an inverse relationship between geomagnetic reversal frequency and field strength. However, most of the absolute paleointensity data, obtained predominantly by the Thellier method from bulk volcanic rocks, fail to confirm this relationship. Although low paleointensities are commonly observed during periods of high reversal rate (notably, in the late Jurassic), higher than present-day intensity values are rare during periods of no or few reversals (superchrons). We have identified a fundamental mechanism that results in a pervasive and previously unrecognized low-field bias that affects most paleointensity data in the global database. Our results provide an explanation for the discordance between the experimental data and numerical models, and lend additional support to an inverse relationship between the reversal rate and field strength as a fundamental property of the geodynamo. We demonstrate that the accuracy of future paleointensity analyses can be improved by integration of the Thellier protocol with low-temperature demagnetizations.

Intrinsic paleointensity bias and the long-term history of the geodynamo

PubMed Central

Smirnov, Aleksey V.; Kulakov, Evgeniy V.; Foucher, Marine S.; Bristol, Katie E.

2017-01-01

Many geodynamo models predict an inverse relationship between geomagnetic reversal frequency and field strength. However, most of the absolute paleointensity data, obtained predominantly by the Thellier method from bulk volcanic rocks, fail to confirm this relationship. Although low paleointensities are commonly observed during periods of high reversal rate (notably, in the late Jurassic), higher than present-day intensity values are rare during periods of no or few reversals (superchrons). We have identified a fundamental mechanism that results in a pervasive and previously unrecognized low-field bias that affects most paleointensity data in the global database. Our results provide an explanation for the discordance between the experimental data and numerical models, and lend additional support to an inverse relationship between the reversal rate and field strength as a fundamental property of the geodynamo. We demonstrate that the accuracy of future paleointensity analyses can be improved by integration of the Thellier protocol with low-temperature demagnetizations. PMID:28246644

Effect of biomaterials on angiogenesis during vital pulp therapy

PubMed Central

SAGHIRI, Mohammad Ali; ASATOURIAN, Armen; GARCIA-GODOY, Franklin; SHEIBANI, Nader

2016-01-01

This review intended to provide an overview of the effects of dental materials, used in dentin-pulp complex and dental pulp regeneration, on angiogenesis processes during regenerative endodontic procedures. An electronic search was performed in PubMed and MEDLINE databases via OVID using the keywords mentioned in the PubMed and MeSH headings for English language published articles from January 2005–April 2014 that evaluated the angiogenic properties of different dental materials used in regenerative endodontic procedures. Of the articles identified in an initial search, only 40 articles met the inclusion criteria set for this review. Vital pulp therapy materials might have positive effects on angiogenesis events, while most of the canal irrigating solutions and antibiotic pastes have anti-angiogenic activity except for EDTA. Future clinical studies will be helpful in defining the mechanisms of action for dental materials that promote or inhibit angiogenesis events at applied areas. PMID:27546854

A Review on Potential Mechanisms of Terminalia chebula in Alzheimer's Disease

PubMed Central

Afshari, Amir R.; Sadeghnia, Hamid R.; Mollazadeh, Hamid

2016-01-01

The current management of Alzheimer's disease (AD) focuses on acetylcholinesterase inhibitors (AChEIs) and NMDA receptor antagonists, although outcomes are not completely favorable. Hence, novel agents found in herbal plants are gaining attention as possible therapeutic alternatives. The Terminalia chebula (Family: Combretaceae) is a medicinal plant with a wide spectrum of medicinal properties and is reported to contain various biochemicals such as hydrolysable tannins, phenolic compounds, and flavonoids, so it may prove to be a good therapeutic alternative. In this research, we reviewed published scientific literature found in various databases: PubMed, Science Direct, Scopus, Web of Science, Scirus, and Google Scholar, with the keywords: T. chebula, AD, neuroprotection, medicinal plant, antioxidant, ellagitannin, gallotannin, gallic acid, chebulagic acid, and chebulinic acid. This review shows that T. chebula extracts and its constituents have AChEI and antioxidant and anti-inflammatory effects, all of which are currently relevant to the treatment of Alzheimer's disease. PMID:26941792

Microstructure and mechanical properties of sheep horn.

PubMed

Zhu, Bing; Zhang, Ming; Zhao, Jian

2016-07-01

The sheep horn presents outstanding mechanical properties of impact resistance and energy absorption, which suits the need of the vehicle bumper design, but the mechanism behind this phenomenon is less investigated. The microstructure and mechanical properties of the sheep horn of Small Tailed Han Sheep (Ovis aries) living in northeast China were investigated in this article. The effect of sampling position and orientation of the sheep horn sheath on mechanical properties were researched by tensile and compression tests. Meanwhile, the surface morphology and microstructure of the sheep horn were observed using scanning electron microscopy (SEM). The formation mechanism of the mechanical properties of the sheep horn was investigated by biological coupling analysis. The analytical results indicated that the outstanding mechanical properties of the sheep horn are determined by configuration, structure, surface morphology and material coupling elements. These biological coupling elements make the sheep horn possess super characteristics of crashworthiness and energy absorption through the internal coupling mechanism. We suppose that these findings would make a difference in vehicle bumper design. Microsc. Res. Tech. 79:664-674, 2016. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Intellectual property issues in holography and high tech

NASA Astrophysics Data System (ADS)

Reingand, Nadya

2004-06-01

The author with technical education background (Ph.D. in holography) shares her 3+ years of experience working on intellectual property (IP) issues that includes patents, trademarks, and copyrights. A special attention is paid to the patent issues: the application procedure, the patent requirements, the databases for prior art search, how to make the cost efficient filing.

Volumetric Properties of the Mixture Pentafluoroethane C2HF5 + C2H4F2 1,1-Difluoroethane (LB1530, VMSD1541)

NASA Astrophysics Data System (ADS)

Cibulka, I.; Hnědkovský, L.; Fontaine, J.-C.; Sosnkowska-Kehiaian, K.; Kehiaian, H. V.

This document is part of Subvolume A `Binary Liquid Systems of Nonelectrolytes' of Volume 23 `Volumetric Properties of Mixtures and Solutions' of Landolt-Börnstein Group IV `Physical Chemistry'. It corresponds to the data set LB1530 of the ELBT database.

Constitutive Equations: Plastic and Viscoelastic Properties. (Latest citations from the Aerospace Database)

NASA Technical Reports Server (NTRS)

1997-01-01

The bibliography contains citations concerning analytical techniques using constitutive equations, applied to materials under stress. The properties explored with these techniques include viscoelasticity, thermoelasticity, and plasticity. While many of the references are general as to material type, most refer to specific metals or composites, or to specific shapes, such as flat plate or spherical vessels.

CRITICAL MECHANICAL PROPERTIES OF STRUCTURAL LIGHT-WEIGHT CONCRETE AND THE EFFECTS OF THESE PROPERTIES ON THE DESIGN OF THE PAVEMENT STRUCTURE.

DOT National Transportation Integrated Search

1965-01-01

In this study, critical mechanical properties of structural lightweight concrete were determined and utilized in the evaluation of a design of concrete pavements. Also presented are the critical mechanical properties resulting from unrestrained and r...

Shell-binary nanoparticle materials with variable electrical and electro-mechanical properties.

PubMed

Zhang, P; Bousack, H; Dai, Y; Offenhäusser, A; Mayer, D

2018-01-18

Nanoparticle (NP) materials with the capability to adjust their electrical and electro-mechanical properties facilitate applications in strain sensing technology. Traditional NP materials based on single component NPs lack a systematic and effective means of tuning their electrical and electro-mechanical properties. Here, we report on a new type of shell-binary NP material fabricated by self-assembly with either homogeneous or heterogeneous arrangements of NPs. Variable electrical and electro-mechanical properties were obtained for both materials. We show that the electrical and electro-mechanical properties of these shell-binary NP materials are highly tunable and strongly affected by the NP species as well as their corresponding volume fraction ratio. The conductivity and the gauge factor of these shell-binary NP materials can be altered by about five and two orders of magnitude, respectively. These shell-binary NP materials with different arrangements of NPs also demonstrate different volume fraction dependent electro-mechanical properties. The shell-binary NP materials with a heterogeneous arrangement of NPs exhibit a peaking of the sensitivity at medium mixing ratios, which arises from the aggregation induced local strain enhancement. Studies on the electron transport regimes and micro-morphologies of these shell-binary NP materials revealed the different mechanisms accounting for the variable electrical and electro-mechanical properties. A model based on effective medium theory is used to describe the electrical and electro-mechanical properties of such shell-binary nanomaterials and shows an excellent match with experiment data. These shell-binary NP materials possess great potential applications in high-performance strain sensing technology due to their variable electrical and electro-mechanical properties.

Vascular mechanics of the coronary artery

NASA Technical Reports Server (NTRS)

Veress, A. I.; Vince, D. G.; Anderson, P. M.; Cornhill, J. F.; Herderick, E. E.; Klingensmith, J. D.; Kuban, B. D.; Greenberg, N. L.; Thomas, J. D.

2000-01-01

This paper describes our research into the vascular mechanics of the coronary artery and plaque. The three sections describe the determination of arterial mechanical properties using intravascular ultrasound (IVUS), a constitutive relation for the arterial wall, and finite element method (FEM) models of the arterial wall and atheroma. METHODS: Inflation testing of porcine left anterior descending coronary arteries was conducted. The changes in the vessel geometry were monitored using IVUS, and intracoronary pressure was recorded using a pressure transducer. The creep and quasistatic stress/strain responses were determined. A Standard Linear Solid (SLS) was modified to reproduce the non-linear elastic behavior of the arterial wall. This Standard Non-linear Solid (SNS) was implemented into an axisymetric thick-walled cylinder numerical model. Finite element analysis models were created for five age groups and four levels of stenosis using the Pathobiological Determinants of Atherosclerosis Youth (PDAY) database. RESULTS: The arteries exhibited non-linear elastic behavior. The total tissue creep strain was epsilon creep = 0.082 +/- 0.018 mm/mm. The numerical model could reproduce both the non-linearity of the porcine data and time dependent behavior of the arterial wall found in the literature with a correlation coefficient of 0.985. Increasing age had a strong positive correlation with the shoulder stress level, (r = 0.95). The 30% stenosis had the highest shoulder stress due to the combination of a fully formed lipid pool and a thin cap. CONCLUSIONS: Studying the solid mechanics of the arterial wall and the atheroma provide important insights into the mechanisms involved in plaque rupture.

Optimization of the Controlled Evaluation of Closed Relational Queries

NASA Astrophysics Data System (ADS)

Biskup, Joachim; Lochner, Jan-Hendrik; Sonntag, Sebastian

For relational databases, controlled query evaluation is an effective inference control mechanism preserving confidentiality regarding a previously declared confidentiality policy. Implementations of controlled query evaluation usually lack efficiency due to costly theorem prover calls. Suitably constrained controlled query evaluation can be implemented efficiently, but is not flexible enough from the perspective of database users and security administrators. In this paper, we propose an optimized framework for controlled query evaluation in relational databases, being efficiently implementable on the one hand and relaxing the constraints of previous approaches on the other hand.

On mimicking diffuse reflectance spectra in the visible and near-infrared ranges for tissue-like phantom design

NASA Astrophysics Data System (ADS)

Debernardi, N.; Dunias, P.; van El, B.; Statham, A. E.

2014-03-01

A novel methodology is presented to mimic diffuse reflectance spectra of arbitrary biological tissues in the visible and near-infrared ranges. The prerequisite for this method is that the spectral information of basic components is sufficient to mimic an arbitrary tissue. Using a sterile disposable fiber optic probe the diffuse reflectance spectrum of a tissue (either in vivo or ex vivo) is measured, which forms the target spectrum. With the same type of fiber probe, a wide variety of basic components (ingredients) has been previously measured and all together forms a spectral database. A "recipe" for the optimal mixture of ingredients can then be derived using an algorithm that fits the absorption and scattering behavior of the target spectrum using the spectra of the basic components in the database. The spectral mimicking accuracy refines by adding more ingredients to the database. The validity of the principle is demonstrated by mimicking an arbitrary mixture of components. The method can be applied with different kinds of materials, e.g. gelatins, waxes and silicones, thus providing the possibility of mimicking the mechanical properties of target tissues as well. The algorithm can be extended from single point contact spectral measurement to contactless multi- and hyper-spectral camera acquisition. It can be applied to produce portable and durable tissue-like phantoms that provides consistent results over time for calibration, demonstration, comparison of instruments or other such tasks. They are also more readily available than living tissue or a cadaver and are not so limited by ease of handling and legislation; hence they are highly useful when developing new devices.

Mechanical properties and leaching modeling of activated incinerator bottom ash in Portland cement blends

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

Onori, Roberta, E-mail: Roberta.onori@uniroma1.it; Polettini, Alessandra; Pomi, Raffaella

2011-02-15

In the present study the evolution of mechanical strength and the leaching behavior of major and trace elements from activated incinerator bottom ash/Portland cement mixtures were investigated. Chemical and mechanical activation were applied with the purpose of improving the reactivity of bottom ash in cement blends. Chemical activation made use of NaOH, KOH, CaCl{sub 2} or CaSO{sub 4}, which were selected for the experimental campaign on the basis of the results from previous studies. The results indicated that CaCl{sub 2} exhibited by far the best effects on the evolution of the hydration process in the mixtures; a positive effect onmore » mechanical strength was also observed when CaSO{sub 4} was used as the activator, while the gain in strength produced by KOH and NaOH was irrelevant. Geochemical modeling of the leaching solutions provided information on the mineral phases responsible for the release of major elements from the hardened materials and also indicated the important role played by surface sorption onto amorphous Fe and Al minerals in dictating the leaching of Pb. The leaching of the other trace metal cations investigated (Cu, Ni and Zn) could not be explained by any pure mineral included in the thermodynamic database used, suggesting they were present in the materials in the form of complex minerals or phase assemblages for which no consistent thermodynamic data are presently available in the literature.« less

Can theories of animal discrimination explain perceptual learning in humans?

PubMed

Mitchell, Chris; Hall, Geoffrey

2014-01-01

We present a review of recent studies of perceptual learning conducted with nonhuman animals. The focus of this research has been to elucidate the mechanisms by which mere exposure to a pair of similar stimuli can increase the ease with which those stimuli are discriminated. These studies establish an important role for 2 mechanisms, one involving inhibitory associations between the unique features of the stimuli, the other involving a long-term habituation process that enhances the relative salience of these features. We then examine recent work investigating equivalent perceptual learning procedures with human participants. Our aim is to determine the extent to which the phenomena exhibited by people are susceptible to explanation in terms of the mechanisms revealed by the animal studies. Although we find no evidence that associative inhibition contributes to the perceptual learning effect in humans, initial detection of unique features (those that allow discrimination between 2 similar stimuli) appears to depend on an habituation process. Once the unique features have been detected, a tendency to attend to those features and to learn about their properties enhances subsequent discrimination. We conclude that the effects obtained with humans engage mechanisms additional to those seen in animals but argue that, for the most part, these have their basis in learning processes that are common to animals and people. In a final section, we discuss some implications of this analysis of perceptual learning for other aspects of experimental psychology and consider some potential applications. (PsycINFO Database Record (c) 2013 APA, all rights reserved).

Mechanical properties and leaching modeling of activated incinerator bottom ash in Portland cement blends.

PubMed

Onori, Roberta; Polettini, Alessandra; Pomi, Raffaella

2011-02-01

In the present study the evolution of mechanical strength and the leaching behavior of major and trace elements from activated incinerator bottom ash/Portland cement mixtures were investigated. Chemical and mechanical activation were applied with the purpose of improving the reactivity of bottom ash in cement blends. Chemical activation made use of NaOH, KOH, CaCl(2) or CaSO(4), which were selected for the experimental campaign on the basis of the results from previous studies. The results indicated that CaCl(2) exhibited by far the best effects on the evolution of the hydration process in the mixtures; a positive effect on mechanical strength was also observed when CaSO(4) was used as the activator, while the gain in strength produced by KOH and NaOH was irrelevant. Geochemical modeling of the leaching solutions provided information on the mineral phases responsible for the release of major elements from the hardened materials and also indicated the important role played by surface sorption onto amorphous Fe and Al minerals in dictating the leaching of Pb. The leaching of the other trace metal cations investigated (Cu, Ni and Zn) could not be explained by any pure mineral included in the thermodynamic database used, suggesting they were present in the materials in the form of complex minerals or phase assemblages for which no consistent thermodynamic data are presently available in the literature. Copyright © 2010 Elsevier Ltd. All rights reserved.

Valence and Arousal Ratings for 420 Finnish Nouns by Age and Gender

PubMed Central

Söderholm, Carina; Häyry, Emilia; Laine, Matti; Karrasch, Mira

2013-01-01

Language-and culture-specific norms are needed for research on emotion-laden stimuli. We present valence and arousal ratings for 420 Finnish nouns for a sample of 996 Finnish speakers. Ratings are provided both for the whole sample and for subgroups divided by age and gender in light of previous research suggesting age- and gender-specific reactivity to the emotional content in stimuli. Moreover, corpus-based frequency values and word length are provided as objective psycholinguistic measures of the nouns. The relationship between valence and arousal mainly showed the curvilinear relationship reported in previous studies. Age and gender effects on valence and arousal ratings were statistically significant but weak. The inherent affective properties of the words in terms of mean valence and arousal ratings explained more of the variance in the ratings. In all, the findings suggest that language- and culture-related factors influence the way affective properties of words are rated to a greater degree than demographic factors. This database will provide researchers with normative data for Finnish emotion-laden and emotionally neutral words. The normative database is available in Database S1. PMID:24023650

Statewide Inventories of Heritage Resources: Macris and the Experience in Massachusetts

NASA Astrophysics Data System (ADS)

Stott, P. H.

2017-08-01

The Massachusetts Historical Commission (MHC) is the State Historic Preservation Office for Massachusetts. Established in 1963, MHC has been inventorying historic properties for over half a century. Since 1987, it has maintained a heritage database, the Massachusetts Cultural Resource Information System, or MACRIS. Today MACRIS holds over 206,000 records from the 351 towns and cities across the Commonwealth. Since 2004, a selection of the more than 150 MACRIS fields has been available online at mhcmacris. net. MACRIS is widely used by independent consultants preparing project review files, by MHC staff in its regulatory responsibilities, by local historical commissions monitoring threats to their communities, as well as by scholars, historical organizations, genealogists, property owners, reporters, and the general public interested in the history of the built environment. In 2016 MACRIS began migration off of its three-decade old Pick multivalue database to SQL Server, and in 2017, the first redesign of its thirteen-year old web interface should start to improve usability. Longer-term improvements have the goal of standardizing terminology and ultimately bringing interoperability with other heritage databases closer to reality.

The dye-sensitized solar cell database.

PubMed

Venkatraman, Vishwesh; Raju, Rajesh; Oikonomopoulos, Solon P; Alsberg, Bjørn K

2018-04-03

Dye-sensitized solar cells (DSSCs) have garnered a lot of attention in recent years. The solar energy to power conversion efficiency of a DSSC is influenced by various components of the cell such as the dye, electrolyte, electrodes and additives among others leading to varying experimental configurations. A large number of metal-based and metal-free dye sensitizers have now been reported and tools using such data to indicate new directions for design and development are on the rise. DSSCDB, the first of its kind dye-sensitized solar cell database, aims to provide users with up-to-date information from publications on the molecular structures of the dyes, experimental details and reported measurements (efficiencies and spectral properties) and thereby facilitate a comprehensive and critical evaluation of the data. Currently, the DSSCDB contains over 4000 experimental observations spanning multiple dye classes such as triphenylamines, carbazoles, coumarins, phenothiazines, ruthenium and porphyrins. The DSSCDB offers a web-based, comprehensive source of property data for dye sensitized solar cells. Access to the database is available through the following URL: www.dyedb.com .

FilTer BaSe: A web accessible chemical database for small compound libraries.

PubMed

Kolte, Baban S; Londhe, Sanjay R; Solanki, Bhushan R; Gacche, Rajesh N; Meshram, Rohan J

2018-03-01

Finding novel chemical agents for targeting disease associated drug targets often requires screening of large number of new chemical libraries. In silico methods are generally implemented at initial stages for virtual screening. Filtering of such compound libraries on physicochemical and substructure ground is done to ensure elimination of compounds with undesired chemical properties. Filtering procedure, is redundant, time consuming and requires efficient bioinformatics/computer manpower along with high end software involving huge capital investment that forms a major obstacle in drug discovery projects in academic setup. We present an open source resource, FilTer BaSe- a chemoinformatics platform (http://bioinfo.net.in/filterbase/) that host fully filtered, ready to use compound libraries with workable size. The resource also hosts a database that enables efficient searching the chemical space of around 348,000 compounds on the basis of physicochemical and substructure properties. Ready to use compound libraries and database presented here is expected to aid a helping hand for new drug developers and medicinal chemists. Copyright © 2017 Elsevier Inc. All rights reserved.

Version 2 of the Protuberance Correlations for the Shuttle-Orbiter Boundary Layer Transition Tool

NASA Technical Reports Server (NTRS)

King, Rudolph A.; Kegerise, Michael A.; Berry, Scott A.

2009-01-01

Orbiter-specific transition data, acquired in four ground-based facilities (LaRC 20-Inch Mach 6 Air Tunnel, LaRC 31-Inch Mach 10 Air Tunnel, LaRC 20-Inch Mach 6 CF4 Tunnel, and CUBRC LENS-I Shock Tunnel) with three wind tunnel model scales (0.75, 0.90, and 1.8%) and from Orbiter historical flight data, have been analyzed to improve a pre-existing engineering tool for reentry transition prediction on the windward side of the Orbiter. Boundary layer transition (BLT) engineering correlations for transition induced by isolated protuberances are presented using a laminar Navier-Stokes (N-S) database to provide the relevant boundary-layer properties. It is demonstrated that the earlier version of the BLT correlation that had been developed using parameters derived from an engineering boundary-layer code has improved data collapse when developed with the N-S database. Of the new correlations examined, the proposed correlation 5, based on boundary-layer edge and wall properties, was found to provide the best overall correlation metrics when the entire database is employed. The second independent correlation (proposed correlation 7) selected is based on properties within the boundary layer at the protuberance height. The Aeroheating Panel selected a process to derive the recommended coefficients for Version 2 of the BLT Tool. The assumptions and limitations of the recommended protuberance BLT Tool V.2 are presented.

Estimation of Solvation Quantities from Experimental Thermodynamic Data: Development of the Comprehensive CompSol Databank for Pure and Mixed Solutes

NASA Astrophysics Data System (ADS)

Moine, Edouard; Privat, Romain; Sirjean, Baptiste; Jaubert, Jean-Noël

2017-09-01

The Gibbs energy of solvation measures the affinity of a solute for its solvent and is thus a key property for the selection of an appropriate solvent for a chemical synthesis or a separation process. More fundamentally, Gibbs energies of solvation are choice data for developing and benchmarking molecular models predicting solvation effects. The Comprehensive Solvation—CompSol—database was developed with the ambition to propose very large sets of new experimental solvation chemical-potential, solvation entropy, and solvation enthalpy data of pure and mixed components, covering extended temperature ranges. For mixed compounds, the solvation quantities were generated in infinite-dilution conditions by combining experimental values of pure-component and binary-mixture thermodynamic properties. Three types of binary-mixture properties were considered: partition coefficients, activity coefficients at infinite dilution, and Henry's-law constants. A rigorous methodology was implemented with the aim to select data at appropriate conditions of temperature, pressure, and concentration for the estimation of solvation data. Finally, our comprehensive CompSol database contains 21 671 data associated with 1969 pure species and 70 062 data associated with 14 102 binary mixtures (including 760 solvation data related to the ionic-liquid class of solvents). On the basis of the very large amount of experimental data contained in the CompSol database, it is finally discussed how solvation energies are influenced by hydrogen-bonding association effects.

Spatiotemporal historical datasets at micro-level for geocoded individuals in five Swedish parishes, 1813–1914

PubMed Central

Hedefalk, Finn; Svensson, Patrick; Harrie, Lars

2017-01-01

This paper presents datasets that enable historical longitudinal studies of micro-level geographic factors in a rural setting. These types of datasets are new, as historical demography studies have generally failed to properly include the micro-level geographic factors. Our datasets describe the geography over five Swedish rural parishes, and by linking them to a longitudinal demographic database, we obtain a geocoded population (at the property unit level) for this area for the period 1813–1914. The population is a subset of the Scanian Economic Demographic Database (SEDD). The geographic information includes the following feature types: property units, wetlands, buildings, roads and railroads. The property units and wetlands are stored in object-lifeline time representations (information about creation, changes and ends of objects are recorded in time), whereas the other feature types are stored as snapshots in time. Thus, the datasets present one of the first opportunities to study historical spatio-temporal patterns at the micro-level. PMID:28398288

Intelligent community management system based on the devicenet fieldbus

NASA Astrophysics Data System (ADS)

Wang, Yulan; Wang, Jianxiong; Liu, Jiwen

2013-03-01

With the rapid development of the national economy and the improvement of people's living standards, people are making higher demands on the living environment. And the estate management content, management efficiency and service quality have been higher required. This paper in-depth analyzes about the intelligent community of the structure and composition. According to the users' requirements and related specifications, it achieves the district management systems, which includes Basic Information Management: the management level of housing, household information management, administrator-level management, password management, etc. Service Management: standard property costs, property charges collecting, the history of arrears and other property expenses. Security Management: household gas, water, electricity and security and other security management, security management district and other public places. Systems Management: backup database, restore database, log management. This article also carries out on the Intelligent Community System analysis, proposes an architecture which is based on B / S technology system. And it has achieved a global network device management with friendly, easy to use, unified human - machine interface.

A new natural hazards data-base for volcanic ash and SO2 from global satellite remote sensing measurements

NASA Astrophysics Data System (ADS)

Stebel, Kerstin; Prata, Fred; Theys, Nicolas; Tampellini, Lucia; Kamstra, Martijn; Zehner, Claus

2014-05-01

Over the last few years there has been a recognition of the utility of satellite measurements to identify and track volcanic emissions that present a natural hazard to human populations. Mitigation of the volcanic hazard to life and the environment requires understanding of the properties of volcanic emissions, identifying the hazard in near real-time and being able to provide timely and accurate forecasts to affected areas. Amongst the many ways to measure volcanic emissions, satellite remote sensing is capable of providing global quantitative retrievals of important microphysical parameters such as ash mass loading, ash particle effective radius, infrared optical depth, SO2 partial and total column abundance, plume altitude, aerosol optical depth and aerosol absorbing index. The eruption of Eyjafjallajökull in April May, 2010 led to increased research and measurement programs to better characterize properties of volcanic ash and the need to establish a data-base in which to store and access these data was confirmed. The European Space Agency (ESA) has recognized the importance of having a quality controlled data-base of satellite retrievals and has funded an activity called Volcanic Ash Strategic Initiative Team VAST (vast.nilu.no) to develop novel remote sensing retrieval schemes and a data-base, initially focused on several recent hazardous volcanic eruptions. In addition, the data-base will host satellite and validation data sets provided from the ESA projects Support to Aviation Control Service SACS (sacs.aeronomie.be) and Study on an end-to-end system for volcanic ash plume monitoring and prediction SMASH. Starting with data for the eruptions of Eyjafjallajökull, Grímsvötn, and Kasatochi, satellite retrievals for Puyhue-Cordon Caulle, Nabro, Merapi, Okmok, Kasatochi and Sarychev Peak will eventually be ingested. Dispersion model simulations are also being included in the data-base. Several atmospheric dispersion models (FLEXPART, SILAM and WRF-Chem) are used in VAST to simulate the dispersion of volcanic ash and SO2 emitted during an eruption. Source terms and dispersion model results will be given. In time, data from conventional in situ sampling instruments, airborne and ground-based remote sensing platforms and other meta-data (bulk ash and gas properties, volcanic setting, volcanic eruption chronologies, potential impacts etc.) will be added. Important applications of the data-base are illustrated related to the ash/aviation problem and to estimating SO2 fluxes from active volcanoes-as a means to diagnose future unrest. The data-base has the potential to provide the natural hazards community with a dynamic atmospheric volcanic hazards map and will be a valuable tool particularly for aviation.

Empirical relations of rock properties of outcrop and core samples from the Northwest German Basin for geothermal drilling

NASA Astrophysics Data System (ADS)

Reyer, D.; Philipp, S. L.

2014-09-01

Information about geomechanical and physical rock properties, particularly uniaxial compressive strength (UCS), are needed for geomechanical model development and updating with logging-while-drilling methods to minimise costs and risks of the drilling process. The following parameters with importance at different stages of geothermal exploitation and drilling are presented for typical sedimentary and volcanic rocks of the Northwest German Basin (NWGB): physical (P wave velocities, porosity, and bulk and grain density) and geomechanical parameters (UCS, static Young's modulus, destruction work and indirect tensile strength both perpendicular and parallel to bedding) for 35 rock samples from quarries and 14 core samples of sandstones and carbonate rocks. With regression analyses (linear- and non-linear) empirical relations are developed to predict UCS values from all other parameters. Analyses focus on sedimentary rocks and were repeated separately for clastic rock samples or carbonate rock samples as well as for outcrop samples or core samples. Empirical relations have high statistical significance for Young's modulus, tensile strength and destruction work; for physical properties, there is a wider scatter of data and prediction of UCS is less precise. For most relations, properties of core samples plot within the scatter of outcrop samples and lie within the 90% prediction bands of developed regression functions. The results indicate the applicability of empirical relations that are based on outcrop data on questions related to drilling operations when the database contains a sufficient number of samples with varying rock properties. The presented equations may help to predict UCS values for sedimentary rocks at depth, and thus develop suitable geomechanical models for the adaptation of the drilling strategy on rock mechanical conditions in the NWGB.

Investigation of wetting property between liquid lead lithium alloy and several structural materials for Chinese DEMO reactor

NASA Astrophysics Data System (ADS)

Lu, Wei; Wang, Weihua; Jiang, Haiyan; Zuo, Guizhong; Pan, Baoguo; Xu, Wei; Chu, Delin; Hu, Jiansheng; Qi, Junli

2017-10-01

The dual-cooled lead lithium (PbLi) blanket is considered as one of the main options for the Chinese demonstration reactor (DEMO). Liquid PbLi alloy is used as the breeder material and coolant. Reduced activation ferritic/martensitic (RAFM) steel, stainless steel and the silicon carbide ceramic matrix composite (SiCf) are selected as the substrate materials for different use. To investigate the wetting property and inter-facial interactions of PbLi/RAFM steel, PbLi/SS316L, PbLi/SiC and PbLi/SiCf couples, in this paper, the special vacuum experimental device is built, and the 'dispensed droplet' modification for the classic sessile droplet technique is made. Contact angles are measured between the liquid PbLi and the various candidate materials at blanket working temperature from 260 to 480 °C. X-ray photoelectron spectroscopy (XPS) is used to characterize the surface components of PbLi droplets and substrate materials, in order to study the element trans-port and corrosion mechanism. Results show that SiC composite (SiCf) and SiC ceramic show poor wetting properties with the liquid PbLi alloy. Surface roughness and testing temperature only provide tiny improvements on the wetting property below 480 °C. RAFM steel performs better wetting properties and corrosion residence when contacted with molten PbLi, while SS316L shows low corrosion residence above 420 °C for the decomposition of protective surface film mainly consisted of chromic sesquioxide. The results could provide meaningful compatibility database of liquid PbLi alloy and valuable reference in engineering design of candidate structural and functional materials for future fusion blanket.

Molecular Engineering for Mechanically Resilient and Stretchable Electronic Polymers and Composites

DTIC Science & Technology

2016-06-08

conjugated polymers and composites by analysis of the structural determinants of the mechanical properties. We developed coarse-grained molecular...dynamics simulations that predicted the mechanical properties of conjugated polymers and polymer -fullerene composites. We elucidated the mechanical...We also determined the effect of cyclic stretching on the microstructure and mechanical properties of conjugated polymers . We used many of

Chronic alcohol abuse in men alters bone mechanical properties by affecting both tissue mechanical properties and microarchitectural parameters.

PubMed

Cruel, M; Granke, M; Bosser, C; Audran, M; Hoc, T

2017-06-01

Alcohol-induced secondary osteoporosis in men has been characterized by higher fracture prevalence and a modification of bone microarchitecture. Chronic alcohol consumption impairs bone cell activity and results in an increased fragility. A few studies highlighted effects of heavy alcohol consumption on some microarchitectural parameters of trabecular bone. But to date and to our knowledge, micro- and macro-mechanical properties of bone of alcoholic subjects have not been investigated. In the present study, mechanical properties and microarchitecture of trabecular bone samples from the iliac crest of alcoholic male patients (n=15) were analyzed and compared to a control group (n=8). Nanoindentation tests were performed to determine the tissue's micromechanical properties, micro-computed tomography was used to measure microarchitectural parameters, and numerical simulations provided the apparent mechanical properties of the samples. Compared to controls, bone tissue from alcoholic patients exhibited an increase of micromechanical properties at tissue scale, a significant decrease of apparent mechanical properties at sample scale, and significant changes in several microarchitectural parameters. In particular, a crucial role of structure model index (SMI) on mechanical properties was identified. 3D microarchitectural parameters are at least as important as bone volume fraction to predict bone fracture risk in the case of alcoholic patients. Copyright © 2017 Elsevier Masson SAS. All rights reserved.

Feasibility of Creating a Comprehensive Real Property Database for Colombia

DTIC Science & Technology

2002-08-01

practices familiar to conservationists can be effective in areas where private property dominates or where it is mixed with public lands. These practices...broadly accurate. According to many familiar with the system of appraisals and the market for real property, an appraisal of around fifty percent of...Geografía de la Violencia ) 27 Regional and Local GIS data The feasibility study considered local GIS efforts in Bogotá, Cali, Medellín, Popayán and

In Vitro Tissue Differentiation using Dynamics of Tissue Mechanical Properties

NASA Astrophysics Data System (ADS)

Lin, Wei-Chiang; Phillips, Paul J.

2002-03-01

Dynamics of tissue mechanical properties of various human tissue types were studied at macroscopic as well as microscopic level in vitro. This study was conducted to enable the development of a feedback system based on dynamics of tissue mechanical properties for intraoperative guidance for tumor treatment (e.g., RF ablation of liver tumor) and noninvasive tumor localization. Human liver tissues, including normal, cancerous, and cirrhotic tissues, were obtained from patients receiving liver transplant or tumor resection at Vanderbilt University Medical Center with the approval of the Vanderbilt Institutional Review Board. Tissue samples, once resected from the patients, were snap-frozen using liquid nitrogen and stored at -70 oC. Measurements of the mechanical properties of these tissue samples were conducted at the University of Tennessee at Knoxville. Dynamics of tissue mechanical properties were measured from both native and thermally coagulated tissue samples at macroscopic and microscopic level. Preliminary results suggest the dynamics of mechanical properties of normal liver tissues are very different from those of cancerous liver tissues. The correlation between the dynamics of mechanical properties at macroscopic level and those at microscopic level is currently under investigation.

Collisional excitation of molecules in dense interstellar clouds

NASA Technical Reports Server (NTRS)

Green, S.

1985-01-01

State transitions which permit the identification of the molecular species in dense interstellar clouds are reviewed, along with the techniques used to calculate the transition energies, the database on known molecular transitions and the accuracy of the values. The transition energies cannot be measured directly and therefore must be modeled analytically. Scattering theory is used to determine the intermolecular forces on the basis of quantum mechanics. The nuclear motions can also be modeled with classical mechanics. Sample rate constants are provided for molecular systems known to inhabit dense interstellar clouds. The values serve as a database for interpreting microwave and RF astrophysical data on the transitions undergone by interstellar molecules.

Hierarchical Structure Controls Nanomechanical Properties of Vimentin Intermediate Filaments

PubMed Central

Qin, Zhao; Kreplak, Laurent; Buehler, Markus J.

2009-01-01

Intermediate filaments (IFs), in addition to microtubules and microfilaments, are one of the three major components of the cytoskeleton in eukaryotic cells, playing a vital role in mechanotransduction and in providing mechanical stability to cells. Despite the importance of IF mechanics for cell biology and cell mechanics, the structural basis for their mechanical properties remains unknown. Specifically, our understanding of fundamental filament properties, such as the basis for their great extensibility, stiffening properties, and their exceptional mechanical resilience remains limited. This has prevented us from answering fundamental structure-function relationship questions related to the biomechanical role of intermediate filaments, which is crucial to link structure and function in the protein material's biological context. Here we utilize an atomistic-level model of the human vimentin dimer and tetramer to study their response to mechanical tensile stress, and describe a detailed analysis of the mechanical properties and associated deformation mechanisms. We observe a transition from alpha-helices to beta-sheets with subsequent interdimer sliding under mechanical deformation, which has been inferred previously from experimental results. By upscaling our results we report, for the first time, a quantitative comparison to experimental results of IF nanomechanics, showing good agreement. Through the identification of links between structures and deformation mechanisms at distinct hierarchical levels, we show that the multi-scale structure of IFs is crucial for their characteristic mechanical properties, in particular their ability to undergo severe deformation of ≈300% strain without breaking, facilitated by a cascaded activation of a distinct deformation mechanisms operating at different levels. This process enables IFs to combine disparate properties such as mechanosensitivity, strength and deformability. Our results enable a new paradigm in studying biological and mechanical properties of IFs from an atomistic perspective, and lay the foundation to understanding how properties of individual protein molecules can have profound effects at larger length-scales. PMID:19806221

Hierarchical structure controls nanomechanical properties of vimentin intermediate filaments.

PubMed

Qin, Zhao; Kreplak, Laurent; Buehler, Markus J

2009-10-06

Intermediate filaments (IFs), in addition to microtubules and microfilaments, are one of the three major components of the cytoskeleton in eukaryotic cells, playing a vital role in mechanotransduction and in providing mechanical stability to cells. Despite the importance of IF mechanics for cell biology and cell mechanics, the structural basis for their mechanical properties remains unknown. Specifically, our understanding of fundamental filament properties, such as the basis for their great extensibility, stiffening properties, and their exceptional mechanical resilience remains limited. This has prevented us from answering fundamental structure-function relationship questions related to the biomechanical role of intermediate filaments, which is crucial to link structure and function in the protein material's biological context. Here we utilize an atomistic-level model of the human vimentin dimer and tetramer to study their response to mechanical tensile stress, and describe a detailed analysis of the mechanical properties and associated deformation mechanisms. We observe a transition from alpha-helices to beta-sheets with subsequent interdimer sliding under mechanical deformation, which has been inferred previously from experimental results. By upscaling our results we report, for the first time, a quantitative comparison to experimental results of IF nanomechanics, showing good agreement. Through the identification of links between structures and deformation mechanisms at distinct hierarchical levels, we show that the multi-scale structure of IFs is crucial for their characteristic mechanical properties, in particular their ability to undergo severe deformation of approximately 300% strain without breaking, facilitated by a cascaded activation of a distinct deformation mechanisms operating at different levels. This process enables IFs to combine disparate properties such as mechanosensitivity, strength and deformability. Our results enable a new paradigm in studying biological and mechanical properties of IFs from an atomistic perspective, and lay the foundation to understanding how properties of individual protein molecules can have profound effects at larger length-scales.

Database for Safety-Oriented Tracking of Chemicals

NASA Technical Reports Server (NTRS)

Stump, Jacob; Carr, Sandra; Plumlee, Debrah; Slater, Andy; Samson, Thomas M.; Holowaty, Toby L.; Skeete, Darren; Haenz, Mary Alice; Hershman, Scot; Raviprakash, Pushpa

2010-01-01

SafetyChem is a computer program that maintains a relational database for tracking chemicals and associated hazards at Johnson Space Center (JSC) by use of a Web-based graphical user interface. The SafetyChem database is accessible to authorized users via a JSC intranet. All new chemicals pass through a safety office, where information on hazards, required personal protective equipment (PPE), fire-protection warnings, and target organ effects (TOEs) is extracted from material safety data sheets (MSDSs) and recorded in the database. The database facilitates real-time management of inventory with attention to such issues as stability, shelf life, reduction of waste through transfer of unused chemicals to laboratories that need them, quantification of chemical wastes, and identification of chemicals for which disposal is required. Upon searching the database for a chemical, the user receives information on physical properties of the chemical, hazard warnings, required PPE, a link to the MSDS, and references to the applicable International Standards Organization (ISO) 9000 standard work instructions and the applicable job hazard analysis. Also, to reduce the labor hours needed to comply with reporting requirements of the Occupational Safety and Health Administration, the data can be directly exported into the JSC hazardous- materials database.

Optimization of mechanical properties, biocorrosion properties and antibacterial properties of wrought Ti-3Cu alloy by heat treatment.

PubMed

Bao, Mianmian; Liu, Ying; Wang, Xiaoyan; Yang, Lei; Li, Shengyi; Ren, Jing; Qin, Gaowu; Zhang, Erlin

2018-03-01

Previous study has shown that Ti-3Cu alloy shows good antibacterial properties (>90% antibacterial rate), but the mechanical properties still need to be improved. In this paper, a series of heat-treatment processes were selected to adjust the microstructure in order to optimize the properties of Ti-3Cu alloy. Microstructure, mechanical properties, biocorrosion properties and antibacterial properties of wrought Ti-3Cu alloy at different conditions was systematically investigated by X-ray diffraction, optical microscope, scanning electron microscope, transmission electron microscopy, electrochemical measurements, tensile test, fatigue test and antibacterial test. Heat treatment could significantly improve the mechanical properties, corrosion resistance and antibacterial rate due to the redistribution of copper elements and precipitation of Ti 2 Cu phase. Solid solution treatment increased the yield strength from 400 to 740 MPa and improved the antibacterial rate from 33% to 65.2% while aging treatment enhanced the yield strength to 800-850 MPa and antibacterial rate (>91.32%). It was demonstrated that homogeneous distribution and fine Ti 2 Cu phase plays a very important role in mechanical properties, corrosion resistance and antibacterial properties.