The Four Sources of Influence on Computer Self-Efficacy.

Science.gov (United States)

Smith, Sheila M.

2001-01-01

Using Bandura's four sources of influence on self-efficacy, 210 students rated their computer self-efficacy. Mastery experiences were most influential for white males; vicarious learning had the most influence for females and nonwhite students. (Contains 29 references.) (SK)

Nitrogen mineralization in a simulated rhizosphere as influenced by low molecular weight organic substances

OpenAIRE

Begum, Shamim Ara; Kader, MD Abdul; Sleutel, Steven; De Neve, Stefaan

2012-01-01

Rhizodeposits consist of over 200 organic compounds, mainly low-molecular-weight organic substances (LMWOS) such as amino acids (AA), carbohydrates (CH) and carboxylic acids (CA), lipids and phenols. Those LMWOS influence nutrient turnover, particularly N turnover. However, the exact influence of these organic substances on nitrogen mineralization is yet unknown. Therefore, the stimulatory effects of low molecular weight organic substances on nitrogen mineralization in the rhizosphere of a si...

Influence of Organic and Inorganic Sources of Fertilizer on Growth ...

African Journals Online (AJOL)

Influence of Organic and Inorganic Sources of Fertilizer on Growth and Leaf Yield of Kale ... Journal of Agriculture, Science and Technology ... fertilizer gave leaf yields comparable to those applied with exclusively inorganic sources of fertilizer.

Bio-functions and molecular carbohydrate structure association study in forage with different source origins revealed using non-destructive vibrational molecular spectroscopy techniques.

Science.gov (United States)

Ji, Cuiying; Zhang, Xuewei; Yan, Xiaogang; Mostafizar Rahman, M; Prates, Luciana L; Yu, Peiqiang

2017-08-05

The objectives of this study were to: 1) investigate forage carbohydrate molecular structure profiles; 2) bio-functions in terms of CHO rumen degradation characteristics and hourly effective degradation ratio of N to OM (HED N/OM ), and 3) quantify interactive association between molecular structures, bio-functions and nutrient availability. The vibrational molecular spectroscopy was applied to investigate the structure feature on a molecular basis. Two sourced-origin alfalfa forages were used as modeled forages. The results showed that the carbohydrate molecular structure profiles were highly linked to the bio-functions in terms of rumen degradation characteristics and hourly effective degradation ratio. The molecular spectroscopic technique can be used to detect forage carbohydrate structure features on a molecular basis and can be used to study interactive association between forage molecular structure and bio-functions. Copyright © 2017 Elsevier B.V. All rights reserved.

Optical line shape of molecular rings: Influence of correlated nondiagonal disorder

International Nuclear Information System (INIS)

Barvik, I.; Warns, Ch.; Reineker, P.

2006-01-01

We investigate the optical properties of molecular rings which are generally influenced by many kinds of static disorder. Recently, Papiz suggested that quasistatic disorder, anticorrelated between neighboring transfer integrals, plays an important role. We simulate such a disorder by slow colored dichotomic Markov processes with long-time constants for the decay of their correlation functions. The colored dichotomic Markov processes leading to transfer integral fluctuations can be uncorrelated, anticorrelated or partially correlated between nearest neighboring transfer integrals in the ring. The optical line shape of the molecular ring is modeled and investigated in dependence on the parameters of the stochastic processes. Conclusions as regards the influence of the correlation on the splitting of the optical line shape, the shift of the optical absorption maximum and the width of the optical line are drawn

Model-based evaluation of the use of polycyclic aromatic hydrocarbons molecular diagnostic ratios as a source identification tool

International Nuclear Information System (INIS)

Katsoyiannis, Athanasios; Breivik, Knut

2014-01-01

Polycyclic Aromatic Hydrocarbons (PAHs) molecular diagnostic ratios (MDRs) are unitless concentration ratios of pair-PAHs with the same molecular weight (MW); MDRs have long been used as a tool for PAHs source identification purposes. In the present paper, the efficiency of the MDR methodology is evaluated through the use of a multimedia fate model, the calculation of characteristic travel distances (CTD) and the estimation of air concentrations for individual PAHs as a function of distance from an initial point source. The results show that PAHs with the same MW are sometimes characterized by substantially different CTDs and therefore their air concentrations and hence MDRs are predicted to change as the distance from the original source increases. From the assessed pair-PAHs, the biggest CTD difference is seen for Fluoranthene (107 km) vs. Pyrene (26 km). This study provides a strong indication that MDRs are of limited use as a source identification tool. -- Highlights: • Model-based evaluation of the PAHs molecular diagnostic ratios efficiency. • Individual PAHs are characterized by different characteristic travel distances. • MDRs are proven to be a limited tool for source identification. • Use of MDRs for other environmental media is likely unfeasible. -- PAHs molecular diagnostic ratios which change greatly as a function of distance from the emitting source are improper for source identification purposes

Segmental distribution of some common molecular markers for colorectal cancer (CRC): influencing factors and potential implications.

Science.gov (United States)

Papagiorgis, Petros Christakis

2016-05-01

Proximal and distal colorectal cancers (CRCs) are regarded as distinct disease entities, evolving through different genetic pathways and showing multiple clinicopathological and molecular differences. Segmental distribution of some common markers (e.g., KRAS, EGFR, Ki-67, Bcl-2, COX-2) is clinically important, potentially affecting their prognostic or predictive value. However, this distribution is influenced by a variety of factors such as the anatomical overlap of tumorigenic molecular events, associations of some markers with other clinicopathological features (stage and/or grade), and wide methodological variability in markers' assessment. All these factors represent principal influences followed by intratumoral heterogeneity and geographic variation in the frequency of detection of particular markers, whereas the role of other potential influences (e.g., pre-adjuvant treatment, interaction between markers) remains rather unclear. Better understanding and elucidation of the various influences may provide a more accurate picture of the segmental distribution of molecular markers in CRC, potentially allowing the application of a novel patient stratification for treatment, based on particular molecular profiles in combination with tumor location.

Sources of drug information and their influence on the prescribing ...

African Journals Online (AJOL)

Sources of drug information and their influence on the prescribing behaviour of doctors in a teaching hospital in Ibadan, Nigeria. ... Drug information was sourced from colleagues (161, 98.8%), reference books (158, 96.9%), pharmaceutical sales representatives-PSRs (152, 93.2%), promotion materials (151, 92.6%), ...

Atomic and molecular spectroscopy with optical-frequency-comb-referenced IR coherent sources

International Nuclear Information System (INIS)

Cancio, P.; Bartalini, S.; De Rosa, M.; Giusfredi, G.; Mazzotti, D.; Maddaloni, P.; Vitiello, M. S.; De Natale, P.

2013-01-01

We provide a review of progress in the development of metrological-grade measurements in atomic and molecular systems through the extension, in the mid-infrared and far-infrared range, of optical frequency combs (OFCs) and the introduction of new techniques and highly coherent sources. (authors)

Integrating open-source software applications to build molecular dynamics systems.

Science.gov (United States)

Allen, Bruce M; Predecki, Paul K; Kumosa, Maciej

2014-04-05

Three open-source applications, NanoEngineer-1, packmol, and mis2lmp are integrated using an open-source file format to quickly create molecular dynamics (MD) cells for simulation. The three software applications collectively make up the open-source software (OSS) suite known as MD Studio (MDS). The software is validated through software engineering practices and is verified through simulation of the diglycidyl ether of bisphenol-a and isophorone diamine (DGEBA/IPD) system. Multiple simulations are run using the MDS software to create MD cells, and the data generated are used to calculate density, bulk modulus, and glass transition temperature of the DGEBA/IPD system. Simulation results compare well with published experimental and numerical results. The MDS software prototype confirms that OSS applications can be analyzed against real-world research requirements and integrated to create a new capability. Copyright © 2014 Wiley Periodicals, Inc.

The Atomic, Molecular and Optical Science instrument at the Linac Coherent Light Source

Energy Technology Data Exchange (ETDEWEB)

Ferguson, Ken R. [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Department of Applied Physics, Stanford University, 348 Via Pueblo, Stanford, CA 94305 (United States); Bucher, Maximilian; Bozek, John D.; Carron, Sebastian; Castagna, Jean-Charles [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Coffee, Ryan [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Pulse Institute, Stanford University and SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Curiel, G. Ivan; Holmes, Michael; Krzywinski, Jacek; Messerschmidt, Marc; Minitti, Michael; Mitra, Ankush; Moeller, Stefan; Noonan, Peter; Osipov, Timur; Schorb, Sebastian; Swiggers, Michele; Wallace, Alexander; Yin, Jing [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Bostedt, Christoph, E-mail: bostedt@slac.stanford.edu [Linac Coherent Light Source, SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States); Pulse Institute, Stanford University and SLAC National Accelerator Laboratory, 2575 Sand Hill Road, Menlo Park, CA 94025 (United States)

2015-04-17

A description of the Atomic, Molecular and Optical Sciences (AMO) instrument at the Linac Coherent Light Source is presented. Recent scientific highlights illustrate the imaging, time-resolved spectroscopy and high-power density capabilities of the AMO instrument. The Atomic, Molecular and Optical Science (AMO) instrument at the Linac Coherent Light Source (LCLS) provides a tight soft X-ray focus into one of three experimental endstations. The flexible instrument design is optimized for studying a wide variety of phenomena requiring peak intensity. There is a suite of spectrometers and two photon area detectors available. An optional mirror-based split-and-delay unit can be used for X-ray pump–probe experiments. Recent scientific highlights illustrate the imaging, time-resolved spectroscopy and high-power density capabilities of the AMO instrument.

Source-specific sewage pollution detection in urban river waters using pharmaceuticals and personal care products as molecular indicators.

Science.gov (United States)

Kiguchi, Osamu; Sato, Go; Kobayashi, Takashi

2016-11-01

Source-specific elucidation of domestic sewage pollution caused by various effluent sources in an urban river water, as conducted for this study, demands knowledge of the relation between concentrations of pharmaceuticals and personal care products (PPCPs) as molecular indicators (caffeine, carbamazepine, triclosan) and water quality concentrations of total nitrogen (T-N) and total phosphorous (T-P). River water and wastewater samples from the Asahikawa River Basin in northern Japan were analyzed using derivatization-gas chromatography/mass spectrometry. Caffeine, used as an indicator of domestic sewage in the Asahikawa River Basin, was more ubiquitous than either carbamazepine or triclosan (92-100 %). Its concentration was higher than any target compound used to assess the basin: caffeine, caffeine concentrations detected in wastewater effluents and the strongly positive mutual linear correlation between caffeine and T-N or T-P (R 2  > 0.759) reflect the contribution of septic tank system effluents to the lower Asahikawa River Basin. Results of relative molecular indicators in combination with different molecular indicators (caffeine/carbamazepine and triclosan/carbamazepine) and cluster analysis better reflect the contribution of sewage than results obtained using concentrations of respective molecular indicators and cluster analysis. Relative molecular indicators used with water quality parameters (e.g., caffeine/T-N ratio) in this study provide results more clearly, relatively, and quantitatively than results obtained using molecular indicators alone. Moreover, the caffeine/T-N ratio reflects variations of caffeine flux from effluent sources. These results suggest strongly relative molecular indicators are also useful indicators, reflecting differences in spatial contributions of domestic sources for PPCPs in urban areas.

Practical Application of Aptamer-Based Biosensors in Detection of Low Molecular Weight Pollutants in Water Sources

Directory of Open Access Journals (Sweden)

Wei Zhang

2018-02-01

Full Text Available Water pollution has become one of the leading causes of human health problems. Low molecular weight pollutants, even at trace concentrations in water sources, have aroused global attention due to their toxicity after long-time exposure. There is an increased demand for appropriate methods to detect these pollutants in aquatic systems. Aptamers, single-stranded DNA or RNA, have high affinity and specificity to each of their target molecule, similar to antigen-antibody interaction. Aptamers can be selected using a method called Systematic Evolution of Ligands by EXponential enrichment (SELEX. Recent years we have witnessed great progress in developing aptamer selection and aptamer-based sensors for low molecular weight pollutants in water sources, such as tap water, seawater, lake water, river water, as well as wastewater and its effluents. This review provides an overview of aptamer-based methods as a novel approach for detecting low molecular weight pollutants in water sources.

Characterizing and sourcing ambient PM2.5 over key emission regions in China II: Organic molecular markers and CMB modeling

Science.gov (United States)

Zhou, Jiabin; Xiong, Ying; Xing, Zhenyu; Deng, Junjun; Du, Ke

2017-08-01

From November 2012 to July 2013, a sampling campaign was completed for comprehensive characterization of PM2.5 over four key emission regions in China: Beijing-Tianjin-Hebei (BTH), Yangzi River Delta (YRD), Pearl River Delta (PRD), and Sichuan Basin (SB). A multi-method approach, adopting different analytical and receptor modeling methods, was employed to determine the relative abundances of region-specific air pollution constituents and contributions of emission sources. This paper is focused on organic molecular marker based source apportionment using chemical mass balance (CMB) receptor modeling. Analyses of the organic molecular markers revealed that vehicle emission, coal combustion, biomass burning, meat cooking and natural gas combustion were the major contributors to organic carbon (OC) in PM2.5. The vehicle emission dominated the sources contributing to OC in spring at four sampling sites. During wintertime, the coal combustion had highest contribution to OC at BTH site, while the major source contributing to OC at YRD and PRD sites was vehicle emission. In addition, the relative contributions of different emission sources to PM2.5 mass at a specific location site and in a specific season revealed seasonal and spatial variations across all four sampling locations. The largest contributor to PM2.5 mass was secondary sulfate (14-17%) in winter at the four sites. The vehicle emission was found to be the major source (14-21%) for PM2.5 mass at PRD site. The secondary ammonium has minor variation (4-5%) across the sites, confirming the influences of regional emission sources on these sites. The distinct patterns of seasonal and spatial variations of source apportionment observed in this study were consistent with the findings in our previous paper based upon water-soluble ions and carbonaceous fractions. This makes it essential for the local government to make season- and region-specific mitigation strategies for abating PM2.5 pollution in China.

Influence of Molecular Shape on Molecular Orientation and Stability of Vapor-Deposited Organic Semiconductors

Science.gov (United States)

Walters, Diane M.; Johnson, Noah D.; Ediger, M. D.

Physical vapor deposition is commonly used to prepare active layers in organic electronics. Recently, it has been shown that molecular orientation and packing can be tuned by changing the substrate temperature during deposition, while still producing macroscopically homogeneous films. These amorphous materials can be highly anisotropic when prepared with low substrate temperatures, and they can exhibit exceptional kinetic stability; films retain their favorable packing when heated to high temperatures. Here, we study the influence of molecular shape on molecular orientation and stability. We investigate disc-shaped molecules, such as TCTA and m-MTDATA, nearly spherical molecules, such as Alq3, and linear molecules covering a broad range of aspect ratios, such as p-TTP and BSB-Cz. Disc-shaped molecules have preferential horizontal orientation when deposited at low substrate temperatures, and their orientation can be tuned by changing the substrate temperature. Alq3 forms stable, amorphous films that are optically isotropic when vapor deposited over a broad range of substrate temperatures. This work may guide the choice of material and deposition conditions for vapor-deposited films used in organic electronics and allow for more efficient devices to be fabricated.

Molecular dynamics simulation of chemical vapor deposition of amorphous carbon. Dependence on H/C ratio of source gas

International Nuclear Information System (INIS)

Ito, Atsushi M.; Takayama, Arimichi; Nakamura, Hiroaki; Saito, Seiki; Ohno, Noriyasu; Kajita, Shin

2011-01-01

By molecular dynamics simulation, the chemical vapor deposition of amorphous carbon onto graphite and diamond surfaces was studied. In particular, we investigated the effect of source H/C ratio, which is the ratio of the number of hydrogen atoms to the number of carbon atoms in a source gas, on the deposition process. In the present simulation, the following two source gas conditions were tested: one was that the source gas was injected as isolated carbon and hydrogen atoms, and the other was that the source gas was injected as hydrocarbon molecules. Under the former condition, we found that as the source H/C ratio increases, the deposition rate of carbon atoms decreases exponentially. This exponential decrease in the deposition rate with increasing source H/C ratio agrees with experimental data. However, under the latter molecular source condition, the deposition rate did not decrease exponentially because of a chemical reaction peculiar to the type of hydrocarbon in the source gas. (author)

Atmospheric-pressure solution-cathode glow discharge: A versatile ion source for atomic and molecular mass spectrometry

Energy Technology Data Exchange (ETDEWEB)

Schwartz, Andrew J. [Department of Chemistry, Indiana University, Bloomington, IN, 47405 (United States); Williams, Kelsey L. [Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 (United States); Hieftje, Gary M. [Department of Chemistry, Indiana University, Bloomington, IN, 47405 (United States); Shelley, Jacob T., E-mail: shellj@rpi.edu [Department of Chemistry and Biochemistry, Kent State University, Kent, OH, 44242 (United States); Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY, 12180 (United States)

2017-01-15

An atmospheric-pressure solution-cathode glow discharge (SCGD) has been evaluated as an ion source for atomic, molecular, and ambient desorption/ionization mass spectrometry. The SCGD consists of a direct-current plasma, supported in the ambient air in the absence of gas flows, and sustained upon the surface of a flowing liquid cathode. Analytes introduced in the flowing liquid, as an ambient gas, or as a solid held near the plasma are vaporized and ionized by interactions within or near the discharge. Introduction of acidic solutions containing metal salts produced bare elemental ions as well as H{sub 2}O, OH{sup −} and NO{sub 3}{sup −} adducts. Detection limits for these elemental species ranged from 0.1 to 4 ppb, working curves spanned more than 4 orders of linear dynamic range, and precision varied between 5 and 16% relative standard deviation. Small organic molecules were also efficiently ionized from solution, and both the intact molecular ion and fragments were observed in the resulting SCGD mass spectra. Fragmentation of molecular species was found to be tunable; high discharge currents led to harder ionization, while low discharge currents produced stronger molecular-ion signals. Ambient gases and solids, desorbed by the plasma from a glass probe, were also readily ionized by the SCGD. Indeed, strong analyte signals were obtained from solid samples placed at least 2 cm from the plasma. These findings indicate that the SCGD might be useful also for ambient desorption/ionization mass spectrometry. Combined with earlier results that showed the SCGD is useful for ionization of labile biomolecules, the results here indicate that the SCGD is a highly versatile ion source capable of providing both elemental and molecular mass-spectral information. - Highlights: • Solution-cathode glow discharge used as an ionization source for mass spectrometry. • SCGD-MS can provide atomic as well as intact molecular mass spectra. • Atomic limits of detection range

Molecular Diagnostics of the Interstellar Medium and Star Forming Regions

Science.gov (United States)

Hartquist, T. W.; Dalgarno, A.

1996-03-01

Selected examples of the use of observationally inferred molecular level populations and chemical compositions in the diagnosis of interstellar sources and processes important in them (and in other diffuse astrophysical sources) are given. The sources considered include the interclump medium of a giant molecular cloud, dark cores which are the progenitors of star formation, material responding to recent star formation and which may form further stars, and stellar ejecta (including those of supernovae) about to merge with the interstellar medium. The measurement of the microwave background, mixing of material between different nuclear burning zones in evolved stars and turbulent boundary layers (which are present in and influence the structures and evolution of all diffuse astrophysical sources) are treated.

Detailed Source-Specific Molecular Composition of Ambient Aerosol Organic Matter Using Ultrahigh Resolution Mass Spectrometry and 1H NMR

Directory of Open Access Journals (Sweden)

Amanda S. Willoughby

2016-06-01

Full Text Available Organic aerosols (OA are universally regarded as an important component of the atmosphere that have far-ranging impacts on climate forcing and human health. Many of these impacts are related to OA molecular characteristics. Despite the acknowledged importance, current uncertainties related to the source apportionment of molecular properties and environmental impacts make it difficult to confidently predict the net impacts of OA. Here we evaluate the specific molecular compounds as well as bulk structural properties of total suspended particulates in ambient OA collected from key emission sources (marine, biomass burning, and urban using ultrahigh resolution mass spectrometry (UHR-MS and proton nuclear magnetic resonance spectroscopy (1H NMR. UHR-MS and 1H NMR show that OA within each source is structurally diverse, and the molecular characteristics are described in detail. Principal component analysis (PCA revealed that (1 aromatic nitrogen species are distinguishing components for these biomass burning aerosols; (2 these urban aerosols are distinguished by having formulas with high O/C ratios and lesser aromatic and condensed aromatic formulas; and (3 these marine aerosols are distinguished by lipid-like compounds of likely marine biological origin. This study provides a unique qualitative approach for enhancing the chemical characterization of OA necessary for molecular source apportionment.

Near-infrared sources in the molecular cloud G35.2-0.74

International Nuclear Information System (INIS)

Tapia, M.; Roth, M.; Persi, P.; Ferrari-Toniolo, M.

1985-01-01

Near-infrared (1-4 μm) observations of the molecular cloud G35.2-0.74 reveal the presence of four infrared sources in the vicinity of two previously reported centres of recent star formation. The northern part of G35.2-0.74 contains three point sources which are interpreted as highly obscured stars. Irs 1 coincides with H 2 O and OH maser sources and seems to be a very young early-type star. The southern part of G35.2-0.74 shows a diffuse 2.2-μm source with a flux distribution in the short-wavelength region compatible with free-free emission and a large excess at lambda > or approx. 3 μm attributed to warm dust mixed with the gas. These data are consistent with a fully developed HII region. (author)

Dietary carbohydrate source influences molecular fingerprints of the rat faecal microbiota

DEFF Research Database (Denmark)

Licht, Tine Rask; Hansen, Max; Poulsen, Morten

2006-01-01

Background: A study was designed to elucidate effects of selected carbohydrates on composition and activity of the intestinal microbiota. Five groups of eight rats were fed a western type diet containing cornstarch (reference group), sucrose, potato starch, inulin (a long-chained fructan) or olig......Background: A study was designed to elucidate effects of selected carbohydrates on composition and activity of the intestinal microbiota. Five groups of eight rats were fed a western type diet containing cornstarch (reference group), sucrose, potato starch, inulin (a long-chained fructan...... of coliform bacteria in faeces. In the inulin and oligofructose groups, higher levels of butyrate and propionate, respectively, were measured. Principal Component Analysis of profiles of the faecal microbiota obtained by Denaturing Gradient Gel Electrophoresis (DGGE) of PCR amplified bacterial 16S rRNA genes...... and are not expected to reach the large intestine, the DGGE band patterns obtained indicated that these carbohydrates indeed affected the composition of bacteria in the large gut. Also the two fructans resulted in completely different molecular fingerprints of the faecal microbiota, indicating that even though...

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets.

Science.gov (United States)

Dalke, Andrew; Hert, Jérôme; Kramer, Christian

2018-05-29

Matched molecular pair analysis (MMPA) enables the automated and systematic compilation of medicinal chemistry rules from compound/property data sets. Here we present mmpdb, an open-source matched molecular pair (MMP) platform to create, compile, store, retrieve, and use MMP rules. mmpdb is suitable for the large data sets typically found in pharmaceutical and agrochemical companies and provides new algorithms for fragment canonicalization and stereochemistry handling. The platform is written in Python and based on the RDKit toolkit. It is freely available from https://github.com/rdkit/mmpdb .

The Influence of Peer Reviews on Source Credibility and Purchase Intention

Directory of Open Access Journals (Sweden)

Kristine L. Nowak

2014-12-01

Full Text Available Electronic Word of Mouth (eWOM is information shared on the Internet about a product, which allows people to receive information from others they may not otherwise encounter. Online product reviews are a type of eWOM where a user posts a comment about a product and selects an image to represent the self. The perception of the image and the text in the product review can influence source credibility and the perception of the product, as well as the likelihood that someone will purchase the product. This study examines the effect of the product reviews and their different images and text on perceived credibility, source trustworthiness and purchase intention. Consistent with predictions based on the information processing theory, perceived anthropomorphism influences perceived credibility, source trust, and purchase intention.

Source position error influence on industry CT image quality

International Nuclear Information System (INIS)

Cong Peng; Li Zhipeng; Wu Haifeng

2004-01-01

Based on the emulational exercise, the influence of source position error on industry CT (ICT) image quality was studied and the valuable parameters were obtained for the design of ICT. The vivid container CT image was also acquired from the CT testing system. (authors)

Online molecular image repository and analysis system: A multicenter collaborative open-source infrastructure for molecular imaging research and application.

Science.gov (United States)

Rahman, Mahabubur; Watabe, Hiroshi

2018-05-01

Molecular imaging serves as an important tool for researchers and clinicians to visualize and investigate complex biochemical phenomena using specialized instruments; these instruments are either used individually or in combination with targeted imaging agents to obtain images related to specific diseases with high sensitivity, specificity, and signal-to-noise ratios. However, molecular imaging, which is a multidisciplinary research field, faces several challenges, including the integration of imaging informatics with bioinformatics and medical informatics, requirement of reliable and robust image analysis algorithms, effective quality control of imaging facilities, and those related to individualized disease mapping, data sharing, software architecture, and knowledge management. As a cost-effective and open-source approach to address these challenges related to molecular imaging, we develop a flexible, transparent, and secure infrastructure, named MIRA, which stands for Molecular Imaging Repository and Analysis, primarily using the Python programming language, and a MySQL relational database system deployed on a Linux server. MIRA is designed with a centralized image archiving infrastructure and information database so that a multicenter collaborative informatics platform can be built. The capability of dealing with metadata, image file format normalization, and storing and viewing different types of documents and multimedia files make MIRA considerably flexible. With features like logging, auditing, commenting, sharing, and searching, MIRA is useful as an Electronic Laboratory Notebook for effective knowledge management. In addition, the centralized approach for MIRA facilitates on-the-fly access to all its features remotely through any web browser. Furthermore, the open-source approach provides the opportunity for sustainable continued development. MIRA offers an infrastructure that can be used as cross-boundary collaborative MI research platform for the rapid

A new approach to the method of source-sink potentials for molecular conduction

Energy Technology Data Exchange (ETDEWEB)

Pickup, Barry T., E-mail: B.T.Pickup@sheffield.ac.uk, E-mail: P.W.Fowler@sheffield.ac.uk; Fowler, Patrick W., E-mail: B.T.Pickup@sheffield.ac.uk, E-mail: P.W.Fowler@sheffield.ac.uk; Borg, Martha [Department of Chemistry, University of Sheffield, Sheffield S3 7HF (United Kingdom); Sciriha, Irene [Department of Mathematics, University of Malta, Msida (Malta)

2015-11-21

We re-derive the tight-binding source-sink potential (SSP) equations for ballistic conduction through conjugated molecular structures in a form that avoids singularities. This enables derivation of new results for families of molecular devices in terms of eigenvectors and eigenvalues of the adjacency matrix of the molecular graph. In particular, we define the transmission of electrons through individual molecular orbitals (MO) and through MO shells. We make explicit the behaviour of the total current and individual MO and shell currents at molecular eigenvalues. A rich variety of behaviour is found. A SSP device has specific insulation or conduction at an eigenvalue of the molecular graph (a root of the characteristic polynomial) according to the multiplicities of that value in the spectra of four defined device polynomials. Conduction near eigenvalues is dominated by the transmission curves of nearby shells. A shell may be inert or active. An inert shell does not conduct at any energy, not even at its own eigenvalue. Conduction may occur at the eigenvalue of an inert shell, but is then carried entirely by other shells. If a shell is active, it carries all conduction at its own eigenvalue. For bipartite molecular graphs (alternant molecules), orbital conduction properties are governed by a pairing theorem. Inertness of shells for families such as chains and rings is predicted by selection rules based on node counting and degeneracy.

Influence of external source location in the reactivity calculation

International Nuclear Information System (INIS)

Silva, Adilson Costa da; Silva, Fernando Carvalho da; Martinez, Aquilino Senra

2011-01-01

We used the neutron diffusion equation with external neutron sources, in cartesian geometry and the two groups of energy, to verify the influence of external neutron source locations in the reactivity calculation. For this, a coarse mesh finite difference method was developed for the adjoint flux calculation and simplifies reactivity calculation in PWR type reactor, which uses the output of the nodal expansion method. The results were obtained for different locations on the two-dimensional plane, as well as for different types of fuel elements in the reactor core. (author)

Influence of external source location in the reactivity calculation

Energy Technology Data Exchange (ETDEWEB)

Silva, Adilson Costa da; Silva, Fernando Carvalho da; Martinez, Aquilino Senra, E-mail: asilva@con.ufrj.b, E-mail: fernando@con.ufrj.b, E-mail: Aquilino@lmp.ufrj.b [Coordenacao dos Programas de Pos-Graduacao de Engenharia (PEN/COPPE/UFRJ), Rio de Janeiro, RJ (Brazil). Programa de Engenharia Nuclear

2011-07-01

We used the neutron diffusion equation with external neutron sources, in cartesian geometry and the two groups of energy, to verify the influence of external neutron source locations in the reactivity calculation. For this, a coarse mesh finite difference method was developed for the adjoint flux calculation and simplifies reactivity calculation in PWR type reactor, which uses the output of the nodal expansion method. The results were obtained for different locations on the two-dimensional plane, as well as for different types of fuel elements in the reactor core. (author)

Influence of dietary lipid sources on sensory characteristics of broiler

African Journals Online (AJOL)

Influence of dietary lipid sources on sensory characteristics of broiler meat ... fatty acid profile of poultry products such as eggs and meat by means of dietary inclusion of ..... Designer eggs: From improvement of egg composition to functional.

Molecular evolution in court: analysis of a large hepatitis C virus outbreak from an evolving source.

Science.gov (United States)

González-Candelas, Fernando; Bracho, María Alma; Wróbel, Borys; Moya, Andrés

2013-07-19

Molecular phylogenetic analyses are used increasingly in the epidemiological investigation of outbreaks and transmission cases involving rapidly evolving RNA viruses. Here, we present the results of such an analysis that contributed to the conviction of an anesthetist as being responsible for the infection of 275 of his patients with hepatitis C virus. We obtained sequences of the NS5B and E1-E2 regions in the viral genome for 322 patients suspected to have been infected by the doctor, and for 44 local, unrelated controls. The analysis of 4,184 cloned sequences of the E1-E2 region allowed us to exclude 47 patients from the outbreak. A subset of patients had known dates of infection. We used these data to calibrate a relaxed molecular clock and to determine a rough estimate of the time of infection for each patient. A similar analysis led to an estimate for the time of infection of the source. The date turned out to be 10 years before the detection of the outbreak. The number of patients infected was small at first, but it increased substantially in the months before the detection of the outbreak. We have developed a procedure to integrate molecular phylogenetic reconstructions of rapidly evolving viral populations into a forensic setting adequate for molecular epidemiological analysis of outbreaks and transmission events. We applied this procedure to a large outbreak of hepatitis C virus caused by a single source and the results obtained played a key role in the trial that led to the conviction of the suspected source.

Organic carbon source in formulated sediments influences life traits and gene expression of Caenorhabditis elegans.

Science.gov (United States)

Franzen, Julia; Menzel, Ralph; Höss, Sebastian; Claus, Evelyn; Steinberg, Christian E W

2012-03-01

River water quality is strongly influenced by their sediments and their associated pollutants. To assess the toxic potential of sediments, sediment toxicity tests require reliable control sediments, potentially including formulated control sediments as one major option. Although some standardization has been carried out, one critical issue still remains the quality of sediment organic matter (SOM). Organic carbon not only binds hydrophobic contaminants, but may be a source of mild toxicity, even if the SOM is essentially uncontaminated. We tested two different sources of organic carbon and the mixture of both (Sphagnum peat (P) and one commercial humic substances preparation-HuminFeed(®), HF) in terms of life trait variables and expression profiles of selected life performance and stress genes of the nematode Caenorhabditis elegans. In synchronous cultures, gene expression profiling was done after 6 and 48 h, respectively. The uncontaminated Sphagnum P reduced growth, but increased numbers of offspring, whereas HF did not significantly alter life trait variables. The 6 h expression profile showed most of the studied stress genes repressed, except for slight to strong induction in cyp-35B1 (all exposures), gst-38 (only mixture), and small hsp-16 genes (all exposures). After 48 h, the expression of almost all studied genes increased, particularly genes coding for antioxidative defense, multiple xenobiotic resistance, vitellogenin-like proteins, and genes regulating lifespan. Overall, even essentially uncontaminated SOM may induce several modes of action on the molecular level in C. elegans which may lead to false results if testing synthetic xenobiotics. This contribution is a plea for a strict standardization of the SOM quality in formulated sediments and to check for corresponding effects in other model sediment organisms, especially if using molecular toxicity endpoints.

Empirical Study on Factors Influencing Residents' Behavior of Separating Household Wastes at Source

Institute of Scientific and Technical Information of China (English)

Qu Ying; Zhu Qinghua; Murray Haight

2007-01-01

Source separation is the basic premise for making effective use of household wastes. In eight cities of China, however, several pilot projects of source separation finally failed because of the poor participation rate of residents. In order to solve this problem, identifying those factors that influence residents' behavior of source separation becomes crucial. By means of questionnaire survey, we conducted descriptive analysis and exploratory factor analysis. The results show that trouble-feeling, moral notion, environment protection, public education, environment value and knowledge deficiency are the main factors that play an important role for residents in deciding to separate their household wastes. Also, according to the contribution percentage of the six main factors to the total behavior of source separation, their influencing power is analyzed, which will provide suggestions on household waste management for policy makers and decision makers in China.

Classifying Sources Influencing Indoor Air Quality (IAQ Using Artificial Neural Network (ANN

Directory of Open Access Journals (Sweden)

Shaharil Mad Saad

2015-05-01

Full Text Available Monitoring indoor air quality (IAQ is deemed important nowadays. A sophisticated IAQ monitoring system which could classify the source influencing the IAQ is definitely going to be very helpful to the users. Therefore, in this paper, an IAQ monitoring system has been proposed with a newly added feature which enables the system to identify the sources influencing the level of IAQ. In order to achieve this, the data collected has been trained with artificial neural network or ANN—a proven method for pattern recognition. Basically, the proposed system consists of sensor module cloud (SMC, base station and service-oriented client. The SMC contain collections of sensor modules that measure the air quality data and transmit the captured data to base station through wireless network. The IAQ monitoring system is also equipped with IAQ Index and thermal comfort index which could tell the users about the room’s conditions. The results showed that the system is able to measure the level of air quality and successfully classify the sources influencing IAQ in various environments like ambient air, chemical presence, fragrance presence, foods and beverages and human activity.

The Advanced Light Source: A new tool for research in atomic and molecular physics

International Nuclear Information System (INIS)

Schlachter, F.; Robinson, A.

1991-04-01

The Advanced Light Source at the Lawrence Berkeley Laboratory will be the world's brightest synchrotron radiation source in the extreme ultraviolet and soft x-ray regions of the spectrum when it begins operation in 1993. It will be available as a national user facility to researchers in a broad range of disciplines, including materials science, atomic and molecular physics, chemistry, biology, imaging, and technology. The high brightness of the ALS will be particularly well suited to high-resolution studies of tenuous targets, such as excited atoms, ions, and clusters. 13 figs., 4 tabs

A photoionization study of hydrogen-bound clusters in a supersonic molecular beam

International Nuclear Information System (INIS)

Cook, K.D.; Jones, G.G.; Taylor, J.W.

1980-01-01

Hydrogen bonding of methanol, methanol-d, ethanol, and trifluoroethanol is investigated with a supersonic molecular beam as a sampling system for a photoionization quadrupole mass spectrometer. Monochromatized vacuum ultraviolet synchrotron radiation is used as the ionizing source. Cluster ions belonging to the series (ROH)sub(n)H + are detected when sampling up to 100-torr alcohol vapor with the molecular beam. No parent cluster molecular ions are detected. Experiments are described which exclude ion-molecule reactions in the mass spectrometer ion source as a possible origin of the cluster ions. Experimental evidence shows that nozzle temperature primarily influences the equilibrium distribution of clusters present in the nozzle source. From the dependences of relative cluster ion intensities on nozzle source temperature, the heats of formation of oligomers of the alcohols are estimated. Cooperative hydrogen bonding is not detected, expect for trifluoroethanol, where the trimer is found to be the most stable cluster. (orig.)

Search for near-infrared counterparts of IRAS embedded sources in the M17 SW giant molecular cloud

International Nuclear Information System (INIS)

Elmegreen, D.M.; Phillips, J.; Beck, K.; Thomas, H.; Howard, J.

1988-01-01

Wide-field near-infrared and blue band plates of the region containing the M17 giant molecular cloud complex have been blinked to locate bright near-infrared stars that may be embedded in the M17 SW giant molecular cloud. Twenty such stars coincided with the positions of IRAS point sources that appeared embedded based on color-color diagrams. Some of these stars may be the sources of the infrared luminosities. Of the 20 stars, seven were too faint to appear on the B band plate. The optical magnitudes and colors determined from the plate image diameters were measured for the other 13 coincident stars; they are most likely upper main-sequence or pre-main-sequence stars with extinctions of 7 mag. The IRAS luminosity-temperature diagram indicates that the embedded sources in M17 are more massive than those in the Orion cloud. 35 references

Patch near-field acoustic holography: The influence of acoustic contributions from outside the source

DEFF Research Database (Denmark)

Fernandez Grande, Efren; Jacobsen, Finn; Zhang, Yong-Bin

2009-01-01

It is a requirement of conventional Near-field Acoustic Holography that the measurement area covers the entire surface of the source. In the case of Patch Near-field Acoustic Holography (patch NAH), the measurement area can be reduced to cover only a specific area of the source which...... is of particular interest (known as the “patch” or “source patch”). The area of the source beyond this patch is not of interest in the analysis. However, its acoustic output may nevertheless contribute to the total sound field in the measurement plane, and influence the reconstruction of the field close...... to the patch. The purpose of this paper is to investigate how the acoustic radiation from outside the patch area influences the reconstruction of the sound field close to the source. The reconstruction is based on simulated measurements of sound pressure and particle velocity. The methods used in this paper...

The influence of different irradiation sources on the treatment of nitrobenzene

Energy Technology Data Exchange (ETDEWEB)

Rodriguez, Miguel [Universidad de Los Andes, Escuela Basica de Ingenieria, La Hechicera, Merida (Venezuela); Timokhin, Vitaliy [Department of Physical Chemistry, Institute of Physical Chemistry, National Academy of Sciences of Ukraine, 3a Naukova Street, 79053 Lviv (Ukraine); Michl, Florian; Contreras, Sandra; Gimenez, Jaime; Esplugas, Santiago [Department d' Enginyeria Quimica i Metallurgia, Universitat de Barcelona, Marti i Franques 1, 08028 Barcelona (Spain)

2002-11-15

This work describes the influence of light on the treatment of nitrobenzene (NB) in aqueous solutions. Three different experimental devices were used to perform a detailed study: a photoreactor with four low-pressure mercury lamps ({lambda}=253.7nm), a tubular photoreactor with a polychromatic Xe lamp (290<{lambda}<1200nm), and finally a solar reactor (sunlight). TOC analyses were performed in order to monitor and compare the extent of these processes, each of them being performed with one of the three different sources of light. The influence of Fe(II), Fe(III), H{sub 2}O{sub 2}, and light on the mineralization of NB in aqueous solutions was also studied. The successful use of sunlight as a source of energy and its effectiveness regarding Fenton processes as well as direct photolysis in the treatment of NB are presented.

Ion-beam-induced aggregation in polystyrene: The influence of the molecular parameters

International Nuclear Information System (INIS)

Puglisi, O.; Licciardello, A.; Calcagno, L.; Foti, G.

1988-01-01

The formation of an insoluble gel under ion-beam bombardment is governed by ion-beam parameters and target parameters. Here reported is a study of the influence of the target molecular parameters on the sol--gel transition of ion-bombarded polystyrene with particular emphasis for the number-average molecular weight M-bar/sub n/. It is shown that the main parameter is the number of macromolcules of the film so that by adopting a ''corrected'' fluence F/n (ions per macromolecule), the different curves of the various polymers collapse in only one universal curve. The importance of the ''corrected'' fluence is shown also at molecular level and the MWD of the various polymers is similar at equal F/n values. An experimental model is outlined which explains the sol--gel transition on the basis of transition from an isolated-track regime to an overlap regime where the formation of insoluble giant macromolecules occurs

Gas Source Techniques for Molecular Beam Epitaxy of Highly Mismatched Ge Alloys

Directory of Open Access Journals (Sweden)

Chad A. Stephenson

2016-12-01

Full Text Available Ge and its alloys are attractive candidates for a laser compatible with silicon integrated circuits. Dilute germanium carbide (Ge1−xCx offers a particularly interesting prospect. By using a precursor gas with a Ge4C core, C can be preferentially incorporated in substitutional sites, suppressing interstitial and C cluster defects. We present a method of reproducible and upscalable gas synthesis of tetrakis(germylmethane, or (H3Ge4C, followed by the design of a hybrid gas/solid-source molecular beam epitaxy system and subsequent growth of defect-free Ge1−xCx by molecular beam epitaxy (MBE. Secondary ion mass spectroscopy, transmission electron microscopy and contactless electroreflectance confirm the presence of carbon with very high crystal quality resulting in a decrease in the direct bandgap energy. This technique has broad applicability to growth of highly mismatched alloys by MBE.

Influence of Bernstein modes on the efficiency of electron cyclotron resonance x-ray source

International Nuclear Information System (INIS)

Andreev, V. V.; Nikitin, G.V.; Savanovich, V.Yu.; Umnov, A.M.; Elizarov, L.I.; Serebrennikov, K.S.; Vostrikova, E.A.

2006-01-01

The article considers the factors influencing the temperature of hot electron component in an electron cyclotron resonance (ECR) x-ray source. In such sources the electron heating occurs often due to extraordinary electromagnetic wave propagating perpendicularly to the magnetic field. In this case the possibility of the absorption of Bernstein modes is regarded as an additional mechanism of electron heating. The Bernstein modes in an ECR x-ray source can arise due to either linear transformation or parametric instability of external transversal wave. The article briefly reviews also the further experiments which will be carried out to study the influence of Bernstein modes on the increase of hot electron temperature and consequently of x-ray emission

The fractal nature materials microstructure influence on electrochemical energy sources

Directory of Open Access Journals (Sweden)

Mitić V.V.

2015-01-01

Full Text Available With increasing of the world energy crisis, research for new, renewable and alternative energy sources are in growth. The focus is on research areas, sometimes of minor importance and applications, where the different synthesis methods and microstructure properties optimization, performed significant improvement of output materials’ and components’ electro-physical properties, which is important for higher energy efficiency and in the electricity production (batteries and battery systems, fuel cells and hydrogen energy contribution. Also, the storage tanks capacity improvement, for the energy produced on such way, which is one of the most important development issues in the energy sphere, represents a very promising research and application area. Having in mind, the results achieved in the electrochemical energy sources field, especially electrolyte development, these energy sources, materials fractal nature optimization analysis contribution, have been investigated. Based on materials fractal structure research field, particularly electronic materials, we have performed microstructure influence parameters research in electrochemistry area. We have investigated the Ho2O3 concentration influence (from 0.01wt% to 1wt% and sintering temperature (from 1320°C to 1380°C, as consolidation parameters, and thus, also open the electrochemical function fractalization door and in the basic thermodynamic parameters the fractal correction introduced. The fractal dimension dependence on additive concentration is also investigated. [Projekat Ministarstva nauke Republike Srbije, br. 172057: Directed synthesis, structure and properties of multifunctional materials

Influence of functional groups on charge transport in molecular junctions

DEFF Research Database (Denmark)

Mowbray, Duncan; Jones, Glenn; Thygesen, Kristian Sommer

2008-01-01

Using density functional theory (DFT), we analyze the influence of five classes of functional groups, as exemplified by NO2, OCH3, CH3, CCl3, and I, on the transport properties of a 1,4-benzenedithiolate (BDT) and 1,4-benzenediamine (BDA) molecular junction with gold electrodes. Our analysis...... demonstrates how ideas from functional group chemistry may be used to engineer a molecule's transport properties, as was shown experimentally and using a semiempirical model for BDA [Nano Lett. 7, 502 (2007)]. In particular, we show that the qualitative change in conductance due to a given functional group can...... be predicted from its known electronic effect (whether it is sigma/pi donating/withdrawing). However, the influence of functional groups on a molecule's conductance is very weak, as was also found in the BDA experiments. The calculated DFT conductances for the BDA species are five times larger than...

The influence of carbon source and calcium on the production of ...

African Journals Online (AJOL)

use

2011-12-10

Dec 10, 2011 ... The influence of carbon source and calcium on the production of ... Furthermore, since the middle lamella contains high levels of calcium, it was thought that it may play an important ..... Processing of the pectate lyase PelI by ...

Beyond the Alphabet Soup: Molecular Properties of Aerosol Components Influence Optics. (Invited)

Science.gov (United States)

Thompson, J. E.

2013-12-01

Components within atmospheric aerosols exhibit almost every imaginable model of chemical bonding and physical diversity. The materials run the spectrum from crystalline to amorphous, covalent to ionic, and have varying viscosities, phase, and hygroscopicity. This seminar will focus on the molecular properties of materials that influence the optical behavior of aerosols. Special focus will be placed on the polarizability of materials, hygroscopic growth, and particle phase.

Influence of starch source in the required hydrolysis time for the ...

African Journals Online (AJOL)

Influence of starch source in the required hydrolysis time for the production of maltodextrins with different dextrose equivalent. José Luis Montañez Soto, Luis Medina García, José Venegas González, Aurea Bernardino Nicanor, Leopoldo González Cruz ...

A source of translationally cold molecular beams

Science.gov (United States)

Sarkozy, Laszlo C.

Currently the fields studying or using molecules with low kinetic energies are experiencing an unprecedented growth. Astronomers and chemists are interested in chemical reactions taking place at temperatures below or around 20 K, spectroscopists could make very precise measurements on slow molecules and molecular physicists could chart the potential energy surfaces more accurately. And the list continues. All of these experiments need slow molecules, with kinetic energies from around 10 cm-1 down to 0. Several designs of cold sources have already been made. The most interesting ones are presented. This work describes the design and the testing of a cold source based on the collisional cooling technique: the molecules of interest are cooled well below their freezing point by a precooled buffer gas. This way condensation is avoided. The source is a copper cell cooled to 4.2 K by an external liquid helium bath. The cell is filled with cold buffer gas (helium). The molecules of choice (ammonia) are injected through a narrow tube in the middle of the cell. The cold molecules leave the cell through a 1 millimeter hole. Two versions of pulsing techniques have been employed: a shutter blade which covers the source hole and opens it only for short moments, and a chopper that modulates the beam further downstream. Both produced pulse lengths around 1 millisecond. The source is tested in an experiment in which the emerging molecules are focused and detected. Time of flight technique is used to measure the kinetic energies. Two detectors have been employed: a microwave cavity to analyze the state of the molecules in the beam, and a mass spectrometer to measure the number density of the particles. The molecules coming out of the source hole are formed into a beam by an electrostatic quadrupole state selector. The quantum mechanical aspects and the elements of electrodynamics involved in the focusing are described. A computer simulation program is presented, which helped

Influence of the external neutron sources in the criticality prediction using 1/M curve

Energy Technology Data Exchange (ETDEWEB)

Pereira, Valmir [COPPE/UFRJ, Programa de Engenharia Nuclear, Caixa Postal 68509, 21941-972 Rio de Janeiro (Brazil); Carvalho da Silva, Fernando [COPPE/UFRJ, Programa de Engenharia Nuclear, Caixa Postal 68509, 21941-972 Rio de Janeiro (Brazil); Martinez, Aquilino Senra [COPPE/UFRJ, Programa de Engenharia Nuclear, Caixa Postal 68509, 21941-972 Rio de Janeiro (Brazil)]. E-mail: aquilino@lmp.ufrj.br

2005-11-15

The influence of external neutron sources in the process to obtain the criticality condition is estimated. To reach this objective, the three-dimensional neutron diffusion equation in two groups of energy is solved, for a subcritical PWR reactor core with external neutron sources. The results are compared with the solution of the corresponding problem without external neutron sources, that is an eigenvalue problem. The method developed for this purposes it makes use of both the nodal method (for calculation of the neutron flux) and the finite differences method (for calculation of the adjoint flux). A coarse mesh finite difference method was developed for the adjoint flux calculation, which uses the output of the nodal expansion method. The results regarding the influence of the external neutron source presence for attaining criticality have shown that far from criticality it is necessary to calculate the reactivity values of the system.

Influence of the external neutron sources in the criticality prediction using 1/M curve

International Nuclear Information System (INIS)

Pereira, Valmir; Carvalho da Silva, Fernando; Martinez, Aquilino Senra

2005-01-01

The influence of external neutron sources in the process to obtain the criticality condition is estimated. To reach this objective, the three-dimensional neutron diffusion equation in two groups of energy is solved, for a subcritical PWR reactor core with external neutron sources. The results are compared with the solution of the corresponding problem without external neutron sources, that is an eigenvalue problem. The method developed for this purposes it makes use of both the nodal method (for calculation of the neutron flux) and the finite differences method (for calculation of the adjoint flux). A coarse mesh finite difference method was developed for the adjoint flux calculation, which uses the output of the nodal expansion method. The results regarding the influence of the external neutron source presence for attaining criticality have shown that far from criticality it is necessary to calculate the reactivity values of the system

Plant-aphid interactions: molecular and ecological perspectives.

Science.gov (United States)

Goggin, Fiona L

2007-08-01

Many aphids are major agricultural pests because of their unparalleled reproductive capacity and their ability to manipulate host plant physiology. Aphid population growth and its impact on plant fitness are strongly influenced by interactions with other organisms, including plant pathogens, endophytes, aphid endosymbionts, predators, parasitoids, ants, and other herbivores. Numerous molecular and genomic resources have recently been developed to identify sources of aphid resistance in plants, as well as potentially novel targets for control in aphids. Moreover, the same model systems that are used to explore direct molecular interactions between plants and aphids can be utilized to study the ecological context in which they occur.

Calculations of optical rotation: Influence of molecular structure

Directory of Open Access Journals (Sweden)

Yu Jia

2012-01-01

Full Text Available Ab initio Hartree-Fock (HF method and Density Functional Theory (DFT were used to calculate the optical rotation of 26 chiral compounds. The effects of theory and basis sets used for calculation, solvents influence on the geometry and values of calculated optical rotation were all discussed. The polarizable continuum model, included in the calculation, did not improve the accuracy effectively, but it was superior to γs. Optical rotation of five or sixmembered of cyclic compound has been calculated and 17 pyrrolidine or piperidine derivatives which were calculated by HF and DFT methods gave acceptable predictions. The nitrogen atom affects the calculation results dramatically, and it is necessary in the molecular structure in order to get an accurate computation result. Namely, when the nitrogen atom was substituted by oxygen atom in the ring, the calculation result deteriorated.

Biomedical Activity of Chitin/Chitosan Based Materials—Influence of Physicochemical Properties Apart from Molecular Weight and Degree of N-Acetylation

Directory of Open Access Journals (Sweden)

Mirko X. Weinhold

2011-11-01

Full Text Available The physicochemical nature of chitin and chitosan, which influences the biomedical activity of these compounds, is strongly related to the source of chitin and the conditions of the chitin/chitosan production process. Apart from widely described key factors such as weight-averaged molecular weight (MW and degree of N-acetylation (DA, other physicochemical parameters like polydispersity (MW/MN, crystallinity or the pattern of acetylation (PA have to be taken into consideration. From the biological point of view, these parameters affect a very important factor—the solubility of chitin and chitosan in water and organic solvents. The physicochemical properties of chitosan solutions can be controlled by manipulating solution conditions (temperature, pH, ionic strength, concentration, solvent. The degree of substitution of the hydroxyl and the amino groups or the degree of quaternization of the amino groups also influence the mechanical and biological properties of chitosan samples. Finally, a considerable research effort has been directed towards developing safe and efficient chitin/chitosan-based products because many factors, like the size of nanoparticles, can determine the biomedical characteristics of medicinal products. The influence of these factors on the biomedical activity of chitin/chitosan-based products is presented in this report in more detail.

Sexual knowledge, attitude, behaviors and sources of influences in Urban college youth: A study from India

Directory of Open Access Journals (Sweden)

Siddharth Dutt

2017-01-01

Full Text Available Background: The study was undertaken as there is very less literature related to sources of influence for sexual knowledge and attitude toward sex and sexual behaviors of youth in India. Aim: The objectives of the study were to explore sexual knowledge, attitudes, behaviors and the sources of influence and also to examine the relationship between sexual knowledge, attitude and behaviors in the youth. Method: The sample was selected from colleges using purposive sampling method and from the community using snowball method (n = 300. The tools used were sociodemographic data sheet, Sexual Knowledge and Attitude Questionnaire (SKAQ-II and Sexual Behavior and Sources of Influence (SBSI scale. Results: Descriptive statistics and correlation was done to analyze the data. The youth had poor sexual knowledge; there was positive relationship between sexual knowledge and attitudes. Sexual behaviors through media and with self or others were found to be low. Internet was found to be the major source for gathering information and was considered the most reliable source. Conclusion: Indian college youth continue to have poor sexual knowledge. Internet is a major source of information and is considered as the most reliable one among youth. More knowledge about sex is associated with liberal attitude toward sex.

Molecular biomarkers for sources of organic matter in lacustrine sediments in a subtropical lake in China.

Science.gov (United States)

Wang, Yan-Hua; Yang, Hao; Chen, Xia; Zhang, Ji-Xiang; Ou, Jie; Xie, Biao; Huang, Chang-Chun

2013-05-01

N-alkanes distributions and stable isotopic compositions (δ(13)C and δ(15)N) in the lacustrine sediments of Shijiu lake were measured to assess whether biological source information was recorded in the molecular biomarker. Results showed regular unimodal n-alkanes distribution in range of C16-C33 with strong predominance of odd-numbered n-alkanes, maximizing at C29. The δ(15)N for SON were uniformly low, ranging from -6.7‰ to 3.8‰ and C/N ratios ranged from 6.6 to 10.0, suggesting that most of organic matter was influenced by terrestrial characteristics of the watershed. The δ(13)C for C27 to C31n-alkanes and for SOC varied from -32.9‰ to -26.6‰ and -23.4‰ to -21.6‰, respectively, falling within the range of corresponding n-alkanes in leaves mainly from C3 land plants. The values of C/N, CPI, OEP, ACL and C27/C31 exhibit similar temporal changes with the primary production, showing enhanced eutrophication resulted from increased anthropogenic activities in Shijiu lake from 1852 to 2010. Copyright © 2013 Elsevier Ltd. All rights reserved.

Hollow-anode plasma source for molecular beam epitaxy of gallium nitride

International Nuclear Information System (INIS)

Anders, A.; Newman, N.; Rubin, M.; Dickinson, M.; Jones, E.; Phatak, P.; Gassmann, A.

1996-01-01

GaN films have been grown by molecular beam epitaxy (MBE) using a hollow-anode nitrogen plasma source. The source was developed to minimize defect formation as a result of contamination and ion damage. The hollow-anode discharge is a special form of glow discharge with very small anode area. A positive anode voltage drop of 30 endash 40 V and an increased anode sheath thickness leads to ignition of a relatively dense plasma in front of the anode hole. Driven by the pressure gradient, the open-quote open-quote anode close-quote close-quote plasma forms a bright plasma jet streaming with supersonic velocity towards the substrate. Films of GaN have been grown on (0001) SiC and (0001) Al 2 O 3 at 600 endash 800 degree C. The films were investigated by photoluminescence, cathodoluminescence, x-ray diffraction, Rutherford backscattering, and particle-induced x-ray emission. The film with the highest structural quality had a rocking curve width of 5 arcmin, the lowest reported value for MBE growth to date. copyright 1996 American Institute of Physics

Long-term monitoring of molecular markers can distinguish different seasonal patterns of fecal indicating bacteria sources.

Science.gov (United States)

Riedel, Timothy E; Thulsiraj, Vanessa; Zimmer-Faust, Amity G; Dagit, Rosi; Krug, Jenna; Hanley, Kaitlyn T; Adamek, Krista; Ebentier, Darcy L; Torres, Robert; Cobian, Uriel; Peterson, Sophie; Jay, Jennifer A

2015-03-15

Elevated levels of fecal indicator bacteria (FIB) have been observed at Topanga Beach, CA, USA. To identify the FIB sources, a microbial source tracking study using a dog-, a gull- and two human-associated molecular markers was conducted at 10 sites over 21 months. Historical data suggest that episodic discharge from the lagoon at the mouth of Topanga Creek is the main source of bacteria to the beach. A decline in creek FIB/markers downstream from upper watershed development and a sharp increase in FIB/markers at the lagoon sites suggest sources are local to the lagoon. At the lagoon and beach, human markers are detected sporadically, dog marker peaks in abundance mid-winter, and gull marker is chronically elevated. Varied seasonal patterns of FIB and source markers were identified showing the importance of applying a suite of markers over long-term spatial and temporal sampling to identify a complex combination of sources of contamination. Copyright © 2014 Elsevier Ltd. All rights reserved.

Sensitivity of molecular marker-based CMB models to biomass burning source profiles

Science.gov (United States)

Sheesley, Rebecca J.; Schauer, James J.; Zheng, Mei; Wang, Bo

To assess the contribution of sources to fine particulate organic carbon (OC) at four sites in North Carolina, USA, a molecular marker chemical mass balance model (MM-CMB) was used to quantify seasonal contributions for 2 years. The biomass burning contribution at these sites was found to be 30-50% of the annual OC concentration. In order to provide a better understanding of the uncertainty in MM-CMB model results, a biomass burning profile sensitivity test was performed on the 18 seasonal composites. The results using reconstructed emission profiles based on published profiles compared well, while model results using a single source test profile resulted in biomass burning contributions that were more variable. The biomass burning contribution calculated using an average regional profile of fireplace emissions from five southeastern tree species also compared well with an average profile of open burning of pine-dominated forest from Georgia. The standard deviation of the results using different source profiles was a little over 30% of the annual average biomass contributions. Because the biomass burning contribution accounted for 30-50% of the OC at these sites, the choice of profile also impacted the motor vehicle source attribution due to the common emission of elemental carbon and polycyclic aromatic hydrocarbons. The total mobile organic carbon contribution was less effected by the biomass burning profile than the relative contributions from gasoline and diesel engines.

Source-sink interaction: a century old concept under the light of modern molecular systems biology.

Science.gov (United States)

Chang, Tian-Gen; Zhu, Xin-Guang; Raines, Christine

2017-07-20

Many approaches to engineer source strength have been proposed to enhance crop yield potential. However, a well-co-ordinated source-sink relationship is required finally to realize the promised increase in crop yield potential in the farmer's field. Source-sink interaction has been intensively studied for decades, and a vast amount of knowledge about the interaction in different crops and under different environments has been accumulated. In this review, we first introduce the basic concepts of source, sink and their interactions, then summarize current understanding of how source and sink can be manipulated through both environmental control and genetic manipulations. We show that the source-sink interaction underlies the diverse responses of crops to the same perturbations and argue that development of a molecular systems model of source-sink interaction is required towards a rational manipulation of the source-sink relationship for increased yield. We finally discuss both bottom-up and top-down routes to develop such a model and emphasize that a community effort is needed for development of this model. © The Author 2017. Published by Oxford University Press on behalf of the Society for Experimental Biology. All rights reserved. For permissions, please email: journals.permissions@oup.com.

Optimization of Uranium Molecular Deposition for Alpha-Counting Sources

Energy Technology Data Exchange (ETDEWEB)

Monzo, Ellen [Univ. of Minnesota, Duluth, MN (United States); Parsons-Moss, Tashi [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Genetti, Victoria [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Knight, Kimberly [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

2016-12-12

Method development for molecular deposition of uranium onto aluminum 1100 plates was conducted with custom plating cells at Lawrence Livermore National Laboratory. The method development focused primarily on variation of electrode type, which was expected to directly influence plated sample homogeneity. Solid disc platinum and mesh platinum anodes were compared and data revealed that solid disc platinum anodes produced more homogenous uranium oxide films. However, the activity distribution also depended on the orientation of the platinum electrode relative to the aluminum cathode, starting current, and material composition of the plating cell. Experiments demonstrated these variables were difficult to control under the conditions available. Variation of plating parameters among a series of ten deposited plates yielded variations up to 30% in deposition efficiency. Teflon particles were observed on samples plated in Teflon cells, which poses a problem for alpha activity measurements of the plates. Preliminary electropolishing and chemical polishing studies were also conducted on the aluminum 1100 cathode plates.

Investigating the influence of DNAPL spill characteristics on source zone architecture and mass removal in pool-dominated source zones

Science.gov (United States)

Wallace, K. A.; Abriola, L.; Chen, M.; Ramsburg, A.; Pennell, K. D.; Christ, J.

2009-12-01

Multiphase, compositional simulators were employed to investigate the spill characteristics and subsurface properties that lead to pool-dominated, dense non-aqueous phase liquid (DNAPL) source zone architectures. DNAPL pools commonly form at textural interfaces where low permeability lenses restrict the vertical migration of DNAPL, allowing for DNAPL to accumulate, reaching high saturation. Significant pooling has been observed in bench-scale experiments and field settings. However, commonly employed numerical simulations rarely predict the pooling suspected in the field. Given the importance of pooling on the efficacy of mass recovery and the down-gradient contaminant signal, it is important to understand the predominant factors affecting the creation of pool-dominated source zones and their subsequent mass discharge. In this work, contaminant properties, spill characteristics and subsurface permeability were varied to investigate the factors contributing to the development of a pool-dominated source zone. DNAPL infiltration and entrapment simulations were conducted in two- and three-dimensional domains using the University of Texas Chemical Compositional (UTCHEM) simulator. A modified version of MT3DMS was then used to simulate DNAPL dissolution and mass discharge. Numerical mesh size was varied to investigate the importance of numerical model parameters on simulations results. The temporal evolution of commonly employed source zone architecture metrics, such as the maximum DNAPL saturation, first and second spatial moments, and fraction of DNAPL mass located in pools, was monitored to determine how the source zone architecture evolved with time. Mass discharge was monitored to identify the link between source zone architecture and down-gradient contaminant flux. Contaminant characteristics and the presence of extensive low permeability lenses appeared to have the most influence on the development of a pool-dominated source zone. The link between DNAPL mass

Phylogenetic estimates of diversification rate are affected by molecular rate variation.

Science.gov (United States)

Duchêne, D A; Hua, X; Bromham, L

2017-10-01

Molecular phylogenies are increasingly being used to investigate the patterns and mechanisms of macroevolution. In particular, node heights in a phylogeny can be used to detect changes in rates of diversification over time. Such analyses rest on the assumption that node heights in a phylogeny represent the timing of diversification events, which in turn rests on the assumption that evolutionary time can be accurately predicted from DNA sequence divergence. But there are many influences on the rate of molecular evolution, which might also influence node heights in molecular phylogenies, and thus affect estimates of diversification rate. In particular, a growing number of studies have revealed an association between the net diversification rate estimated from phylogenies and the rate of molecular evolution. Such an association might, by influencing the relative position of node heights, systematically bias estimates of diversification time. We simulated the evolution of DNA sequences under several scenarios where rates of diversification and molecular evolution vary through time, including models where diversification and molecular evolutionary rates are linked. We show that commonly used methods, including metric-based, likelihood and Bayesian approaches, can have a low power to identify changes in diversification rate when molecular substitution rates vary. Furthermore, the association between the rates of speciation and molecular evolution rate can cause the signature of a slowdown or speedup in speciation rates to be lost or misidentified. These results suggest that the multiple sources of variation in molecular evolutionary rates need to be considered when inferring macroevolutionary processes from phylogenies. © 2017 European Society For Evolutionary Biology. Journal of Evolutionary Biology © 2017 European Society For Evolutionary Biology.

Source Apportionment and Influencing Factor Analysis of Residential Indoor PM2.5 in Beijing

Science.gov (United States)

Yang, Yibing; Liu, Liu; Xu, Chunyu; Li, Na; Liu, Zhe; Wang, Qin; Xu, Dongqun

2018-01-01

In order to identify the sources of indoor PM2.5 and to check which factors influence the concentration of indoor PM2.5 and chemical elements, indoor concentrations of PM2.5 and its related elements in residential houses in Beijing were explored. Indoor and outdoor PM2.5 samples that were monitored continuously for one week were collected. Indoor and outdoor concentrations of PM2.5 and 15 elements (Al, As, Ca, Cd, Cu, Fe, K, Mg, Mn, Na, Pb, Se, Tl, V, Zn) were calculated and compared. The median indoor concentration of PM2.5 was 57.64 μg/m3. For elements in indoor PM2.5, Cd and As may be sensitive to indoor smoking, Zn, Ca and Al may be related to indoor sources other than smoking, Pb, V and Se may mainly come from outdoor. Five factors were extracted for indoor PM2.5 by factor analysis, explained 76.8% of total variance, outdoor sources contributed more than indoor sources. Multiple linear regression analysis for indoor PM2.5, Cd and Pb was performed. Indoor PM2.5 was influenced by factors including outdoor PM2.5, smoking during sampling, outdoor temperature and time of air conditioner use. Indoor Cd was affected by factors including smoking during sampling, outdoor Cd and building age. Indoor Pb concentration was associated with factors including outdoor Pb and time of window open per day, building age and RH. In conclusion, indoor PM2.5 mainly comes from outdoor sources, and the contributions of indoor sources also cannot be ignored. Factors associated indoor and outdoor air exchange can influence the concentrations of indoor PM2.5 and its constituents. PMID:29621164

Influence of the radioactive source position inside the well-type ionization chamber

International Nuclear Information System (INIS)

Kuahara, L.T.; Correa, E.L.; Potiens, M.P.A.

2015-01-01

The activimeter, instrument used in radionuclide activity measurement, consists primarily of a well type ionization chamber coupled to a special electronic device. Its response, after calibration, is shown in activity units (Becquerel or Curie). The goal of this study is to verify radioactive source position influence over activity measured by this instrument. Radioactive sources measurements were made at different depths inside the ionization chamber well. Results showed maximum variation of -23 %, -28 % and -15 % for 57 Co, 133 Ba and 137 Cs, respectively. (author)

Influence of Source Credibility on Consumer Acceptance of Genetically Modified Foods in China

Directory of Open Access Journals (Sweden)

Mingyang Zhang

2016-09-01

Full Text Available This paper examines the reasoning mechanism behind the consumer acceptance of genetically modified foods (GMFs in China, and investigates influence of source credibility on consumer acceptance of GMFs. Based on the original Persuasion Model—which was developed by Carl Hovland, an American psychologist and pioneer in the study of communication and its effect on attitudes and beliefs—we conducted a survey using multistage sampling from 1167 urban residents, which were proportionally selected from six cities in three economic regions (south, central, and north in the Jiangsu province through face to face interviews. Mixed-process regression that could correct endogeneity and ordered probit model were used to test the impact of source credibility on consumers’ acceptance of GMFs. Our major finding was that consumer acceptance of GMFs is affected by such factors as information source credibility, general attitudes, gender, and education levels. The reliability of biotechnology research institutes, government offices devoted to management of GM organisms (GMOs, and GMO technological experts have expedited urban consumer acceptance of GM soybean oil. However, public acceptance can also decrease as faith in the environmental organization. We also found that ignorance of the endogeneity of above mentioned source significantly undervalued its effect on consumers’ acceptance. Moreover, the remaining three sources (non-GMO experts, food companies, and anonymous information found on the Internet had almost no effect on consumer acceptance. Surprisingly, the more educated people in our survey were more skeptical towards GMFs. Our results contribute to the behavioral literature on consumer attitudes toward GMFs by developing a reasoning mechanism determining consumer acceptance of GMFs. Particularly, this paper quantitatively studied the influence of different source credibility on consumer acceptance of GMFs by using mixed-process regression to

Design and synthesis of single-source molecular precursors to homogeneous multi-component oxide materials

Science.gov (United States)

Fujdala, Kyle Lee

This dissertation describes the syntheses of single-source molecular precursors to multi-component oxide materials. These molecules possess a core metal or element with various combinations of -OSi(O tBu)3, -O2P(OtBu) 2, and -OB[OSi(OtBu)3] 2 ligands. Such molecules decompose under mild thermolytic conditions (models for oxide-supported metal species and multi-component oxides. Significantly, the first complexes to contain three or more heteroelements suitable for use in the TMP method have been synthesized. Compounds for use as single-source molecular precursors have been synthesized containing Al, B, Cr, Hf, Mo, V, W, and Zr, and their thermal transformations have been examined. Heterogeneous catalytic reactions have been examined for selected materials. Also, cothermolyses of molecular precursors and additional molecules (i.e., metal alkoxides) have been utilized to provide materials with several components for potential use as catalysts or catalyst supports. Reactions of one and two equivs of HOSi(OtBu) 3 with Cr(OtBu)4 afforded the first Cr(IV) alkoxysiloxy complexes (tBuO) 3CrOSi(OtBu)3 and ( tBuO)2Cr[OSi(OtBu) 3]2, respectively. The high-yielding, convenient synthesis of (tBuO)3CrOSi(O tBu)3 make this complex a useful single-source molecular precursor, via the TMP method, to Cr/Si/O materials. The thermal transformations of (tBuO)3CrOSi(O tBu)3 and (tBuO) 2Cr[OSi(OtBu)3]2 to chromia-silica materials occurr at low temperatures (≤180°C), to give isobutene as the major carbon-containing product. The material generated from the solid-state conversion of (tBuO) 3CrOSi(OtBu)3 (CrOS ss) has an unexpectedly high surface area of 315 m2 g-1 that is slightly reduced to 275 m2 g-1 after calcination at 500°C in O2. The xerogel obtained by the thermolysis of an n-octane solution of (tBuO)3CrOSi(O tBu)3 (CrOSixg) has a surface area of 315 m2 g-1 that is reduced to 205 m2 g-1 upon calcination at 500°C. Powder X-ray diffraction (PXRD) analysis revealed that Cr2O 3 is

Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation

Energy Technology Data Exchange (ETDEWEB)

Kekenes-Huskey, P. M., E-mail: pkekeneshuskey@ucsd.edu [Department of Pharmacology, University of California San Diego, La Jolla, California 92093-0636 (United States); Gillette, A. K. [Department of Mathematics, University of Arizona, Tucson, Arizona 85721-0089 (United States); McCammon, J. A. [Department of Pharmacology, University of California San Diego, La Jolla, California 92093-0636 (United States); Department of Chemistry, Howard Hughes Medical Institute, University of California San Diego, La Jolla, California 92093-0636 (United States)

2014-05-07

The macroscopic diffusion constant for a charged diffuser is in part dependent on (1) the volume excluded by solute “obstacles” and (2) long-range interactions between those obstacles and the diffuser. Increasing excluded volume reduces transport of the diffuser, while long-range interactions can either increase or decrease diffusivity, depending on the nature of the potential. We previously demonstrated [P. M. Kekenes-Huskey et al., Biophys. J. 105, 2130 (2013)] using homogenization theory that the configuration of molecular-scale obstacles can both hinder diffusion and induce diffusional anisotropy for small ions. As the density of molecular obstacles increases, van der Waals (vdW) and electrostatic interactions between obstacle and a diffuser become significant and can strongly influence the latter's diffusivity, which was neglected in our original model. Here, we extend this methodology to include a fixed (time-independent) potential of mean force, through homogenization of the Smoluchowski equation. We consider the diffusion of ions in crowded, hydrophilic environments at physiological ionic strengths and find that electrostatic and vdW interactions can enhance or depress effective diffusion rates for attractive or repulsive forces, respectively. Additionally, we show that the observed diffusion rate may be reduced independent of non-specific electrostatic and vdW interactions by treating obstacles that exhibit specific binding interactions as “buffers” that absorb free diffusers. Finally, we demonstrate that effective diffusion rates are sensitive to distribution of surface charge on a globular protein, Troponin C, suggesting that the use of molecular structures with atomistic-scale resolution can account for electrostatic influences on substrate transport. This approach offers new insight into the influence of molecular-scale, long-range interactions on transport of charged species, particularly for diffusion-influenced signaling events

A two-dimensional transient analytical solution for a ponded ditch drainage system under the influence of source/sink

Science.gov (United States)

Sarmah, Ratan; Tiwari, Shubham

2018-03-01

An analytical solution is developed for predicting two-dimensional transient seepage into ditch drainage network receiving water from a non-uniform steady ponding field from the surface of the soil under the influence of source/sink in the flow domain. The flow domain is assumed to be saturated, homogeneous and anisotropic in nature and have finite extends in horizontal and vertical directions. The drains are assumed to be standing vertical and penetrating up to impervious layer. The water levels in the drains are unequal and invariant with time. The flow field is also assumed to be under the continuous influence of time-space dependent arbitrary source/sink term. The correctness of the proposed model is checked by developing a numerical code and also with the existing analytical solution for the simplified case. The study highlights the significance of source/sink influence in the subsurface flow. With the imposition of the source and sink term in the flow domain, the pathline and travel time of water particles started deviating from their original position and above that the side and top discharge to the drains were also observed to have a strong influence of the source/sink terms. The travel time and pathline of water particles are also observed to have a dependency on the height of water in the ditches and on the location of source/sink activation area.

Influence of Chemistry on source term assessment

International Nuclear Information System (INIS)

Herranz Puebla, L.E.; Lopez Diez, I.; Rodriguez Maroto, J.J.; Martinez Lopez-Alcorocho, A.

1991-01-01

The major goal of a phenomenology analysis of containment during a severe accident situation can be splitedd into the following ones: to know the containment response to the different loads and to predict accurately the fission product and aerosol behavior. In this report, the main results coming from the study of a hypothetical accident scenario, based on LA-4 experiment of LACE project, are presented. In order to do it, several codes have been coupled: CONTEMPT4/MOD5 (thermalhydraulics), NAUA/MOD5 (aerosol physics) and IODE (iodine chemistry). 12 refs. It has been demonstrated the impossibility of assessing with confidence the Source Term if the chemical conduct of some radionuclides is not taken into account. In particular, the influence on the iodine retention efficiency of the sump of variables such as pH has been proven. (Author). 12 refs

SPECTRAL LINE SURVEY TOWARD MOLECULAR CLOUDS IN THE LARGE MAGELLANIC CLOUD

Energy Technology Data Exchange (ETDEWEB)

Nishimura, Yuri; Watanabe, Yoshimasa; Yamamoto, Satoshi [Department of Physics, the University of Tokyo, 7-3-1, Hongo, Bunkyo-ku, Tokyo, 113-0033 (Japan); Shimonishi, Takashi [Frontier Research Institute for Interdisciplinary Sciences, Tohoku University, Aramakiazaaoba 6-3, Aoba-ku, Sendai, Miyagi, 980-8578 (Japan); Sakai, Nami [RIKEN, 2-1 Hirosawa, Wako, Saitama 351-0198 (Japan); Aikawa, Yuri [Center for Computational Sciences, The University of Tsukuba, 1-1-1, Tennodai, Tsukuba, Ibaraki 305-8577 (Japan); Kawamura, Akiko [National Astronomical Observatory of Japan, Osawa, Mitaka, Tokyo, 181-8588 (Japan)

2016-02-20

Spectral line survey observations of seven molecular clouds in the Large Magellanic Cloud (LMC) have been conducted in the 3 mm band with the Mopra 22 m telescope to reveal chemical compositions in low metallicity conditions. Spectral lines of fundamental species such as CS, SO, CCH, HCN, HCO{sup +}, and HNC are detected in addition to those of CO and {sup 13}CO, while CH{sub 3}OH is not detected in any source and N{sub 2}H{sup +} is marginally detected in two sources. The molecular-cloud scale (10 pc scale) chemical composition is found to be similar among the seven sources regardless of different star formation activities, and hence, it represents the chemical composition characteristic of the LMC without influences by star formation activities. In comparison with chemical compositions of Galactic sources, the characteristic features are (1) deficient N-bearing molecules, (2) abundant CCH, and (3) deficient CH{sub 3}OH. Feature (1) is due to a lower elemental abundance of nitrogen in the LMC, whereas features (2) and (3) seem to originate from extended photodissociation regions and warmer temperature in cloud peripheries due to a lower abundance of dust grains in the low metallicity condition. In spite of general resemblance of chemical abundances among the seven sources, the CS/HCO{sup +} and SO/HCO{sup +} ratios are found to be slightly higher in a quiescent molecular cloud. An origin of this trend is discussed in relation to possible depletion of sulfur along the molecular cloud formation.

Influence of carbon source on alpha-amylase production by Aspergillus oryzae

DEFF Research Database (Denmark)

Carlsen, Morten; Nielsen, Jens

2001-01-01

on sucrose, fructose, glycerol, mannitol and acetate. During growth on acetate there was no production of alpha -amylase, whereas addition of small amounts of glucose resulted in alpha -amylase production. A possible induction by alpha -methyl-D-glucoside during growth on glucose was also investigated......, but this compound was not found to be a better inducer of alpha -amylase production than glucose. The results strongly indicate that besides acting as a repressor via the CreA protein, glucose acts as an inducer.......The influence of the carbon source on a-amylase production by Aspergillus oryzae was quantified in carbon-limited chemostat cultures. The following carbon sources were investigated: maltose, maltodextrin (different chain lengths), glucose, fructose, galactose, sucrose, glycerol, mannitol...

The Influence of Direct and Indirect Speech on Source Memory

Directory of Open Access Journals (Sweden)

Anita Eerland

2018-02-01

Full Text Available People perceive the same situation described in direct speech (e.g., John said, “I like the food at this restaurant” as more vivid and perceptually engaging than described in indirect speech (e.g., John said that he likes the food at the restaurant. So, if direct speech enhances the perception of vividness relative to indirect speech, what are the effects of using indirect speech? In four experiments, we examined whether the use of direct and indirect speech influences the comprehender’s memory for the identity of the speaker. Participants read a direct or an indirect speech version of a story and then addressed statements to one of the four protagonists of the story in a memory task. We found better source memory at the level of protagonist gender after indirect than direct speech (Exp. 1–3. When the story was rewritten to make the protagonists more distinctive, we also found an effect of speech type on source memory at the level of the individual, with better memory after indirect than direct speech (Exp. 3–4. Memory for the content of the story, however, was not influenced by speech type (Exp. 4. While previous research showed that direct speech may enhance memory for how something was said, we conclude that indirect speech enhances memory for who said what.

Drought Tolerance in Pinus halepensis Seed Sources As Identified by Distinctive Physiological and Molecular Markers.

Science.gov (United States)

Taïbi, Khaled; Del Campo, Antonio D; Vilagrosa, Alberto; Bellés, José M; López-Gresa, María Pilar; Pla, Davinia; Calvete, Juan J; López-Nicolás, José M; Mulet, José M

2017-01-01

Drought is one of the main constraints determining forest species growth, survival and productivity, and therefore one of the main limitations for reforestation or afforestation. The aim of this study is to characterize the drought response at the physiological and molecular level of different Pinus halepensis (common name Aleppo pine) seed sources, previously characterized in field trials as drought-sensitive or drought-tolerant. This approach aims to identify different traits capable of predicting the ability of formerly uncharacterized seedlings to cope with drought stress. Gas-exchange, water potential, photosynthetic pigments, soluble sugars, free amino acids, glutathione and proteomic analyses were carried out on control and drought-stressed seedlings in greenhouse conditions. Gas-exchange determinations were also assessed in field-planted seedlings in order to validate the greenhouse experimental conditions. Drought-tolerant seed sources presented higher values of photosynthetic rates, water use efficiency, photosynthetic pigments and soluble carbohydrates concentrations. We observed the same pattern of variation of photosynthesis rate and maximal efficiency of PSII in field. Interestingly drought-tolerant seed sources exhibited increased levels of glutathione, methionine and cysteine. The proteomic profile of drought tolerant seedlings identified two heat shock proteins and an enzyme related to methionine biosynthesis that were not present in drought sensitive seedlings, pointing to the synthesis of sulfur amino acids as a limiting factor for drought tolerance in Pinus halepensis . Our results established physiological and molecular traits useful as distinctive markers to predict drought tolerance in Pinus halepensis provenances that could be reliably used in reforestation programs in drought prone areas.

Drought Tolerance in Pinus halepensis Seed Sources As Identified by Distinctive Physiological and Molecular Markers

Directory of Open Access Journals (Sweden)

Khaled Taïbi

2017-07-01

Full Text Available Drought is one of the main constraints determining forest species growth, survival and productivity, and therefore one of the main limitations for reforestation or afforestation. The aim of this study is to characterize the drought response at the physiological and molecular level of different Pinus halepensis (common name Aleppo pine seed sources, previously characterized in field trials as drought-sensitive or drought-tolerant. This approach aims to identify different traits capable of predicting the ability of formerly uncharacterized seedlings to cope with drought stress. Gas-exchange, water potential, photosynthetic pigments, soluble sugars, free amino acids, glutathione and proteomic analyses were carried out on control and drought-stressed seedlings in greenhouse conditions. Gas-exchange determinations were also assessed in field-planted seedlings in order to validate the greenhouse experimental conditions. Drought-tolerant seed sources presented higher values of photosynthetic rates, water use efficiency, photosynthetic pigments and soluble carbohydrates concentrations. We observed the same pattern of variation of photosynthesis rate and maximal efficiency of PSII in field. Interestingly drought-tolerant seed sources exhibited increased levels of glutathione, methionine and cysteine. The proteomic profile of drought tolerant seedlings identified two heat shock proteins and an enzyme related to methionine biosynthesis that were not present in drought sensitive seedlings, pointing to the synthesis of sulfur amino acids as a limiting factor for drought tolerance in Pinus halepensis. Our results established physiological and molecular traits useful as distinctive markers to predict drought tolerance in Pinus halepensis provenances that could be reliably used in reforestation programs in drought prone areas.

Determinants of the accuracy of nursing diagnoses: influence of ready knowledge, knowledge sources, disposition toward critical thinking, and reasoning skills.

Science.gov (United States)

Paans, Wolter; Sermeus, Walter; Nieweg, Roos; van der Schans, Cees

2010-01-01

The purpose of this study was to determine how knowledge sources, ready knowledge, and disposition toward critical thinking and reasoning skills influence the accuracy of student nurses' diagnoses. A randomized controlled trial was conducted to determine the influence of knowledge sources. We used the following questionnaires: (a) knowledge inventory, (b) California Critical Thinking Disposition Inventory, and (c) Health Science Reasoning Test (HSRT). The use of knowledge sources had very little influence on the accuracy of nursing diagnoses. Accuracy was significantly related to the analysis domain of the HSRT. Students were unable to operationalize knowledge sources to derive accurate diagnoses and did not effectively use reasoning skills. Copyright 2010 Elsevier Inc. All rights reserved.

Food ordering for children in restaurants: multiple sources of influence on decision making

Science.gov (United States)

Castro, Iana A; Williams, Christine B; Madanat, Hala; Pickrel, Julie L; Jun, Hee-Jin; Zive, Michelle; Gahagan, Sheila; Ayala, Guadalupe X

2017-01-01

Objective Restaurants are playing an increasingly important role in children’s dietary intake. Interventions to promote healthy ordering in restaurants have primarily targeted adults. Much remains unknown about how to influence ordering for and by children. Using an ecological lens, the present study sought to identify sources of influence on ordering behaviour for and by children in restaurants. Design A mixed-methods study was conducted using unobtrusive observations of dining parties with children and post-order interviews. Observational data included: child’s gender, person ordering for the child and server interactions with the dining party. Interview data included: child’s age, restaurant visit frequency, timing of child’s decision making, and factors influencing decision making. Setting Ten independent, table-service restaurants in San Diego, CA, USA participated. Subjects Complete observational and interview data were obtained from 102 dining parties with 150 children (aged 3–14 years). Results Taste preferences, family influences and menus impacted ordering. However, most children knew what they intended to order before arriving at the restaurant, especially if they dined there at least monthly. Furthermore, about one-third of children shared their meals with others and all shared meals were ordered from adult (v. children’s) menus. Parents placed most orders, although parental involvement in ordering was less frequent with older children. Servers interacted frequently with children but generally did not recommend menu items or prompt use of the children’s menu. Conclusions Interventions to promote healthy ordering should consider the multiple sources of influence that are operating when ordering for and by children in restaurants. PMID:27334904

DETERMINANTS OF THE ACCURACY OF NURSING DIAGNOSES : INFLUENCE OF READY KNOWLEDGE, KNOWLEDGE SOURCES, DISPOSITION TOWARD CRITICAL THINKING, AND REASONING SKILLS

NARCIS (Netherlands)

Paans, Wolter; Sermeus, Walter; Nieweg, Roos; Van der Schans, Cees

2010-01-01

The purpose of this study was to determine how knowledge sources, ready knowledge, and disposition toward critical thinking and reasoning skills influence the accuracy of student nurses' diagnoses. A randomized controlled trial was conducted to determine the influence of knowledge sources. We used

Determinants of the accuracy of nursing diagnoses : influence of ready knowledge, knowledge sources, disposition toward critical thinking, and reasoning skills

NARCIS (Netherlands)

Paans, Wolter; Sermeus, Walter; Nieweg, Roos; van der Schans, Cees

2010-01-01

The purpose of this study was to determine how knowledge sources, ready knowledge, and disposition toward critical thinking and reasoning skills influence the accuracy of student nurses' diagnoses. A randomized controlled trial was conducted to determine the influence of knowledge sources. We used

Drought Tolerance in Pinus halepensis Seed Sources As Identified by Distinctive Physiological and Molecular Markers

OpenAIRE

Taïbi, Khaled; Campo, Antonio D. del; Vilagrosa Carmona, Alberto; Bellés, José M.; López-Gresa, María Pilar; Pla, Davinia; Calvete, Juan J.; López-Nicolás, José M.; Mulet, José M.

2017-01-01

Drought is one of the main constraints determining forest species growth, survival and productivity, and therefore one of the main limitations for reforestation or afforestation. The aim of this study is to characterize the drought response at the physiological and molecular level of different Pinus halepensis (common name Aleppo pine) seed sources, previously characterized in field trials as drought-sensitive or drought-tolerant. This approach aims to identify different traits capable of pre...

Influence of transport from urban sources and domestic biomass combustion on the air quality of a mountain area.

Science.gov (United States)

Petracchini, Francesco; Romagnoli, Paola; Paciucci, Lucia; Vichi, Francesca; Imperiali, Andrea; Paolini, Valerio; Liotta, Flavia; Cecinato, Angelo

2017-02-01

The environmental influence of biomass burning for civil uses was investigated through the determination of several air toxicants in the town of Leonessa and its surroundings, in the mountain region of central Italy. Attention was focussed on PM 10 , polycyclic aromatic hydrocarbons (PAHs) and regulated gaseous pollutants (nitrogen dioxide, ozone and benzene). Two in-field campaigns were carried out during the summer 2012 and the winter 2013. Contemporarily, air quality was monitored in Rome and other localities of Lazio region. In the summer, all pollutants, with the exception of ozone, were more abundant in Rome. On the other hand, in the winter, PAH concentration was higher in Leonessa (15.8 vs. 7.0 ng/m 3 ), while PM 10 was less concentrated (22 vs. 34 μg/m 3 ). Due to lack of other important sources and to limited impact of vehicle traffic, biomass burning was identified as the major PAH source in Leonessa during the winter. This hypothesis was confirmed by PAH molecular signature of PM 10 (i.e. concentration diagnostic ratios and 206 ion mass trace in the chromatograms). A similar phenomenon (i.e. airborne particulate levels similar to those of the capital city but higher PAH loads) was observed in other locations of the province, suggesting that uncontrolled biomass burning contributed to pollution across the Rome metropolitan area.

The influence of different nitrogen and carbon sources on mycotoxin production in Alternaria alternata.

Science.gov (United States)

Brzonkalik, Katrin; Herrling, Tanja; Syldatk, Christoph; Neumann, Anke

2011-05-27

The aim of this study was to determine the influence of different carbon and nitrogen sources on the production of the mycotoxins alternariol (AOH), alternariol monomethyl ether (AME) and tenuazonic acid (TA) by Alternaria alternata at 28°C using a semi-synthetic medium (modified Czapek-Dox broth) supplemented with nitrogen and carbon sources. Additionally the effect of shaken and static cultivation on mycotoxin production was tested. Initial experiments showed a clear dependency between nitrogen depletion and mycotoxin production. To assess whether nitrogen limitation in general or the type of nitrogen source triggers the production, various nitrogen sources including several ammonium/nitrate salts and amino acids were tested. In static culture the production of AOH/AME can be enhanced greatly with phenylalanine whereas some nitrogen sources seem to inhibit the AOH/AME production completely. TA was not significantly affected by the choice of nitrogen source. In shaken culture the overall production of all mycotoxins was lower compared to static cultivation. Furthermore tests with a wide variety of carbon sources including monosaccharides, disaccharides, complex saccharides such as starch as well as glycerol and acetate were performed. In shaken culture AOH was produced when glucose, fructose, sucrose, acetate or mixtures of glucose/sucrose and glucose/acetate were used as carbon sources. AME production was not detected. The use of sodium acetate resulted in the highest AOH production. In static culture AOH production was also stimulated by acetate and the amount is comparable to shaken conditions. Under static conditions production of AOH was lower except when cultivated with acetate. In static cultivation 9 of 14 tested carbon sources induced mycotoxin production compared to 4 in shaken culture. This is the first study which analyses the influence of carbon and nitrogen sources in a semi-synthetic medium and assesses the effects of culture conditions on

Electric power supply and the influence of changes on renewable sources' utilisation and energy efficiency

International Nuclear Information System (INIS)

Kurek, J.

2000-01-01

Changes expected to occur at the electricity market min the Republic of Croatia will have a considerable influence on the development of renewable sources and on the interest in the rationalisation of electricity consumption. If this area and its significance within the total, not only energy-related but also social relations, is stimulated by the law, the influence will be a positive one. Post-liberalisation experience of developed European countries presented in this paper implies arising problems, which can be partly avoided by means of anticipated legislative alternations. Special attention is paid to the possibility of introducing additional work places through a new market approachz, renewable sources' utilisation and consumption rationalisation. (author)

Assessing comparative terrestrial ecotoxicity of Cd, Co, Cu, Ni, Pb, and Zn: The influence of aging and emission source

International Nuclear Information System (INIS)

Owsianiak, Mikołaj; Holm, Peter E.; Fantke, Peter; Christiansen, Karen S.; Borggaard, Ole K.; Hauschild, Michael Z.

2015-01-01

Metal exposure to terrestrial organisms is influenced by the reactivity of the solid-phase metal pool. This reactivity is thought to depend on the type of emission source, on aging mechanisms that are active in the soil, and on ambient conditions. Our work shows, that when controlling for soil pH or soil organic carbon, emission source occasionally has an effect on reactivity of Cd, Co, Cu, Ni, Pb and Zn emitted from various anthropogenic sources followed by aging in the soil from a few years to two centuries. The uncertainties in estimating the age prevent definitive conclusions about the influence of aging time on the reactivity of metals from anthropogenic sources in soils. Thus, for calculating comparative toxicity potentials of man-made metal contaminations in soils, we recommend using time-horizon independent accessibility factors derived from source-specific reactive fractions. - Highlights: • We found an effect of source on reactivity of anthropogenic metals in soils. • The influence of aging on reactivity of anthropogenic metals was not consistent. • We recommend including source and disregarding aging in calculation of CTPs values. - Improving current life cycle inventory (LCI) and life cycle impact assessment (LCIA) practice in terrestrial ecotoxicity assessment of metals.

The Influence of Single Nucleotide Polymorphism Microarray-Based Molecular Karyotype on Preimplantation Embryonic Development Potential.

Directory of Open Access Journals (Sweden)

Gang Li

Full Text Available In order to investigate the influence of the molecular karyotype based on single nucleotide polymorphism (SNP microarray on embryonic development potential in preimplantation genetic diagnosis (PGD, we retrospectively analyzed the clinical data generated by PGD using embryos retrieved from parents with chromosome rearrangements in our center. In total, 929 embryos from 119 couples had exact diagnosis and development status. The blastocyst formation rate of balanced molecular karyotype embryos was 56.6% (276/488, which was significantly higher than that of genetic imbalanced embryos 24.5% (108/441 (P35 respectively. Blastocyst formation rates of male and female embryos were 44.5% (183/411 and 38.8% (201/518 respectively, with no significant difference between them (P>0.05. The rates of balanced molecular karyotype embryos vary from groups of embryos with different cell numbers at 68 hours after insemination. The blastocyst formation rate of embryos with 6-8 cells (48.1% was significantly higher than that of embryos with 8 cells (42.9% (P8 cells, embryos with 6-8 blastomeres have higher rate of balanced molecular karyotype and blastocyst formation.

Molecular Ionization-Desorption Analysis Source (MIDAS) for Mass Spectrometry: Thin-Layer Chromatography

Science.gov (United States)

Winter, Gregory T.; Wilhide, Joshua A.; LaCourse, William R.

2016-02-01

Molecular ionization-desorption analysis source (MIDAS), which is a desorption atmospheric pressure chemical ionization (DAPCI) type source, for mass spectrometry has been developed as a multi-functional platform for the direct sampling of surfaces. In this article, its utility for the analysis of thin-layer chromatography (TLC) plates is highlighted. Amino acids, which are difficult to visualize without staining reagents or charring, were detected and identified directly from a TLC plate. To demonstrate the full potential of MIDAS, all active ingredients from an analgesic tablet, separated on a TLC plate, were successfully detected using both positive and negative ion modes. The identity of each of the compounds was confirmed from their mass spectra and compared against standards. Post separation, the chemical signal (blue permanent marker) as reference marks placed at the origin and solvent front were used to calculate retention factor (Rf) values from the resulting ion chromatogram. The quantitative capabilities of the device were exhibited by scanning caffeine spots on a TLC plate of increasing sample amount. A linear curve based on peak are, R2 = 0.994, was generated for seven spots ranging from 50 to 1000 ng of caffeine per spot.

Influence of the interatomic potentials on molecular dynamics simulations of displacement cascades

CERN Document Server

Becquart, C S; Legris, A; Van Duysen, J C

2000-01-01

Molecular dynamics (MD) is a powerful tool to study the displacement cascades initiated by the neutrons when they interact with matter. Key components of this technique are the interatomic potentials which model the binding of the different constitutive atoms. There exist many interatomic potentials dedicated to alpha-Fe and we have tested three of them for the study of radiation damage. We have found that the primary damage is potential sensitive. From our study, it appears that some characteristics of the potentials, not always considered, can be correlated to the type of damage produced by displacement cascades. The repulsive part of the potential has a strong influence on the cascade morphology. Moreover, equilibrium properties such as the atoms mean square displacements, the vacancy migration and vacancy-vacancy binding energies also appear to have some influence and should be investigated carefully when simulating radiation damage. It is therefore very important to use extreme care when trying to obtain...

Understanding the influence of buckwheat bran on wheat dough baking performance: Mechanistic insights from molecular and material science approaches.

Science.gov (United States)

Zanoletti, Miriam; Marti, Alessandra; Marengo, Mauro; Iametti, Stefania; Pagani, M Ambrogina; Renzetti, Stefano

2017-12-01

A molecular and material science approach is used to describe the influence of coarse and fine buckwheat bran on wheat dough properties and bread textural quality. Focus is given on (i) gluten solvation and structural arrangements in presence of bran as studied by front-face fluorescence; (ii) thermo-mechanical behavior of dough during heating studied by dynamic mechanical thermal analysis and (iii) texture of bread crumb analyzed in terms of a cellular solid. The thermo-mechanical behavior of dough was found to be largely related to starch phase transitions during heating. The use of thermodynamic approaches to biopolymer melting revealed that key transitions such as the onset of starch gelatinization were function of the interplay of water and bran volume fractions in the dough. Front-face fluorescence studies in wheat dough revealed that gluten solvation and structural arrangements were delayed by increasing bran addition level and reduction in particle size, as indicated by the drastic decrease in the protein surface hydrophobicity index. Variations in gluten structure could be strongly related to dough baking performance, i.e. specific volume. With regards to texture, the approach revealed that crumb texture was controlled by variations in density, moisture and bran volume fractions. Overall, this study elucidates a number of physical mechanisms describing the influence of buckwheat bran addition to dough and bread quality. These mechanisms strongly pointed at the influence of bran on water partitioning among the main polymeric components. In the future, these mechanisms should be investigated with bran material of varying source, composition and structure. Copyright © 2017 Elsevier Ltd. All rights reserved.

Crossed molecular beams

International Nuclear Information System (INIS)

Lee, Y.T.

1976-01-01

Research activities with crossed molecular beams at Lawrence Berkeley Laboratory during 1976 are described. Topics covered include: scattering of Ar*, Kr*, with Xe; metastable rare gas interactions, He* + H 2 ; an atomic and molecular halogen beam source; a crossed molecular beam study of the Cl + Br 2 → BrCl + Br reaction; O( 3 P) reaction dynamics, development of the high pressure plasma beam source; energy randomization in the Cl + C 2 H 3 Br → Br + C 2 H 3 Cl reaction; high resolution photoionization studies of NO and ICl; photoionization of (H 2 O)/sub n/ and (NH 3 ) 2 ; photoionization mass spectroscopy of NH 3 + and O 3 + ; photo fragmentation of bromine; and construction of chemiluminescence-laser fluorescence crossed molecular beam machine

Specific factors influencing information system/information and communication technology sourcing strategies in healthcare facilities.

Science.gov (United States)

Potančok, Martin; Voříšek, Jiří

2016-09-01

Healthcare facilities use a number of information system/information and communication technologies. Each healthcare facility faces a need to choose sourcing strategies most suitable to ensure provision of information system/information and communication technology services, processes and resources. Currently, it is possible to observe an expansion of sourcing possibilities in healthcare informatics, which creates new requirements for sourcing strategies. Thus, the aim of this article is to identify factors influencing information system/information and communication technology sourcing strategies in healthcare facilities. The identification was based on qualitative research, namely, a case study. This study provides a set of internal and external factors with their impact levels. The findings also show that not enough attention is paid to these factors during decision-making. © The Author(s) 2015.

Source apportionment of organic pollutants of a highway-traffic-influenced urban area in Bayreuth (Germany) using biomarker and stable carbon isotope signatures.

Science.gov (United States)

Glaser, Bruno; Dreyer, Annekatrin; Bock, Michael; Fiedler, Stefan; Mehring, Marion; Heitmann, Tobias

2005-06-01

Traffic- and urban-influenced areas are prone to enhanced pollution with products of incomplete combustion of fossil fuels and biomass such as black carbon or polycyclic aromatic hydrocarbons (PAHs). Black carbon is composed of aromatic and graphitic structures and may act as a carrier for pollutants such as PAHs and heavy metals. However, little is known about possible contributions of traffic-derived black carbon to the black carbon inventory in soils. Similar uncertainties exist regarding the contribution of different pollutant sources to total PAH and black carbon contents. Therefore, the objective of this study was to quantify the importance of traffic pollution to black carbon and PAH inventories in soils. PAH contamination of soils adjacent to a major German highway in the urban area of Bayreuth with about 50,000 vehicles per day was in the same order of magnitude compared to highway-close soils reported in other studies. Using molecular (black carbon and PAHs) and compound-specific stable carbon isotope evidence (PAHs) it was demonstrated that this contamination originated not only from automobile exhausts, here primarily diesel, but also from tire abrasion and tailpipe soot which significantly contributed to the traffic-caused black carbon and PAH contamination. Low molecular weight PAHs were more widely transported than their heavy molecular counterparts (local distillation), whereas highway-traffic-caused black carbon contamination was distributed to at least 30 m from the highway. On the other hand, urban fire exhausts were distributed more homogeneously among the urban area.

Molecular Approaches to Understanding Transmission and Source Attribution in Nontyphoidal Salmonella and Their Application in Africa.

Science.gov (United States)

Mather, Alison E; Vaughan, Timothy G; French, Nigel P

2015-11-01

Nontyphoidal Salmonella (NTS) is a frequent cause of diarrhea around the world, yet in many African countries it is more commonly associated with invasive bacterial disease. Various source attribution models have been developed that utilize microbial subtyping data to assign cases of human NTS infection to different animal populations and foods of animal origin. Advances in molecular microbial subtyping approaches, in particular whole-genome sequencing, provide higher resolution data with which to investigate these sources. In this review, we provide updates on the source attribution models developed for Salmonella, and examine the application of whole-genome sequencing data combined with evolutionary modeling to investigate the putative sources and transmission pathways of NTS, with a focus on the epidemiology of NTS in Africa. This is essential information to decide where, what, and how control strategies might be applied most effectively. © The Author 2015. Published by Oxford University Press on behalf of the Infectious Diseases Society of America. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Background gas density and beam losses in NIO1 beam source

Energy Technology Data Exchange (ETDEWEB)

Sartori, E., E-mail: emanuele.sartori@igi.cnr.it; Veltri, P.; Serianni, G. [Consorzio RFX (CNR, ENEA, INFN, Università di Padova, Acciaierie Venete SpA), C.so Stati Uniti 4, 35127 Padova (Italy); Cavenago, M. [INFN-LNL, v.le dell’Università 2, I-35020 Legnaro (PD) (Italy)

2016-02-15

NIO1 (Negative Ion Optimization 1) is a versatile ion source designed to study the physics of production and acceleration of H- beams up to 60 keV. In ion sources, the gas is steadily injected in the plasma source to sustain the discharge, while high vacuum is maintained by a dedicated pumping system located in the vessel. In this paper, the three dimensional gas flow in NIO1 is studied in the molecular flow regime by the Avocado code. The analysis of the gas density profile along the accelerator considers the influence of effective gas temperature in the source, of the gas temperature accommodation by collisions at walls, and of the gas particle mass. The calculated source and vessel pressures are compared with experimental measurements in NIO1 during steady gas injection.

Molecular assays for targeting human and bovine enteric viruses in coastal waters and their application for library-independent source tracking

Science.gov (United States)

Fong, T.-T.; Griffin, Dale W.; Lipp, E.K.

2005-01-01

Rapid population growth and urban development along waterways and coastal areas have led to decreasing water quality. To examine the effects of upstream anthropogenic activities on microbiological water quality, methods for source-specific testing are required. In this study, molecular assays targeting human enteroviruses (HEV), bovine enteroviruses (BEV), and human adenoviruses (HAdV) were developed and used to identify major sources of fecal contamination in the lower Altamaha River, Georgia. Two-liter grab samples were collected monthly from five tidally influenced stations between July and December 2002. Samples were analyzed by reverse transcription- and nested-PCR. PCR results were confirmed by dot blot hybridization. Eleven and 17 of the 30 surface water samples tested positive for HAdV and HEV, respectively. Two-thirds of the samples tested positive for either HEV or HAdV, and the viruses occurred simultaneously in 26% of samples. BEV were detected in 11 of 30 surface water samples. Binary logistic regression analysis showed that the presence of both human and bovine enteric viruses was not significantly related to either fecal coliform or total coliform levels. The presence of these viruses was directly related to dissolved oxygen and streamflow but inversely related to water temperature, rainfall in the 30 days preceding sampling, and chlorophyll-?? concentrations. The stringent host specificity of enteric viruses makes them good library-independent indicators for identification of water pollution sources. Viral pathogen detection by PCR is a highly sensitive and easy-to-use tool for rapid assessment of water quality and fecal contamination when public health risk characterization is not necessary. Copyright ?? 2005, American Society for Microbiology. All Rights Reserved.

Molecular line study of massive star-forming regions from the Red MSX Source survey

Science.gov (United States)

Yu, Naiping; Wang, Jun-Jie

2014-05-01

In this paper, we have selected a sample of massive star-forming regions from the Red MSX Source survey, in order to study star formation activities (mainly outflow and inflow signatures). We have focused on three molecular lines from the Millimeter Astronomy Legacy Team Survey at 90 GHz: HCO+(1-0), H13CO+(1-0) and SiO(2-1). According to previous observations, our sources can be divided into two groups: nine massive young stellar object candidates (radio-quiet) and 10 H II regions (which have spherical or unresolved radio emissions). Outflow activities have been found in 11 sources, while only three show inflow signatures in all. The high outflow detection rate means that outflows are common in massive star-forming regions. The inflow detection rate was relatively low. We suggest that this was because of the beam dilution of the telescope. All three inflow candidates have outflow(s). The outward radiation and thermal pressure from the central massive star(s) do not seem to be strong enough to halt accretion in G345.0034-00.2240. Our simple model of G318.9480-00.1969 shows that it has an infall velocity of about 1.8 km s-1. The spectral energy distribution analysis agrees our sources are massive and intermediate-massive star formation regions.

Quantification of the fluorine containing drug 5-fluorouracil in cancer cells by GaF molecular absorption via high-resolution continuum source molecular absorption spectrometry

Science.gov (United States)

Krüger, Magnus; Huang, Mao-Dong; Becker-Roß, Helmut; Florek, Stefan; Ott, Ingo; Gust, Ronald

The development of high-resolution continuum source molecular absorption spectrometry made the quantification of fluorine feasible by measuring the molecular absorption as gallium monofluoride (GaF). Using this new technique, we developed on the example of 5-fluorouracil (5-FU) a graphite furnace method to quantify fluorine in organic molecules. The effect of 5-FU on the generation of the diatomic GaF molecule was investigated. The experimental conditions such as gallium nitrate amount, temperature program, interfering anions (represented as corresponding acids) and calibration for the determination of 5-FU in standard solution and in cellular matrix samples were investigated and optimized. The sample matrix showed no effect on the sensitivity of GaF molecular absorption. A simple calibration curve using an inorganic sodium fluoride solution can conveniently be used for the calibration. The described method is sensitive and the achievable limit of detection is 0.23 ng of 5-FU. In order to establish the concept of "fluorine as a probe in medicinal chemistry" an exemplary application was selected, in which the developed method was successfully demonstrated by performing cellular uptake studies of the 5-FU in human colon carcinoma cells.

Submicron particulate organic matter in the urban atmosphere: a new method for real-time measurement, molecular-level characterization and source apportionment

Science.gov (United States)

Müller, Markus; Eichler, Philipp; D'Anna, Barbara; Tan, Wen; Wisthaler, Armin

2017-04-01

We used a novel chemical analytical method for measuring submicron particulate organic matter in the atmosphere of three European cities (Innsbruck, Lyon, Valencia). Proton-Transfer-Reaction Time-of-Flight Mass Spectrometry (PTR-ToF-MS) was used in combination with the "chemical analysis of aerosol online" (CHARON) inlet for detecting particulate organic compounds on-line (i.e. without filter pre-collection), in real-time (1-min time resolution), at ng m-3 concentrations, with molecular-level resolution (i.e. obtaining molecular weight and elemental composition information). The CHARON-PTR-ToF-MS system monitored molecular tracers associated with different particle sources including levoglucosan from biomass combustion, PAHs from vehicular traffic, nicotine from cigarette smoking, and monoterpene oxidation products secondarily formed from biogenic emissions. The tracer information was used for interpreting positive matrix factorization (PMF) data which allowed us to apportion the sources of submicron particulate organic matter in the different urban environments. This work was funded through the PIMMS ITN, which was supported by the European Commission's 7th Framework Programme under grant agreement number 287382.

Influence of iodine chemistry on source term assessment

International Nuclear Information System (INIS)

Herranz Puebla, L. E.; Lopez Diez, I.; Rodriguez Maroto, J. J.; Martinez Lopez-Alcorocho, A.

1991-01-01

The major goal of a phenomenology analysis of containment during a severe accident situation can be spitted into the following ones: to know the containment response to the different loads and to predict accurately the fission product and aerosol behavior. In this report, the main results coming from the study of a hypothetical accident scenario, based on LA-4 experiment of LACE project, are presented. In order to do it, several codes have been coupled: CONTEMPT4/MOD5 (thermohydraulics), NAUA/MOD5 (aerosol physics) and IODE (iodine chemistry). It has been demonstrated the impossibility of assessing with confidence the Source Term if the chemical conduct of some radionuclides is not taken into account. In particular, the influence on the iodine retention efficiency of the sump of variables such as pH has been proven. (Author)12 refs

Marine sources influence fog bioaerosol composition in Namibia and Maine

Science.gov (United States)

Evans, S. E.; Dueker, E.; Logan, J. R. V.; Weathers, K. C.

2017-12-01

Organic aerosol particles act as condensation nuclei for fogs and clouds (CCN) and are main determinants of fog evolution, chemical processing, and overall aerosol-fog-cloud interactions. Recent work has confirmed the presence of marine bioaerosols, but little is known about their sources, transport, taxonomic diversity or viability. The few studies that have characterized bioaerosols in fog have been limited to culture-based approaches that capture only a fraction of microbial diversity. We characterized fungal and bacterial communities in the fog in two iconic fog systems, the Coast of Maine (USA) and the Namib Desert (Namibia). The biology of fog in both systems was diverse and distinct, by geography, from dry aerosols, and from local sources. The local environment had a dominant influence on fog in both the Namib and Maine; in particular, the biology of fog in Maine, which was collected near the coast, was more similar to microbial communities from the ocean surface. In both systems, differences between pre- and post-fog aerosol communities suggest that fog events can significantly alter microbial aerosol diversity and composition. This insight into the microbial composition of fog indicates that its origin and frequency has the potential to influence the number and diversity of microorganisms that settle in a given environment, and the composition of microbial aerosol communities in ambient or clear conditions. Here we suggest that fog microbes can possess specific traits that enhance nucleation, altering the transport and deposition of marine- and soil-derived organic matter in terrestrial systems.

Influence of molecular packing and phospholipid type on rates of cholesterol exchange

International Nuclear Information System (INIS)

Lund-Katz, S.; Laboda, H.M.; McLean, L.R.; Phillips, M.C.

1988-01-01

The rates of [ 14 C]cholesterol transfer from small unilamellar vesicles containing cholesterol dissolved in bilayers of different phospholipids have been determined to examine the influence of phospholipid-cholesterol interactions on the rate of cholesterol desorption from the lipid-water interface. At 37 0 C, for vesicles containing 10 mol % cholesterol, the half-times for exchange are about 1, 13, and 80 h, respectively, for unsaturated PC, saturated PC, and SM. In order to probe how differences in molecular packing in the bilayers cause the rate constants for cholesterol desorption to be in the order unsaturated PC > saturated PC > SM, nuclear magnetic resonance (NMR) and monolayer methods were used to evaluate the cholesterol physical state and interactions with phospholipid. The NMR relaxation parameters for [4- 13 C] cholesterol reveal no differences in molecular dynamics in the above bilayers. The greater van der Waals interaction in the SM monolayer (or bilayer) compared to PC gives rise to a larger condensation by cholesterol. This is a direct demonstration of the greater interaction of cholesterol with SM compared to PC. An estimate of the van der Waals interactions between cholesterol and these phospholipids has been used to derive a relationship between the ratio of the rate constants for cholesterol desorption and the relative molecular areas (lateral packing density) in two bilayers. This analysis suggests that differences in cholesterol-phospholipid van der Waals interaction energy are an important cause of varying rates of cholesterol exchange from different host phospholipid bilayers

Kinetics of Low Temperature Polyester Dyeing with High Molecular Weight Disperse Dyes by Solvent Microemulsion and AgroSourced Auxiliaries

Directory of Open Access Journals (Sweden)

Shahram Radei

2018-02-01

Full Text Available This work focused on the evaluation of the kinetics of dyeing polyester fabrics with high molecular weight disperse dyes, at low temperature by solvent microemulsion. This study also compared the effect of two non-toxic agro-sourced auxiliaries (o-vanillin and coumarin using a non-toxic organic solvent. A dyeing bath consisting of a micro-emulsion system involving a small proportion of n-butyl acetate was used, and the kinetics of dyeing were analysed at four temperatures (83, 90, 95 and 100 °C. Moreover, the dyeing rate constants, correlation coefficient and activation energies were proposed for this system. It was found that o-vanillin yielded higher dye absorption levels than coumarin, leading to exhaustions of 88% and 87% for Disperse Red 167 and Disperse Blue 79, respectively. K/S values of dyed polyester were also found to be higher for dye baths containing o-vanillin with respect to the ones with coumarin. In terms of hot pressing fastness and wash fastness, generally no adverse influence on fastness properties was reported, while o-vanillin showed slightly better results compared to coumarin.

A ROTATING MOLECULAR DISK TOWARD IRAS 18162-2048, THE EXCITING SOURCE OF HH 80-81

International Nuclear Information System (INIS)

Fernandez-Lopez, M.; Curiel, S.; Girart, J. M.; Gomez, Y.; Ho, P. T. P.; Patel, N.

2011-01-01

We present several molecular line emission arcsecond and subarcsecond observations obtained with the Submillimeter Array in the direction of the massive protostar IRAS 18162-2048, the exciting source of HH 80-81. The data clearly indicate the presence of a compact (radius ∼425-850 AU) SO 2 structure, enveloping the more compact (radius ∼ sun . The SO 2 spectral line data also allow us to constrain the structure temperature between 120 and 160 K and the volume density ∼> 2 x 10 9 cm -3 . We also find that such a rotating flattened system could be unstable due to gravitational disturbances. The data from C 17 O line emission show a dense core within this star-forming region. Additionally, the H 2 CO and SO emissions appear clumpy and trace the disk-like structure, a possible interaction between a molecular core and the outflows, and in part, the cavity walls excavated by the thermal radio jet.

Quantification of the fluorine containing drug 5-fluorouracil in cancer cells by GaF molecular absorption via high-resolution continuum source molecular absorption spectrometry

International Nuclear Information System (INIS)

Krüger, Magnus; Huang, Mao-Dong; Becker-Roß, Helmut; Florek, Stefan; Ott, Ingo; Gust, Ronald

2012-01-01

The development of high-resolution continuum source molecular absorption spectrometry made the quantification of fluorine feasible by measuring the molecular absorption as gallium monofluoride (GaF). Using this new technique, we developed on the example of 5-fluorouracil (5-FU) a graphite furnace method to quantify fluorine in organic molecules. The effect of 5-FU on the generation of the diatomic GaF molecule was investigated. The experimental conditions such as gallium nitrate amount, temperature program, interfering anions (represented as corresponding acids) and calibration for the determination of 5-FU in standard solution and in cellular matrix samples were investigated and optimized. The sample matrix showed no effect on the sensitivity of GaF molecular absorption. A simple calibration curve using an inorganic sodium fluoride solution can conveniently be used for the calibration. The described method is sensitive and the achievable limit of detection is 0.23 ng of 5-FU. In order to establish the concept of “fluorine as a probe in medicinal chemistry” an exemplary application was selected, in which the developed method was successfully demonstrated by performing cellular uptake studies of the 5-FU in human colon carcinoma cells. - Highlights: ► Development of HR-CS MAS for quantification of fluorine bound to organic molecules ► Measuring as molecular absorption of gallium monofluoride ► Quantification of organic-bound fluorine in biological material ► The concept of “fluorine as a probe in medicinal chemistry” could be established

Parametrics for Molecular Deuterium Concentrations in the Source Region of the UW-IEC Device Using an Ion Acoustic Wave Diagnostic

Science.gov (United States)

Boris, D. R.; Emmert, G. A.

2007-11-01

The ion source region of the UW-Inertial Electrostatic Confinement device is comprised of a filament assisted DC discharge plasma that exists between the wall of the IEC vacuum chamber and the grounded spherical steel grid that makes up the anode of the IEC device. A 0-dimensional rate equation calculation of the molecular deuterium ion species concentration has been applied utilizing varying primary electron energy, and neutral gas pressure. By propagating ion acoustic waves in the source region of the IEC device the concentrations of molecular deuterium ion species have been determined for these varying plasma conditions, and high D3^+ concentrations have been verified. This was done by utilizing the multi-species ion acoustic wave dispersion relation, which relates the phase speed of the multi-species ion acoustic wave, vph, to the sum in quadrature of the concentration weighted ion acoustic sound speeds of the individual ion species.

Influence of reactive gas admixture on transition metal cluster nucleation in a gas aggregation cluster source

Science.gov (United States)

Peter, Tilo; Polonskyi, Oleksandr; Gojdka, Björn; Mohammad Ahadi, Amir; Strunskus, Thomas; Zaporojtchenko, Vladimir; Biederman, Hynek; Faupel, Franz

2012-12-01

We quantitatively assessed the influence of reactive gases on the formation processes of transition metal clusters in a gas aggregation cluster source. A cluster source based on a 2 in. magnetron is used to study the production rate of titanium and cobalt clusters. Argon served as working gas for the DC magnetron discharge, and a small amount of reactive gas (oxygen and nitrogen) is added to promote reactive cluster formation. We found that the cluster production rate depends strongly on the reactive gas concentration for very small amounts of reactive gas (less than 0.1% of total working gas), and no cluster formation takes place in the absence of reactive species. The influence of discharge power, reactive gas concentration, and working gas pressure are investigated using a quartz micro balance in a time resolved manner. The strong influence of reactive gas is explained by a more efficient formation of nucleation seeds for metal-oxide or nitride than for pure metal.

The Influence of Peer Reviews on Source Credibility and Purchase Intention

OpenAIRE

Nowak, Kristine; McGloin, Rory

2014-01-01

Electronic Word of Mouth (eWOM) is information shared on the Internet about a product, which allows people to receive information from others they may not otherwise encounter. Online product reviews are a type of eWOM where a user posts a comment about a product and selects an image to represent the self. The perception of the image and the text in the product review can influence source credibility and the perception of the product, as well as the likelihood that someone will purchase the pr...

Breast Conservation Therapy: The Influence of Molecular Subtype and Margins

International Nuclear Information System (INIS)

Demirci, Senem; Broadwater, Gloria; Marks, Lawrence B.; Clough, Robert; Prosnitz, Leonard R.

2012-01-01

patients irrespective of molecular subtype. Negative margins of excision are desirable, but the width of the negative margin does not influence outcome.

Breast Conservation Therapy: The Influence of Molecular Subtype and Margins

Energy Technology Data Exchange (ETDEWEB)

Demirci, Senem, E-mail: senem.demirci@ege.edu.tr [Department of Radiation Oncology, Duke University Medical Center, Durham, NC (United States); Department of Radiation Oncology, Ege University Faculty of Medicine, Izmir (Turkey); Broadwater, Gloria [Department of Biostatistics and Bioinformatics, Duke Cancer Institute, Durham, NC (United States); Cancer and Leukemia Group B Statistical Center, Duke Cancer Institute, Durham, NC (United States); Marks, Lawrence B. [Department of Radiation Oncology, University of North Carolina School of Medicine, Chapel Hill, NC (United States); Clough, Robert; Prosnitz, Leonard R. [Department of Radiation Oncology, Duke University Medical Center, Durham, NC (United States)

2012-07-01

patients irrespective of molecular subtype. Negative margins of excision are desirable, but the width of the negative margin does not influence outcome.

Using rapid diagnostic tests as source of malaria parasite DNA for molecular analyses in the era of declining malaria prevalence

DEFF Research Database (Denmark)

Ishengoma, Deus S; Lwitiho, Sudi; Madebe, Rashid A

2011-01-01

was conducted to examine if sufficient DNA could be successfully extracted from malaria rapid diagnostic tests (RDTs), used and collected as part of routine case management services in health facilities, and thus forming the basis for molecular analyses, surveillance and quality control (QC) testing of RDTs....... continued molecular surveillance of malaria parasites is important to early identify emerging anti-malarial drug resistance, it is becoming increasingly difficult to obtain parasite samples from ongoing studies, such as routine drug efficacy trials. To explore other sources of parasite DNA, this study...

[The source and factors that influence tracheal pulse oximetry signal].

Science.gov (United States)

Fan, Xiao-hua; Wei, Wei; Wang, Jian; Mu, Ling; Wang, Li

2010-03-01

To investigate the source and factors that influence tracheal pulse oximetry signal. The adult mongrel dog was intubated after anesthesia. The tracheal tube was modified by attaching a disposable pediatric pulse oximeter to the cuff. The chest of the dog was cut open and a red light from the tracheal oximeter was aligned with the deeper artery. The changes in tracheal pulse oxygen saturation (SptO2) signal were observed after the deeper artery was blocked temporarily. The photoplethysmography (PPG) and readings were recorded at different intracuff pressures. The influence of mechanical ventilation on the signal was also tested and compared with pulse oxygen saturation (SpO2). The SptO2 signal disappeared after deeper artery was blocked. The SptO2 signal changed with different intracuff pressures (P signal appeared under 20-60 cm H2O of intracuff pressure than under 0-10 cm H2O of intracuff pressure(P signal under a condition with mechanical ventilation differed from that without mechanical ventilation (P signal is primarily derived from deeper arteries around the trachea, not from the tracheal wall. Both intracuff pressures and mechanical ventilation can influence SptO2 signal. The SptO2 signal under 20-60 cm H2O of intracuff pressure is stronger than that under 0-10 em H2O of intracuff pressure. Mechanical ventilation mainly changes PPG.

Linking the Molecular Signature of Heteroatomic Dissolved Organic Matter to Watershed Characteristics in World Rivers.

Science.gov (United States)

Wagner, Sasha; Riedel, Thomas; Niggemann, Jutta; Vähätalo, Anssi V; Dittmar, Thorsten; Jaffé, Rudolf

2015-12-01

Large world rivers are significant sources of dissolved organic matter (DOM) to the oceans. Watershed geomorphology and land use can drive the quality and reactivity of DOM. Determining the molecular composition of riverine DOM is essential for understanding its source, mobility and fate across landscapes. In this study, DOM from the main stem of 10 global rivers covering a wide climatic range and land use features was molecularly characterized via ultrahigh-resolution Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR-MS). FT-ICR mass spectral data revealed an overall similarity in molecular components among the rivers. However, when focusing specifically on the contribution of nonoxygen heteroatomic molecular formulas (CHON, CHOS, CHOP, etc.) to the bulk molecular signature, patterns relating DOM composition and watershed land use became apparent. Greater abundances of N- and S-containing molecular formulas were identified as unique to rivers influenced by anthropogenic inputs, whereas rivers with primarily forested watersheds had DOM signatures relatively depleted in heteroatomic content. A strong correlation between cropland cover and dissolved black nitrogen was established when focusing specifically on the pyrogenic class of compounds. This study demonstrated how changes in land use directly affect downstream DOM quality and could impact C and nutrient cycling on a global scale.

Molecular beam epitaxy growth of niobium oxides by solid/liquid state oxygen source and lithium assisted metal-halide chemistry

Science.gov (United States)

Tellekamp, M. Brooks; Greenlee, Jordan D.; Shank, Joshua C.; Doolittle, W. Alan

2015-09-01

In order to consistently grow high quality niobium oxides and lithium niobium oxides, a novel solid/liquid state oxygen source, LiClO4, has been implemented in a molecular beam epitaxy (MBE) system. LiClO4 is shown to decompose into both molecular and atomic oxygen upon heating. This allows oxidation rates similar to that of molecular oxygen but at a reduced overall beam flux, quantified by in situ Auger analysis. LiClO4 operation is decomposition limited to less than 400 °C, and other material limitations are identified. The design of a custom near-ambient NbCl5 effusion cell is presented, which improves both short and long term stability. Films of Nb oxidation state +2, +3, and +5 are grown using these new tools, including the multi-functional sub-oxide LiNbO2.

The influence of nitrogen sources on the alpha-amylase productivity of Aspergillus oryzae in continuous cultures

DEFF Research Database (Denmark)

Pedersen, Henrik; Nielsen, Jens

2000-01-01

The influence of the nitrogen source on the cc-amylase productivity of Aspergillus oryzae was quantified in continuous cultivations. Both inorganic and complex nitrogen sources were investigated and glucose was used as the carbon and energy sources. For production of alpha-amylase, nitrate...... in the cc-amylase productivity. The higher alpha-amylase productivity during growth on casein hydrolysate was not caused by increased transcription of the alpha-amylase genes but was caused by a faster secretion of alpha-amylase or by a lower binding of alpha-amylase to the biomass....

Investigating the relative influences of molecular dimensions and binding energies on diffusivities of guest species inside nanoporous crystalline materials

NARCIS (Netherlands)

Krishna, R.; van Baten, J.M.

2012-01-01

The primary objective of this article is to investigate the relative influences of molecular dimensions and adsorption binding energies on unary diffusivities of guest species inside nanoporous crystalline materials such as zeolites and metal-organic frameworks (MOFs). The investigations are based

The influence of small dose radiation on some molecular and genetic parameters of peripheral blood lymphocytes

International Nuclear Information System (INIS)

Mel'nov, S.B.; Morozik, P.M.

2001-01-01

About 70% of Chernobyl radionuclide fallout was spread on the territory of Belarus. As a result, 2,5 million people now are living in contaminated areas under the pressure of the additional influence of low dose radiation. The aim of the current research is to definite the effects of this factor on some molecular and genetic characteristics of the children - prominent residents of the contaminated areas

Influence of the Molecular Adhesion Force on the Indentation Depth of a Particle into the Wafer Surface in the CMP Process

Directory of Open Access Journals (Sweden)

Zhou Jianhua

2014-01-01

Full Text Available By theoretical calculation, the external force on the particle conveyed by pad asperities and the molecular adhesion force between particle and wafer are compared and analyzed quantitatively. It is confirmed that the molecular adhesion force between particle and wafer has a great influence on the chemical mechanical polishing (CMP material removal process. Considering the molecular adhesion force between particle and wafer, a more precise model for the indentation of a particle into the wafer surface is developed in this paper, and the new model is compared with the former model which neglected the molecular adhesion force. Through theoretical analyses, an approach and corresponding critical values are applied to estimate whether the molecular adhesion force in CMP can be neglected. These methods can improve the precision of the material removal model of CMP.

Quantification of the fluorine containing drug 5-fluorouracil in cancer cells by GaF molecular absorption via high-resolution continuum source molecular absorption spectrometry

Energy Technology Data Exchange (ETDEWEB)

Krueger, Magnus [Freie Universitaet Berlin, Institut fuer Pharmazie, Pharmazeutische Chemie, Koenigin-Luise-Str. 2-4, 14195 Berlin (Germany); Huang, Mao-Dong; Becker-Ross, Helmut; Florek, Stefan [Leibniz Institut fuer Analytische Wissenschaften, ISAS-e.V., Department Berlin, Albert-Einstein-Str. 9, 12489 Berlin (Germany); Ott, Ingo [Technische Universitaet Carolo Wilhelmina zu Braunschweig, Institut fuer Medizinische und Pharmazeutische Chemie, Beethovenstr. 55, 38106 Braunschweig (Germany); Gust, Ronald, E-mail: ronald.gust@uibk.ac.at [Universitaet Innsbruck, Institut fuer Pharmazie, Pharmazeutische Chemie, Innrain 80/82, 6020 Innsbruck (Austria)

2012-03-15

The development of high-resolution continuum source molecular absorption spectrometry made the quantification of fluorine feasible by measuring the molecular absorption as gallium monofluoride (GaF). Using this new technique, we developed on the example of 5-fluorouracil (5-FU) a graphite furnace method to quantify fluorine in organic molecules. The effect of 5-FU on the generation of the diatomic GaF molecule was investigated. The experimental conditions such as gallium nitrate amount, temperature program, interfering anions (represented as corresponding acids) and calibration for the determination of 5-FU in standard solution and in cellular matrix samples were investigated and optimized. The sample matrix showed no effect on the sensitivity of GaF molecular absorption. A simple calibration curve using an inorganic sodium fluoride solution can conveniently be used for the calibration. The described method is sensitive and the achievable limit of detection is 0.23 ng of 5-FU. In order to establish the concept of 'fluorine as a probe in medicinal chemistry' an exemplary application was selected, in which the developed method was successfully demonstrated by performing cellular uptake studies of the 5-FU in human colon carcinoma cells. - Highlights: Black-Right-Pointing-Pointer Development of HR-CS MAS for quantification of fluorine bound to organic molecules Black-Right-Pointing-Pointer Measuring as molecular absorption of gallium monofluoride Black-Right-Pointing-Pointer Quantification of organic-bound fluorine in biological material Black-Right-Pointing-Pointer The concept of 'fluorine as a probe in medicinal chemistry' could be established.

Identifying (subsurface) anthropogenic heat sources that influence temperature in the drinking water distribution system

Science.gov (United States)

Agudelo-Vera, Claudia M.; Blokker, Mirjam; de Kater, Henk; Lafort, Rob

2017-09-01

The water temperature in the drinking water distribution system and at customers' taps approaches the surrounding soil temperature at a depth of 1 m. Water temperature is an important determinant of water quality. In the Netherlands drinking water is distributed without additional residual disinfectant and the temperature of drinking water at customers' taps is not allowed to exceed 25 °C. In recent decades, the urban (sub)surface has been getting more occupied by various types of infrastructures, and some of these can be heat sources. Only recently have the anthropogenic sources and their influence on the underground been studied on coarse spatial scales. Little is known about the urban shallow underground heat profile on small spatial scales, of the order of 10 m × 10 m. Routine water quality samples at the tap in urban areas have shown up locations - so-called hotspots - in the city, with relatively high soil temperatures - up to 7 °C warmer - compared to the soil temperatures in the surrounding rural areas. Yet the sources and the locations of these hotspots have not been identified. It is expected that with climate change during a warm summer the soil temperature in the hotspots can be above 25 °C. The objective of this paper is to find a method to identify heat sources and urban characteristics that locally influence the soil temperature. The proposed method combines mapping of urban anthropogenic heat sources, retrospective modelling of the soil temperature, analysis of water temperature measurements at the tap, and extensive soil temperature measurements. This approach provided insight into the typical range of the variation of the urban soil temperature, and it is a first step to identifying areas with potential underground heat stress towards thermal underground management in cities.

Characterization of the atmospheric pollution level in Sfax (Tunisia): influence of sources and meteorological factors; Caracterisation du niveau de pollution atmospherique dans la ville de Sfax (Tunisie): influence des sources et des facteurs meteorologiques

Energy Technology Data Exchange (ETDEWEB)

Azri, Ch.; Maalej, A.; Medhioub, K. [Ecole Nationale d' ingenieurs de Sfax, Unite de Recherche Etude et Gestion des Environnements Cotiers et Urbains (Tunisia); Tlili, A. [Faculte des Sciences de Sfax, Dept. de Geologie (Tunisia)

2002-01-01

This study held in Sfax City (Tunisia), showed that the atmospheric pollution level is strongly influenced by industrial sources, obstacles and meteorological factors. The factory of phosphate treatment 'SIAPE' displayed the main polluting source in the City. It is the principal issuing of SO{sub x} and toxic metals. The phosphogypsum deposit displayed an obstacle to the atmospheric diffusion of pollutants. Their stagnation is accentuated under smoky conditions. Several episodes of SO{sub 2} and dust are attributed to the effect of marked thermal inversions and the sirocco wind. The limited influence of traffic was proved by the registration of NO{sub x}, which showed low concentrations. It is conditioned by the change of fashion life of people and their customs of work (Ramadan month, agricultural activities). As a result, the adequate treatment of atmospheric industrial emanations (notably those of SIAPE) and the evacuation of artificial obstacles have to be considered. (authors)

The Molecular Level Characterization of Biodegradable Polymers Originated from Polyethylene Using Non-Oxygenated Polyethylene Wax as a Carbon Source for Polyhydroxyalkanoate Production.

Science.gov (United States)

Johnston, Brian; Jiang, Guozhan; Hill, David; Adamus, Grazyna; Kwiecień, Iwona; Zięba, Magdalena; Sikorska, Wanda; Green, Matthew; Kowalczuk, Marek; Radecka, Iza

2017-08-28

There is an increasing demand for bio-based polymers that are developed from recycled materials. The production of biodegradable polymers can include bio-technological (utilizing microorganisms or enzymes) or chemical synthesis procedures. This report demonstrates the corroboration of the molecular structure of polyhydroxyalkanoates (PHAs) obtained by the conversion of waste polyethylene (PE) via non-oxygenated PE wax (N-PEW) as an additional carbon source for a bacterial species. The N-PEW, obtained from a PE pyrolysis reaction, has been found to be a beneficial carbon source for PHA production with Cupriavidus necator H16. The production of the N-PEW is an alternative to oxidized polyethylene wax (O-PEW) (that has been used as a carbon source previously) as it is less time consuming to manufacture and offers fewer industrial applications. A range of molecular structural analytical techniques were performed on the PHAs obtained; which included nuclear magnetic resonance (NMR) and electrospray ionisation tandem mass spectrometry (ESI-MS/MS). Our study showed that the PHA formed from N-PEW contained 3-hydroxybutyrate (HB) with 11 mol% of 3-hydroxyvalerate (HV) units.

Influence of Frenkel Excitons and Charge Transfer States on the Spectroscopic Properties of Organic Molecular Crystals

OpenAIRE

Gisslén, Linus Mathias

2010-01-01

Perylene derivatives are robust organic dyes absorbing and emitting light in the visible range and in the near infrared. They display a strong tendency to self-assemble into molecular aggregates, liquid crystals, or even crystals. In this thesis, we have demonstrated a successful realization of a theoretical approach describing the fundamental interactions influencing on exciton transfer in crystalline perylenes pigments. Furthermore, the microscopic parameter set obtained has allowed to calc...

Determination of total sulfur in agricultural samples by high-resolution continuum source flame molecular absorption spectrometry.

Science.gov (United States)

Virgilio, Alex; Raposo, Jorge L; Cardoso, Arnaldo A; Nóbrega, Joaquim A; Gomes Neto, José A

2011-03-23

The usefulness of molecular absorption was investigated for the determination of total sulfur (S) in agricultural samples by high-resolution continuum source flame molecular absorption spectrometry. The lines for CS at 257.595, 257.958, and 258.056 nm and for SH at 323.658, 324.064, and 327.990 nm were evaluated. Figures of merit, such as linear dynamic range, sensitivity, linear correlation, characteristic concentration, limit of detection, and precision, were established. For selected CS lines, wavelength-integrated absorbance equivalent to 3 pixels, analytical curves in the 100-2500 mg L(-1) (257.595 nm), 250-2000 mg L(-1) (257.958 nm), and 250-5000 mg L(-1) (258.056 nm) ranges with a linear correlation coefficient better than 0.9980 were obtained. Results were in agreement at a 95% confidence level (paired t test) with those obtained by gravimetry. Recoveries of S in fungicide and fertilizer samples were within the 84-109% range, and the relative standard deviation (n=12) was typically <5%.

Investigation of natural phosphatidylcholine sources: separation and identification by liquid chromatography-electrospray ionization-tandem mass spectrometry (LC-ESI-MS2) of molecular species.

Science.gov (United States)

Le Grandois, Julie; Marchioni, Eric; Zhao, Minjie; Giuffrida, Francesca; Ennahar, Saïd; Bindler, Françoise

2009-07-22

This study is a contribution to the exploration of natural phospholipid (PL) sources rich in long-chain polyunsaturated fatty acids (LC-PUFAs) with nutritional interest. Phosphatidylcholines (PCs) were purified from total lipid extracts of different food matrices, and their molecular species were separated and identified by liquid chromatography-electrospray ionization-tandem mass spectrometry (LC-ESI-MS(2)). Fragmentation of lithiated adducts allowed for the identification of fatty acids linked to the glycerol backbone. Soy PC was particularly rich in species containing essential fatty acids, such as (18:2-18:2)PC (34.0%), (16:0-18:2)PC (20.8%), and (18:1-18:2)PC (16.3%). PC from animal sources (ox liver and egg yolk) contained major molecular species, such as (16:0-18:2)PC, (16:0-18:1)PC, (18:0-18:2)PC, or (18:0-18:1)PC. Finally, marine source (krill oil), which was particularly rich in (16:0-20:5)PC and (16:0-22:6)PC, appeared to be an interesting potential source for food supplementation with LC-PUFA-PLs, particularly eicosapentaenoic acid (EPA) and docosahexaenoic acid (DHA).

The influence of copper concentration and source on ileal microbiota.

Science.gov (United States)

Pang, Y; Patterson, J A; Applegate, T J

2009-03-01

Copper is normally supplemented in poultry diets as a growth promotant and antimicrobial. However, there are conflicting reports about the growth benefits and little information about how Cu affects the microbiota in the intestinal tract of poultry. Therefore, in vitro and in vivo experiments were conducted with broilers to determine the effects of Cu source and supplementation on ileal microbiota. The influence of Cu on growth of lactobacilli and Escherichia coli in media inoculated with ileal contents was determined in the first study. When Cu sulfate pentahydrate was supplemented to the cultures, quadratic increases in lactobacilli to graded concentrations of Cu up to 125 mg/kg and quadratic decreases in E. coli up to 250 mg/kg of Cu were observed after 24 h of incubation at 37 degrees C. However, when tribasic Cu chloride (TBCC) was supplemented, neither linear nor quadratic responses to graded concentrations of dietary Cu were observed on number of lactobacilli or number of E. coli. The effects of Cu and Cu source on ileal microbiota and growth performance in broiler chickens were determined in the second study. Bird performance was not affected by Cu source or concentration. The bacterial culture enumeration results revealed that supplementation with 187.5 mg/kg of Cu from Cu sulfate pentahydrate and TBCC had no effect on number of ileal lactobacilli of birds. The denaturing gradient gel electrophoresis analyses of ileal microbial communities revealed that neither Cu supplementation nor source had effects on the number of bacterial species predominant in the ileal digesta or associated with the ileal mucosa. Supplementation with TBCC supplementation significantly increased the similarity coefficients of microbiota in the ileal mucosa compared with cross-products of all individuals. This suggests that TBCC may alter the intestinal microbiota, yet this shift had no effect on bird performance.

Influence of climate on alpine stream chemistry and water sources

Science.gov (United States)

Foks, Sydney; Stets, Edward; Singha, Kamini; Clow, David W.

2018-01-01

The resilience of alpine/subalpine watersheds may be viewed as the resistance of streamflow or stream chemistry to change under varying climatic conditions, which is governed by the relative size (volume) and transit time of surface and subsurface water sources. Here, we use end‐member mixing analysis in Andrews Creek, an alpine stream in Rocky Mountain National Park, Colorado, from water year 1994 to 2015, to explore how the partitioning of water sources and associated hydrologic resilience change in response to climate. Our results indicate that four water sources are significant contributors to Andrews Creek, including snow, rain, soil water, and talus groundwater. Seasonal patterns in source‐water contributions reflected the seasonal hydrologic cycle, which is driven by the accumulation and melting of seasonal snowpack. Flushing of soil water had a large effect on stream chemistry during spring snowmelt, despite making only a small contribution to streamflow volume. Snow had a large influence on stream chemistry as well, contributing large amounts of water with low concentrations of weathering products. Interannual patterns in end‐member contributions reflected responses to drought and wet periods. Moderate and significant correlations exist between annual end‐member contributions and regional‐scale climate indices (the Palmer Drought Severity Index, the Palmer Hydrologic Drought Index, and the Modified Palmer Drought Severity Index). From water year 1994 to 2015, the percent contribution from the talus‐groundwater end member to Andrews Creek increased an average of 0.5% per year (p < 0.0001), whereas the percent contributions from snow plus rain decreased by a similar amount (p = 0.001). Our results show how water and solute sources in alpine environments shift in response to climate variability and highlight the role of talus groundwater and soil water in providing hydrologic resilience to the system.

Influence of Dietary Fat Source on Growth Performance Responses and Carcass Traits of Broiler Chicks

Directory of Open Access Journals (Sweden)

Mohammadreza Poorghasemi

2013-05-01

Full Text Available This study was conducted to determine the effects of three different fat sources and their combination on growth performance, carcass traits and intestinal measurements of broiler chickens reared to 42 d of age. Two hundred day-old male broiler chicks (Ross 308 were randomly assigned to one of five treatments with four replicates of 10 chicks based on a completely randomized design. The dietary treatments consisted of 4% added fat from three different sources and their combination as follows: T, diet containing 4% tallow; CO, diet containing 4% canola oil; SFO, diet containing 4% sunflower oil; TCO, diet containing 2% tallow+2% canola oil; TSFO, diet containing 2% tallow+2% sunflower oil. Dietary fat type affected significantly BW and gain as well as feed efficiency in birds fed the TCO diets compared with those fed the other diets. Dietary fat type also modified meat yield, resulting in a higher breast and drumstick yields in the birds fed TCO and TSFO diets, respectively. Most of internal organ relative weights and small intestine measurements were not influenced by dietary treatments, except for the abdominal fat pad weight that was lower in birds fed SFO and for small intestinal length that was influenced by fat source. Results from the current study suggested that the supplementation with a combination of vegetable and animal fat sources in broiler diet supported positively growth performance and carcass parameters.

The influence of ambipolarity on plasma confinement and on the performance of electron cyclotron resonance ion sources.

Science.gov (United States)

Schachter, L; Dobrescu, S; Stiebing, K E; Thuillier, T; Lamy, T

2008-02-01

Charge diffusion in an electron cyclotron resonance ion source (ECRIS) discharge is usually characterized by nonambipolar behavior. While the ions are transported to the radial walls, electrons are lost axially from the magnetic trap. Global neutrality is maintained via compensating currents in the conducting walls of the vacuum chamber. It is assumed that this behavior reduces the ion breeding times compared to a truly ambipolar plasma. We have carried out a series of dedicated experiments in which the ambipolarity of the ECRIS plasma was influenced by inserting special metal-dielectric structures (MD layers) into the plasma chamber of the Frankfurt 14 GHz ECRIS. The measurements demonstrate the positive influence on the source performance when the ECR plasma is changed toward more ambipolar behavior.

Influence of coal as an energy source on environmental pollution

Energy Technology Data Exchange (ETDEWEB)

Balat, M. [University of Mahallesi, Trabzon (Turkey)

2007-07-01

This article considers the influence of coal energy on environmental pollution. Coal is undoubtedly part of the greenhouse problem. The main emissions from coal combustion are sulfur dioxide (SO{sub 2}), nitrogen oxides (NOx), particulates, carbon dioxide (CO{sub 2}), and mercury (Hg). Since 1980, despite a 36% increase in electricity generation and more than a 50% increase in coal use, electric utility SO{sub 2} and NOx emissions have declined significantly. Globally, the largest source of anthropogenic greenhouse gas (GHG) emissions is CO{sub 2} from the combustion of fossil fuels - around 75% of total GHG emissions covered under the Kyoto Protocol. At the present time, coal is responsible for 30-40% of world CO{sub 2} emission from fossil fuels.

Influence of source parameters on the growth of metal nanoparticles by sputter-gas-aggregation

Science.gov (United States)

Khojasteh, Malak; Kresin, Vitaly V.

2017-11-01

We describe the production of size-selected manganese nanoclusters using a magnetron sputtering/aggregation source. Since nanoparticle production is sensitive to a range of overlapping operating parameters (in particular, the sputtering discharge power, the inert gas flow rates, and the aggregation length), we focus on a detailed map of the influence of each parameter on the average nanocluster size. In this way, it is possible to identify the main contribution of each parameter to the physical processes taking place within the source. The discharge power and argon flow supply the metal vapor, and argon also plays a crucial role in the formation of condensation nuclei via three-body collisions. However, the argon flow and the discharge power have a relatively weak effect on the average nanocluster size in the exiting beam. Here the defining role is played by the source residence time, governed by the helium supply (which raises the pressure and density of the gas column inside the source, resulting in more efficient transport of nanoparticles to the exit) and by the aggregation path length.

p-type ZnO films with solid-source phosphorus doping by molecular-beam epitaxy

International Nuclear Information System (INIS)

Xiu, F.X.; Yang, Z.; Mandalapu, L.J.; Liu, J.L.; Beyermann, W. P.

2006-01-01

Phosphorus-doped p-type ZnO films were grown on r-plane sapphire substrates using molecular-beam epitaxy with a solid-source GaP effusion cell. X-ray diffraction spectra and reflection high-energy electron diffraction patterns indicate that high-quality single crystalline (1120) ZnO films were obtained. Hall and resistivity measurements show that the phosphorus-doped ZnO films have high hole concentrations and low resistivities at room temperature. Photoluminescence (PL) measurements at 8 K reveal a dominant acceptor-bound exciton emission with an energy of 3.317 eV. The acceptor energy level of the phosphorus dopant is estimated to be 0.18 eV above the valence band from PL spectra, which is also consistent with the temperature dependence of PL measurements

Group III nitride-arsenide long wavelength lasers grown by elemental source molecular beam epitaxy

International Nuclear Information System (INIS)

Coldren, C. W.; Spruytte, S. G.; Harris, J. S.; Larson, M. C.

2000-01-01

Elemental source molecular beam epitaxy was used to grow InGaNAs quantum well samples, edge-emitting laser diodes, and vertical-cavity laser diodes on GaAs substrates. The quantum well samples exhibited an as-grown room temperature photoluminescence peak beyond 1310 nm which both increased dramatically in intensity and blueshifted with thermal annealing. Edge emitting laser diodes had threshold current densities as low as 450 and 750 A/cm 2 for single and triple quantum well active regions, respectively, and emitted light at 1220-1250 nm. The vertical cavity laser diodes emitted light at 1200 nm and had threshold current densities of 3 kA/cm 2 and efficiencies of 0.066 W/A. (c) 2000 American Vacuum Society

Transitional grain boundary structures and the influence on thermal, mechanical and energy properties from molecular dynamics simulations

International Nuclear Information System (INIS)

Burbery, N.J.; Das, R.; Ferguson, W.G.

2016-01-01

The thermo-kinetic characteristics that dictate the activation of atomistic crystal defects significantly influence the mechanical properties of crystalline materials. Grain boundaries (GBs) primarily influence the plastic deformation of FCC metals through their interaction with mobile dislocation defects. The activation thresholds and atomic mechanisms that dictate the thermo-kinetic properties of grain boundaries have been difficult to study due to complex and highly variable GB structure. This paper presents a new approach for modelling GBs which is based on a systematic structural analysis of metastable and stable GBs. GB structural transformation accommodates defect interactions at the interface. The activation energy for such structural transformations was evaluated with nudged elastic band analysis of bi-crystals with several metastable 0 K grain boundary structures in pure FCC Aluminium (Al). The resultant activation energy was used to evaluate the thermal stability of the metastable grain boundary structures, with predictions of transition time based on transition state theory. The predictions are in very good agreement with the minimum time for irreversible structure transformation at 300 K obtained with molecular dynamics simulations. Analytical methods were used to evaluate the activation volume, which in turn was used to predict and explain the influence of stress and strain rate on the thermal and mechanical properties. Results of molecular dynamics simulations show that the GB structure is more closely related to the elastic strength at 0 K than the GB energy. Furthermore, the thermal instability of the GB structure directly influences the relationship between bi-crystal strength, temperature and strain rate. Hence, theoretically consistent models are established on the basis of activation criteria, and used to make predictions of temperature-dependent yield stress at a low strain rate, in agreement with experimental results.

Life from the stars?. [extraterrestrial sources contributing to chemical evolution on Earth

Science.gov (United States)

Pendleton, Yvonne J.; Cruikshank, Dale P.

1994-01-01

Scientists are now seriously considering the possibility that organic matter from interstellar space could have influenced, or even spurred, the origin of life on Earth. Various aspects of chemical evolution are discussed along with possible extraterrestrial sources responsible for contributing to Earth's life-producing, chemical composition. Specific topics covered include the following: interstellar matter, molecular clouds, asteroid dust, organic molecules in our solar system, interplanetary dust and comets, meteoritic composition, and organic-rich solar-system bodies.

INFLUENCE OF THE GALACTIC GRAVITATIONAL FIELD ON THE POSITIONAL ACCURACY OF EXTRAGALACTIC SOURCES

International Nuclear Information System (INIS)

Larchenkova, Tatiana I.; Lutovinov, Alexander A.; Lyskova, Natalya S.

2017-01-01

We investigate the influence of random variations of the Galactic gravitational field on the apparent celestial positions of extragalactic sources. The basic statistical characteristics of a stochastic process (first-order moments, an autocorrelation function and a power spectral density) are used to describe a light ray deflection in a gravitational field of randomly moving point masses as a function of the source coordinates. We map a 2D distribution of the standard deviation of the angular shifts in positions of distant sources (including reference sources of the International Celestial Reference Frame) with respect to their true positions. For different Galactic matter distributions the standard deviation of the offset angle can reach several tens of μ as (microarcsecond) toward the Galactic center, decreasing down to 4–6 μ as at high galactic latitudes. The conditional standard deviation (“jitter”) of 2.5 μ as is reached within 10 years at high galactic latitudes and within a few months toward the inner part of the Galaxy. The photometric microlensing events are not expected to be disturbed by astrometric random variations anywhere except the inner part of the Galaxy as the Einstein–Chvolson times are typically much shorter than the jittering timescale. While a jitter of a single reference source can be up to dozens of μ as over some reasonable observational time, using a sample of reference sources would reduce the error in relative astrometry. The obtained results can be used for estimating the physical upper limits on the time-dependent accuracy of astrometric measurements.

INFLUENCE OF THE GALACTIC GRAVITATIONAL FIELD ON THE POSITIONAL ACCURACY OF EXTRAGALACTIC SOURCES

Energy Technology Data Exchange (ETDEWEB)

Larchenkova, Tatiana I. [ASC of P.N.Lebedev Physical Institute, Leninskiy prospect 53, Moscow 119991 (Russian Federation); Lutovinov, Alexander A.; Lyskova, Natalya S. [Space Research Institute, Russian Academy of Sciences, Profsoyuznaya 84/32, 117997 Moscow (Russian Federation)

2017-01-20

We investigate the influence of random variations of the Galactic gravitational field on the apparent celestial positions of extragalactic sources. The basic statistical characteristics of a stochastic process (first-order moments, an autocorrelation function and a power spectral density) are used to describe a light ray deflection in a gravitational field of randomly moving point masses as a function of the source coordinates. We map a 2D distribution of the standard deviation of the angular shifts in positions of distant sources (including reference sources of the International Celestial Reference Frame) with respect to their true positions. For different Galactic matter distributions the standard deviation of the offset angle can reach several tens of μ as (microarcsecond) toward the Galactic center, decreasing down to 4–6 μ as at high galactic latitudes. The conditional standard deviation (“jitter”) of 2.5 μ as is reached within 10 years at high galactic latitudes and within a few months toward the inner part of the Galaxy. The photometric microlensing events are not expected to be disturbed by astrometric random variations anywhere except the inner part of the Galaxy as the Einstein–Chvolson times are typically much shorter than the jittering timescale. While a jitter of a single reference source can be up to dozens of μ as over some reasonable observational time, using a sample of reference sources would reduce the error in relative astrometry. The obtained results can be used for estimating the physical upper limits on the time-dependent accuracy of astrometric measurements.

The influence of source term release parameters on health effects

International Nuclear Information System (INIS)

Jeong, Jong Tae; Ha, Jae Joo

1998-08-01

In this study, the influence of source term release parameters on the health effects was examined. This is very useful in identifying the relative importance of release parameters and can be an important factor in developing a strategy for reducing offsite risks. The release parameters investigated in this study are release height, heat content, fuel burnup, release time, release duration, and warning time. The health effects affected by the change of release parameters are early fatalities, cancer fatalities, early injuries, cancer injuries, early fatality risk, population weighted early fatality risk, population weighted cancer fatality risk, effective whole body population dose, population exceeding an early acute red bone marrow dose of 1.5 Sv, and distance at which early fatalities are expected to occur. As release height increases, the values of early health effects such as early fatalities and injuries decrease. However, the release height dose not have significant influences on late health effects. The values of both early and late health effects decrease as heat content increases. The increase fuel burnup, i.e., the increase of core inventories increases the late health effects, however, has small influence on the early health effects. But, the number of early injuries increases as the fuel burnup increases. The effects of release time increase shows very similar influence on both the early and late health effects. As the release time increases to 2 hours, the values of health effects increase and then decrease rapidly. As release duration increases, the values of late health effects increase slightly, however, the values of early health effects decrease. As warning time increases to 2 hours, the values of late health effects decrease and then shows no variation. The number of early injuries decreases rapidly as the warning time increases to 2 hours. However, the number of early fatalities and the early fatality risk increase as the warning time increases

Assessing comparative terrestrial ecotoxicity of Cd, Co, Cu, Ni, Pb, and Zn: The influence of aging and emission source

DEFF Research Database (Denmark)

Owsianiak, Mikolaj; Holm, Peter E.; Fantke, Peter

2015-01-01

H or soil organic carbon, emission source occasionally has an effect on reactivity of Cd, Co, Cu, Ni, Pb and Zn emitted from various anthropogenic sources followed by aging in the soil from a few years to two centuries. The uncertainties in estimating the age prevent definitive conclusions about...... the influence of aging time on the reactivity of metals from anthropogenic sources in soils. Thus, for calculating comparative toxicity potentials of man-made metal contaminations in soils, we recommend using time-horizon independent accessibility factors derived from source-specific reactive fractions....

Influence of density on radiation-chemical yield of molecular hydrogen formed at radiolysis of aqueous solution of NaOH

International Nuclear Information System (INIS)

Jafarov, Y.D.; Hajiyeva, S.R.; Ramazanova, N.K.; Aliyev, S.M.; Alasgarov, A.M.

2014-01-01

Full text : In atom and nuclear energy the specialists knowledge about radiation-chemical yield of the initial products formed under the influence of ionizing rays on water is of great importance from the point of security. The radiation-chemical yields of molecular hydrogen have been defined according to the graph and the obtained results

Modeling the influence of coupled mass transfer processes on mass flux downgradient of heterogeneous DNAPL source zones.

Science.gov (United States)

Yang, Lurong; Wang, Xinyu; Mendoza-Sanchez, Itza; Abriola, Linda M

2018-04-01

Sequestered mass in low permeability zones has been increasingly recognized as an important source of organic chemical contamination that acts to sustain downgradient plume concentrations above regulated levels. However, few modeling studies have investigated the influence of this sequestered mass and associated (coupled) mass transfer processes on plume persistence in complex dense nonaqueous phase liquid (DNAPL) source zones. This paper employs a multiphase flow and transport simulator (a modified version of the modular transport simulator MT3DMS) to explore the two- and three-dimensional evolution of source zone mass distribution and near-source plume persistence for two ensembles of highly heterogeneous DNAPL source zone realizations. Simulations reveal the strong influence of subsurface heterogeneity on the complexity of DNAPL and sequestered (immobile/sorbed) mass distribution. Small zones of entrapped DNAPL are shown to serve as a persistent source of low concentration plumes, difficult to distinguish from other (sorbed and immobile dissolved) sequestered mass sources. Results suggest that the presence of DNAPL tends to control plume longevity in the near-source area; for the examined scenarios, a substantial fraction (43.3-99.2%) of plume life was sustained by DNAPL dissolution processes. The presence of sorptive media and the extent of sorption non-ideality are shown to greatly affect predictions of near-source plume persistence following DNAPL depletion, with plume persistence varying one to two orders of magnitude with the selected sorption model. Results demonstrate the importance of sorption-controlled back diffusion from low permeability zones and reveal the importance of selecting the appropriate sorption model for accurate prediction of plume longevity. Large discrepancies for both DNAPL depletion time and plume longevity were observed between 2-D and 3-D model simulations. Differences between 2- and 3-D predictions increased in the presence of

Modeling the influence of coupled mass transfer processes on mass flux downgradient of heterogeneous DNAPL source zones

Science.gov (United States)

Yang, Lurong; Wang, Xinyu; Mendoza-Sanchez, Itza; Abriola, Linda M.

2018-04-01

Sequestered mass in low permeability zones has been increasingly recognized as an important source of organic chemical contamination that acts to sustain downgradient plume concentrations above regulated levels. However, few modeling studies have investigated the influence of this sequestered mass and associated (coupled) mass transfer processes on plume persistence in complex dense nonaqueous phase liquid (DNAPL) source zones. This paper employs a multiphase flow and transport simulator (a modified version of the modular transport simulator MT3DMS) to explore the two- and three-dimensional evolution of source zone mass distribution and near-source plume persistence for two ensembles of highly heterogeneous DNAPL source zone realizations. Simulations reveal the strong influence of subsurface heterogeneity on the complexity of DNAPL and sequestered (immobile/sorbed) mass distribution. Small zones of entrapped DNAPL are shown to serve as a persistent source of low concentration plumes, difficult to distinguish from other (sorbed and immobile dissolved) sequestered mass sources. Results suggest that the presence of DNAPL tends to control plume longevity in the near-source area; for the examined scenarios, a substantial fraction (43.3-99.2%) of plume life was sustained by DNAPL dissolution processes. The presence of sorptive media and the extent of sorption non-ideality are shown to greatly affect predictions of near-source plume persistence following DNAPL depletion, with plume persistence varying one to two orders of magnitude with the selected sorption model. Results demonstrate the importance of sorption-controlled back diffusion from low permeability zones and reveal the importance of selecting the appropriate sorption model for accurate prediction of plume longevity. Large discrepancies for both DNAPL depletion time and plume longevity were observed between 2-D and 3-D model simulations. Differences between 2- and 3-D predictions increased in the presence of

Development and Evaluation of an Open-Source Software Package “CGITA” for Quantifying Tumor Heterogeneity with Molecular Images

Directory of Open Access Journals (Sweden)

Yu-Hua Dean Fang

2014-01-01

Full Text Available Background. The quantification of tumor heterogeneity with molecular images, by analyzing the local or global variation in the spatial arrangements of pixel intensity with texture analysis, possesses a great clinical potential for treatment planning and prognosis. To address the lack of available software for computing the tumor heterogeneity on the public domain, we develop a software package, namely, Chang-Gung Image Texture Analysis (CGITA toolbox, and provide it to the research community as a free, open-source project. Methods. With a user-friendly graphical interface, CGITA provides users with an easy way to compute more than seventy heterogeneity indices. To test and demonstrate the usefulness of CGITA, we used a small cohort of eighteen locally advanced oral cavity (ORC cancer patients treated with definitive radiotherapies. Results. In our case study of ORC data, we found that more than ten of the current implemented heterogeneity indices outperformed SUVmean for outcome prediction in the ROC analysis with a higher area under curve (AUC. Heterogeneity indices provide a better area under the curve up to 0.9 than the SUVmean and TLG (0.6 and 0.52, resp.. Conclusions. CGITA is a free and open-source software package to quantify tumor heterogeneity from molecular images. CGITA is available for free for academic use at http://code.google.com/p/cgita.

Influence of the prepolymer molecular weight and free isocyanate content on the rheology of polyurethane modified bitumens

OpenAIRE

Carrera Páez, Virginia; Cuadri Vega, Antonio Abad; García Morales, Moisés; Partal López, Pedro

2014-01-01

Isocyanate-based modification is lately gaining acceptance as a successful way to give added value to bitumen, a crude oil refining by-product. In order to study the influence of prepolymer type on the rheological properties of the resulting binders, six prepolymers synthesized from polypropylene-glycols (PPG) with varying molecular weight (between 440 and 2425) and different molar excess of a polymeric MDI (4,4’-diphenylmethane diisocyanate) were used. Two modification procedures, either inv...

Influence of discharge gap on the discharge stability in a short vacuum arc ion source

Energy Technology Data Exchange (ETDEWEB)

Chen, L. [Institute of Electronic Engineering, China Academy of Engineering Physics, Mianyang, Sichuan 621900 (China); Department of Engineering Physics, Tsinghua University, Beijing 100084 (China); Zhang, G. L.; Jin, D. Z.; Dai, J. Y. [Institute of Electronic Engineering, China Academy of Engineering Physics, Mianyang, Sichuan 621900 (China); Yang, L. [Institute of Nuclear Science and Technology, Louzhou University, Lanzhou, Gansu 730000 (China)

2012-02-15

The influence of the discharge gap between cathode and anode on the discharge stability in a short vacuum arc (SVA) ion source is presented in this paper. Planar cathode and cylindrical hollow anode made of titanium are investigated. There is a great need in present accelerator injection research for SVA source to produce the small deviation of the ion current beam. Current research shows that increasing the short discharge gap can reduce the level of ion current deviation and ion charge deviation from 29% and 31% to 15% and 17%, respectively. A microplasma plume generation mechanism in SVA and scanning electron microscopic results can be used to explain this interesting phenomenon.

Sources And Compositional Distribution Of Polycyclic Aromatic ...

African Journals Online (AJOL)

For molecular mass 178, an anthracene to anthracene plus phenanthrene ratio ≤ 0.10 was taken as indication of petroleum related sources, while a ratio > 0.10 indicated dominance of combustion related sources. For molecular mass 202, a fluoranthene to fluoranthene plus pyrene ratio ≤ 0.50 was indication of petroleum ...

Using non-invasive molecular spectroscopic techniques to detect unique aspects of protein Amide functional groups and chemical properties of modeled forage from different sourced-origins.

Science.gov (United States)

Ji, Cuiying; Zhang, Xuewei; Yu, Peiqiang

2016-03-05

The non-invasive molecular spectroscopic technique-FT/IR is capable to detect the molecular structure spectral features that are associated with biological, nutritional and biodegradation functions. However, to date, few researches have been conducted to use these non-invasive molecular spectroscopic techniques to study forage internal protein structures associated with biodegradation and biological functions. The objectives of this study were to detect unique aspects and association of protein Amide functional groups in terms of protein Amide I and II spectral profiles and chemical properties in the alfalfa forage (Medicago sativa L.) from different sourced-origins. In this study, alfalfa hay with two different origins was used as modeled forage for molecular structure and chemical property study. In each forage origin, five to seven sources were analyzed. The molecular spectral profiles were determined using FT/IR non-invasive molecular spectroscopy. The parameters of protein spectral profiles included functional groups of Amide I, Amide II and Amide I to II ratio. The results show that the modeled forage Amide I and Amide II were centered at 1653 cm(-1) and 1545 cm(-1), respectively. The Amide I spectral height and area intensities were from 0.02 to 0.03 and 2.67 to 3.36 AI, respectively. The Amide II spectral height and area intensities were from 0.01 to 0.02 and 0.71 to 0.93 AI, respectively. The Amide I to II spectral peak height and area ratios were from 1.86 to 1.88 and 3.68 to 3.79, respectively. Our results show that the non-invasive molecular spectroscopic techniques are capable to detect forage internal protein structure features which are associated with forage chemical properties. Copyright © 2015 Elsevier B.V. All rights reserved.

Molecular Chemical Structure of Barley Proteins Revealed by Ultra-Spatially Resolved Synchrotron Light Sourced FTIR Microspectroscopy: Comparison of Barley Varieties

International Nuclear Information System (INIS)

Yu, P.

2007-01-01

Barley protein structure affects the barley quality, fermentation, and degradation behavior in both humans and animals among other factors such as protein matrix. Publications show various biological differences among barley varieties such as Valier and Harrington, which have significantly different degradation behaviors. The objectives of this study were to reveal the molecular structure of barley protein, comparing various varieties (Dolly, Valier, Harrington, LP955, AC Metcalfe, and Sisler), and quantify protein structure profiles using Gaussian and Lorentzian methods of multi-component peak modeling by using the ultra-spatially resolved synchrotron light sourced Fourier transform infrared microspectroscopy (SFTIRM). The items of the protein molecular structure revealed included protein structure α-helices, β-sheets, and others such as β-turns and random coils. The experiment was performed at the National Synchrotron Light Source in Brookhaven National Laboratory (BNL, US Department of Energy, NY). The results showed that with the SFTIRM, the molecular structure of barley protein could be revealed. Barley protein structures exhibited significant differences among the varieties in terms of proportion and ratio of model-fitted α-helices, β-sheets, and others. By using multi-component peaks modeling at protein amide I region of 1710-1576 cm -1 , the results show that barley protein consisted of approximately 18-34% of α-helices, 14-25% of β-sheets, and 44-69% others. AC Metcalfe, Sisler, and LP955 consisted of higher (P 0.05). The ratio of α-helices to others (0.3 to 1.0, P < 0.05) and that of β-sheets to others (0.2 to 0.8, P < 0.05) were different among the barley varieties. It needs to be pointed out that using a multi-peak modeling for protein structure analysis is only for making relative estimates and not exact determinations and only for the comparison purpose between varieties. The principal component analysis showed that protein amide I Fourier

Factors influencing the spatial extent of mobile source air pollution impacts: a meta-analysis

Directory of Open Access Journals (Sweden)

Levy Jonathan I

2007-05-01

Full Text Available Abstract Background There has been growing interest among exposure assessors, epidemiologists, and policymakers in the concept of "hot spots", or more broadly, the "spatial extent" of impacts from traffic-related air pollutants. This review attempts to quantitatively synthesize findings about the spatial extent under various circumstances. Methods We include both the peer-reviewed literature and government reports, and focus on four significant air pollutants: carbon monoxide, benzene, nitrogen oxides, and particulate matter (including both ultrafine particle counts and fine particle mass. From the identified studies, we extracted information about significant factors that would be hypothesized to influence the spatial extent within the study, such as the study type (e.g., monitoring, air dispersion modeling, GIS-based epidemiological studies, focus on concentrations or health risks, pollutant under study, background concentration, emission rate, and meteorological factors, as well as the study's implicit or explicit definition of spatial extent. We supplement this meta-analysis with results from some illustrative atmospheric dispersion modeling. Results We found that pollutant characteristics and background concentrations best explained variability in previously published spatial extent estimates, with a modifying influence of local meteorology, once some extreme values based on health risk estimates were removed from the analysis. As hypothesized, inert pollutants with high background concentrations had the largest spatial extent (often demonstrating no significant gradient, and pollutants formed in near-source chemical reactions (e.g., nitrogen dioxide had a larger spatial extent than pollutants depleted in near-source chemical reactions or removed through coagulation processes (e.g., nitrogen oxide and ultrafine particles. Our illustrative dispersion model illustrated the complex interplay of spatial extent definitions, emission rates

Parents' communication decision for children with hearing loss: sources of information and influence.

Science.gov (United States)

Decker, Kalli B; Vallotton, Claire D; Johnson, Harold A

2012-01-01

Choosing a method of communication for a child with hearing loss is a complex process that must occur early to prevent developmental consequences. Research shows that parents' decisions are influenced by professionals; parental attitudes and knowledge also may be influential. The present study investigated additional influences on parents' choices; data were collected via an online survey (N = 36). Results indicated no effects of parents' knowledge of development on their communication choices, but did indicate an effect of parents' values and priorities for their children. Further, parents who chose speech only received information from education or speech/audiology professionals more often. However, there were no group differences in sources parents cited as influential; all parents relied on their own judgment. Results suggest that parents internalize the opinions of professionals. Thus, accurate information from professionals is necessary for parents to make informed decisions about their children's communication.

Molecular property diagnostic suite (MPDS): Development of disease-specific open source web portals for drug discovery.

Science.gov (United States)

Nagamani, S; Gaur, A S; Tanneeru, K; Muneeswaran, G; Madugula, S S; Consortium, Mpds; Druzhilovskiy, D; Poroikov, V V; Sastry, G N

2017-11-01

Molecular property diagnostic suite (MPDS) is a Galaxy-based open source drug discovery and development platform. MPDS web portals are designed for several diseases, such as tuberculosis, diabetes mellitus, and other metabolic disorders, specifically aimed to evaluate and estimate the drug-likeness of a given molecule. MPDS consists of three modules, namely data libraries, data processing, and data analysis tools which are configured and interconnected to assist drug discovery for specific diseases. The data library module encompasses vast information on chemical space, wherein the MPDS compound library comprises 110.31 million unique molecules generated from public domain databases. Every molecule is assigned with a unique ID and card, which provides complete information for the molecule. Some of the modules in the MPDS are specific to the diseases, while others are non-specific. Importantly, a suitably altered protocol can be effectively generated for another disease-specific MPDS web portal by modifying some of the modules. Thus, the MPDS suite of web portals shows great promise to emerge as disease-specific portals of great value, integrating chemoinformatics, bioinformatics, molecular modelling, and structure- and analogue-based drug discovery approaches.

Feasibility of high-resolution continuum source molecular absorption spectrometry in flame and furnace for sulphur determination in petroleum products

Science.gov (United States)

Kowalewska, Zofia

2011-07-01

For the first time, high-resolution molecular absorption spectrometry with a high-intensity xenon lamp as radiation source has been applied for the determination of sulphur in crude oil and petroleum products. The samples were analysed as xylene solutions using vaporisation in acetylene-air flame or in an electrothermally heated graphite furnace. The sensitive rotational lines of the CS molecule, belonging to the ∆ν = 0 vibrational sequence within the electronic transition X 1∑ + → A 1П, were applied. For graphite furnace molecular absorption spectrometry, the Pd + Mg organic modifier was selected. Strong interactions with Pd atoms enable easier decomposition of sulphur-containing compounds, likely through the temporal formation of Pd xS y molecules. At the 258.056 nm line, with the wavelength range covering central pixel ± 5 pixels and with application of interactive background correction, the detection limit was 14 ng in graphite furnace molecular absorption spectrometry and 18 mg kg -1 in flame molecular absorption spectrometry. Meanwhile, application of 2-points background correction found a characteristic mass of 12 ng in graphite furnace molecular absorption spectrometry and a characteristic concentration of 104 mg kg -1 in flame molecular absorption spectrometry. The range of application of the proposed methods turned out to be significantly limited by the properties of the sulphur compounds of interest. In the case of volatile sulphur compounds, which can be present in light petroleum products, severe difficulties were encountered. On the contrary, heavy oils and residues from distillation as well as crude oil could be analysed using both flame and graphite furnace vaporisation. The good accuracy of the proposed methods for these samples was confirmed by their mutual consistency and the results from analysis of reference samples (certified reference materials and home reference materials with sulphur content determined by X-ray fluorescence

Feasibility of high-resolution continuum source molecular absorption spectrometry in flame and furnace for sulphur determination in petroleum products

Energy Technology Data Exchange (ETDEWEB)

Kowalewska, Zofia, E-mail: zofia.kowalewska@obr.pl

2011-07-15

For the first time, high-resolution molecular absorption spectrometry with a high-intensity xenon lamp as radiation source has been applied for the determination of sulphur in crude oil and petroleum products. The samples were analysed as xylene solutions using vaporisation in acetylene-air flame or in an electrothermally heated graphite furnace. The sensitive rotational lines of the CS molecule, belonging to the {Delta}{nu} = 0 vibrational sequence within the electronic transition X{sup 1}{Sigma}{sup +} {yields} A{sup 1}{Pi}, were applied. For graphite furnace molecular absorption spectrometry, the Pd + Mg organic modifier was selected. Strong interactions with Pd atoms enable easier decomposition of sulphur-containing compounds, likely through the temporal formation of Pd{sub x}S{sub y} molecules. At the 258.056 nm line, with the wavelength range covering central pixel {+-} 5 pixels and with application of interactive background correction, the detection limit was 14 ng in graphite furnace molecular absorption spectrometry and 18 mg kg{sup -1} in flame molecular absorption spectrometry. Meanwhile, application of 2-points background correction found a characteristic mass of 12 ng in graphite furnace molecular absorption spectrometry and a characteristic concentration of 104 mg kg{sup -1} in flame molecular absorption spectrometry. The range of application of the proposed methods turned out to be significantly limited by the properties of the sulphur compounds of interest. In the case of volatile sulphur compounds, which can be present in light petroleum products, severe difficulties were encountered. On the contrary, heavy oils and residues from distillation as well as crude oil could be analysed using both flame and graphite furnace vaporisation. The good accuracy of the proposed methods for these samples was confirmed by their mutual consistency and the results from analysis of reference samples (certified reference materials and home reference materials with

The Influence of Confirmation Bias on Memory and Source Monitoring.

Science.gov (United States)

Frost, Peter; Casey, Bridgette; Griffin, Kaydee; Raymundo, Luis; Farrell, Christopher; Carrigan, Ryan

2015-01-01

Two experiments were conducted to examine whether recognition memory for information and/or its source are influenced by confirmation bias. During Phase 1, subjects were shown a summary about the issue of gun control and asked to indicate a position on the issue. During Phase 2, 12 abstracts (Experiment 1) or social media posts (Experiment 2) were shown, one at a time. Posts in Experiment 2 were associated with either friends or strangers. Participants indicated whether they wanted to read a more extensive version of each abstract (Experiment 1) or post (Experiment 2). Phase 3 was the memory phase. Thirty-two abstract titles (Experiment 1) or posts (Experiment 2) were shown one at a time. Participants indicated yes or no, and whether they recognized the titles/posts from the last phase. Recognition memory for information that supported the participants' viewpoint was higher than that for opposing information.

Growth kinetics and properties of ZnO/ZnMgO heterostructures grown by radical-source molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Ivanov, S.V. [Institute of Semiconductor Technology, Technical University Braunschweig, Hans-Sommer-Str. 66, 38106 Braunschweig (Germany); Ioffe Physico-Technical Institute, Polytekhnicheskaya Street 26, 194021 St. Petersburg (Russian Federation); El-Shaer, A.; Bakin, A.; Waag, A. [Institute of Semiconductor Technology, Technical University Braunschweig, Hans-Sommer-Str. 66, 38106 Braunschweig (Germany); Shubina, T.V.; Listoshin, S.B. [Ioffe Physico-Technical Institute, Polytekhnicheskaya Street 26, 194021 St. Petersburg (Russian Federation)

2007-07-01

A phenomenological approach to quantitative description of Zn(Mg)O growth by radical-source molecular beam epitaxy, based on the experimental studies of RHEED intensity oscillations, has been developed. It allows a precise control of growth rate, composition and stoichiometry at any growth temperature, Along with optimization of a growth initiation procedure on a c-sapphire, it is necessary condition for fabrication of high quality ZnO epilayers and ZnO/ZnMgO heterostructures in a wide Mg composition range. (copyright 2007 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

Influence of gamma-irradiation on thermally-induced mesoscopic gelation of degalactosylated xyloglucans

International Nuclear Information System (INIS)

Todaro, S.; Sabatino, M.A.; Walo, M.; Mangione, M.R.; Bulone, D.; Dispenza, C.

2014-01-01

Thermoresponsive degalactosylated xyloglucans have been already proposed as in situ gelling scaffolds for tissue engineering, due to their reversible macroscopic thermal gelation at body temperature and biodegradability. The highly branched, hydroxyl group-rich molecular structure renders xyloglucans interesting raw materials also in the form of micro/nanoparticles for application as nanoscalar drug delivery devices in cosmetic and pharmaceutical formulations. Owing to their natural source, xyloglucans show high average molecular weight, broad molecular weight distribution and poor water solubility, as large and compact aggregates usually form via inter-molecular hydrogen bonding. 60 Co γ-irradiation has been here applied to reduce the molecular weight. The aqueous solutions of irradiated xyloglucan were characterized by dynamic light scattering measurements and gel filtration chromatography. The aggregation kinetics at 37 °C were studied by dynamic light scattering measurements to confirm the temperature-responsive behavior of this polymer even when dispersed in water at low concentration after γ-irradiation. Irradiation dose–molecular properties relationship has been sought. - Highlights: • Influence of γ-irradiation on a partially degalactosylated xyloglucan is investigated. • Molecular weight reduction is observed in the investigated dose range. • Modification of the temperature-induced mesoscopic gelation kinetics is evidenced

Molecularly Imprinted Membranes

Science.gov (United States)

Trotta, Francesco; Biasizzo, Miriam; Caldera, Fabrizio

2012-01-01

Although the roots of molecularly imprinted polymers lie in the beginning of 1930s in the past century, they have had an exponential growth only 40–50 years later by the works of Wulff and especially by Mosbach. More recently, it was also proved that molecular imprinted membranes (i.e., polymer thin films) that show recognition properties at molecular level of the template molecule are used in their formation. Different procedures and potential application in separation processes and catalysis are reported. The influences of different parameters on the discrimination abilities are also discussed. PMID:24958291

The effects of capsaicin and capsaicinoid analogs on metabolic molecular targets in highly energetic tissues and cell types.

Science.gov (United States)

Gannon, Nicholas P; Lambalot, Emily L; Vaughan, Roger A

2016-05-01

There is increasing interest in dietary chemicals that may provide benefits for pathologies such as diabetes and obesity. Capsaicinoids found in chili peppers and pepper extracts, are responsible for the "hot" or "spicy" sensation associated with these foods. Capsaicinoid consumption is also associated with enhanced metabolism, making them potentially therapeutic for metabolic disease by promoting weight loss. This review summarizes much of the current experimental evidence (ranging from basic to applied investigations) of the biochemical and molecular metabolic effects of capsaicinoids in metabolically significant cell types. Along with influencing metabolic rate, findings demonstrate capsaicinoids appear to alter molecular metabolic signaling, regulate hunger and satiety, blood metabolites, and catecholamine release. Notably, the majority of the experiments summarized herein utilized isolated supplemental or research grade capsaicinoids rather than natural food sources for experimental interventions. Additional work should be conducted using primary food sources of capsaicin to explore pharmacological, physiological, and metabolic benefits of both chronic and acute capsaicin consumption. © 2016 BioFactors, 42(3):229-246, 2016. © 2016 International Union of Biochemistry and Molecular Biology.

Information Sources Influencing Soil Testing Innovation Adoption by Grape Farmers in the Khorramdarreh Township

Directory of Open Access Journals (Sweden)

Seyedeh Shirin Golbaz

2015-08-01

Full Text Available Testing soil  is recognized to be an important practice for sustainable use of nutrients, which has been introduced to Iranian grape farmers as an innovation for over a decade. Its adoption and utilization may be influenced by receiving information from different sources. This study is performed to introduce these information sources that may influence the adoption of soil testing innovation by grape farmers. Using a survey, a sample of 260 out of 3942 grape farmers of the Khorramdarreh Township was selected using a stratified sampling technique and data was collected by structured interviews using a questionnaire. The content and face validity of the questionnaire was discussed and reviewed by a panel of experts consisting of university staff and agricultural professionals. Its reliability was also assessed through a pilot study and its main constructs were approved to be reliable using the Cronbach’s alpha test (measures between 0.71 and 0.84. Less than half of the grape farmers conducted soil testing in their vineyards. A regression analysis showed that variables such as contact of the farmers with model grape producers, Poster Received, publications and listening to radio programs and farmers’ education have a significant positive impact on soil testing innovation adoption. Therefore, both interpersonal and mass media can have a positive effect on farmers to adopt this innovation.

Kinetics of Low Temperature Polyester Dyeing with High Molecular Weight Disperse Dyes by Solvent Microemulsion and AgroSourced Auxiliaries

OpenAIRE

Shahram Radei; F. Javier Carrión-Fité; Mònica Ardanuy; José María Canal

2018-01-01

This work focused on the evaluation of the kinetics of dyeing polyester fabrics with high molecular weight disperse dyes, at low temperature by solvent microemulsion. This study also compared the effect of two non-toxic agro-sourced auxiliaries (o-vanillin and coumarin) using a non-toxic organic solvent. A dyeing bath consisting of a micro-emulsion system involving a small proportion of n-butyl acetate was used, and the kinetics of dyeing were analysed at four temperatures (83, 90, 95 and 100...

Influences of gamma irradiation treatment on the molecular weight of chitosan

International Nuclear Information System (INIS)

Luu Thi Tho; Nguyen Viet Thong; Tran Minh Quynh; Vu Thi Hong Khanh

2013-01-01

Effects of gamma radiation on molecular properties of shrimp and squid chitosan (MTV, Vietnam) have been studied with three kind chitosan that having degree of deacetylation 75% and different molecular molecular weight of 69, 187 and 345 kDa, Chitosan samples were irradiated at the same dose rate of 4.3 kGy per hour with various radiation dose of 25, 50, 75, 100, 200 and 500 kGy. The viscosity average molecular weight and degree of deacetylation (DD) of chitosan before and after irradiation have been investigated via their intrinsic viscosity and Furrier transform infra-red (FT-IR). The data revealed the chitosan backbone chains has been degraded by gamma radiation, resulting in the smaller fragments with reduced molecular weight to 3000 Da, whereas their DD have not much changed. (author)

Influence of thermal annealing-induced molecular aggregation on film properties and photovoltaic performance of bulk heterojunction solar cells based on a squaraine dye

Science.gov (United States)

Zhang, Pengpeng; Ling, Zhitian; Chen, Guo; Wei, Bin

2018-04-01

Squaraine (SQ) dyes have been considered as efficient photoactive materials for organic solar cells. In this work, we purposely controlled the molecular aggregation of an SQ dye, 2,4-bis[4-(N,N-dibutylamino)-2-dihydroxyphenyl] SQ (DBSQ-(OH)2) in the DBSQ(OH)2:[6,6]-phenyl-C61-butyric acid methyl ester (PCBM) blend film by using the thermal annealing method, to study the influence of the molecular aggregation on film properties as well as the photovoltaic performance of DBSQ(OH)2:PCBM-based bulk heterojunction (BHJ) solar cells. Our results demonstrate that thermal annealing may change the aggregation behavior of DBSQ(OH)2 in the DBSQ(OH)2:PCBM film, and thus significantly influence the surface morphology, optical and electrical properties of the blend film, as well as the photovoltaic performance of DBSQ(OH)2:PCBM BHJ cells.

Understanding charge transport in molecular electronics.

Science.gov (United States)

Kushmerick, J J; Pollack, S K; Yang, J C; Naciri, J; Holt, D B; Ratner, M A; Shashidhar, R

2003-12-01

For molecular electronics to become a viable technology the factors that control charge transport across a metal-molecule-metal junction need to be elucidated. We use an experimentally simple crossed-wire tunnel junction to interrogate how factors such as metal-molecule coupling, molecular structure, and the choice of metal electrode influence the current-voltage characteristics of a molecular junction.

Source Apportionment of Background PAHs in the Peace-Athabasca Delta (Alberta, Canada) Using Molecular Level Radiocarbon Analysis.

Science.gov (United States)

Jautzy, Josué J; Ahad, Jason M E; Hall, Roland I; Wiklund, Johan A; Wolfe, Brent B; Gobeil, Charles; Savard, Martine M

2015-08-04

The downstream accumulation of polycyclic aromatic hydrocarbons (PAHs) in the Peace-Athabasca Delta (PAD), an ecologically important landscape, is a key issue of concern given the rapid development of the oil sands industry in Northern Alberta, Canada. In addition to PAHs derived from industrial activity (i.e., oil sands mining) within the Athabasca watershed, however, forest fires and erosion of fossil fuel deposits within both the Athabasca and Peace watersheds are two potentially important natural sources of PAHs delivered to the PAD. Consequently, evaluating the environmental impact of mining activities requires a quantitative understanding of natural, background PAHs. Here, we utilize molecular-level natural-abundance radiocarbon measurements on an amalgamated sediment record from a Peace River flood-susceptible oxbow lake in the northern Peace sector of the PAD to quantitatively discriminate sources of naturally occurring alkylated PAHs (fossil and modern biomass). A radiocarbon mass balance quantified a predominantly natural petrogenic source (93% petrogenic, 7% forest fire) for alkylated PAHs during the past ∼50 years. Additionally, a significant petrogenic component determined for retene, a compound usually considered a biomarker for softwood combustion, suggests that its use as a unique forest fire indicator may not be suitable in PAD sediments receiving Peace watershed-derived fluvial inputs.

Influence of dietary lipid and protein sources on the sensory quality of organic rainbow trout (Oncorhynchus mykiss) after ice storage

DEFF Research Database (Denmark)

Green-Petersen, Ditte; Hyldig, Grethe; Jacobsen, Charlotte

2014-01-01

The influence of dietary protein and lipid sources on the quality of organic rainbow trout (Oncorhynchus mykiss) was studied. The protein and oil sources were fishmeal, fish oil, and organic vegetable protein and oils. Sensory profiling was performed during 3 to 14 days of ice storage along...... with lipid analyses of the fillet. Overall, the results showed that the sensory characteristics of the trout were affected in different ways during ice storage. The source of lipid seemed to affect the sensory quality at the beginning of the storage period, while the protein source seemed to have a more...

Insights on the Optical Properties of Estuarine DOM - Hydrological and Biological Influences.

Directory of Open Access Journals (Sweden)

Luísa Santos

Full Text Available Dissolved organic matter (DOM in estuaries derives from a diverse array of both allochthonous and autochthonous sources. In the estuarine system Ria de Aveiro (Portugal, the seasonality and the sources of the fraction of DOM that absorbs light (CDOM were inferred using its optical and fluorescence properties. CDOM parameters known to be affected by aromaticity and molecular weight were correlated with physical, chemical and meteorological parameters. Two sites, representative of the marine and brackish water zones of the estuary, and with different hydrological characteristics, were regularly surveyed along two years, in order to determine the major influences on CDOM properties. Terrestrial-derived compounds are the predominant source of CDOM in the estuary during almost all the year and the two estuarine zones presented distinct amounts, as well as absorbance and fluorescence characteristics. Freshwater inputs have major influence on the dynamics of CDOM in the estuary, in particular at the brackish water zone, where accounted for approximately 60% of CDOM variability. With a lower magnitude, the biological productivity also impacted the optical properties of CDOM, explaining about 15% of its variability. Therefore, climate changes related to seasonal and inter-annual variations of the precipitation amounts might impact the dynamics of CDOM significantly, influencing its photochemistry and the microbiological activities in estuarine systems.

Insights on the Optical Properties of Estuarine DOM - Hydrological and Biological Influences.

Science.gov (United States)

Santos, Luísa; Pinto, António; Filipe, Olga; Cunha, Ângela; Santos, Eduarda B H; Almeida, Adelaide

2016-01-01

Dissolved organic matter (DOM) in estuaries derives from a diverse array of both allochthonous and autochthonous sources. In the estuarine system Ria de Aveiro (Portugal), the seasonality and the sources of the fraction of DOM that absorbs light (CDOM) were inferred using its optical and fluorescence properties. CDOM parameters known to be affected by aromaticity and molecular weight were correlated with physical, chemical and meteorological parameters. Two sites, representative of the marine and brackish water zones of the estuary, and with different hydrological characteristics, were regularly surveyed along two years, in order to determine the major influences on CDOM properties. Terrestrial-derived compounds are the predominant source of CDOM in the estuary during almost all the year and the two estuarine zones presented distinct amounts, as well as absorbance and fluorescence characteristics. Freshwater inputs have major influence on the dynamics of CDOM in the estuary, in particular at the brackish water zone, where accounted for approximately 60% of CDOM variability. With a lower magnitude, the biological productivity also impacted the optical properties of CDOM, explaining about 15% of its variability. Therefore, climate changes related to seasonal and inter-annual variations of the precipitation amounts might impact the dynamics of CDOM significantly, influencing its photochemistry and the microbiological activities in estuarine systems.

The influence of molecular rotation on vibration--translation energy transfer

International Nuclear Information System (INIS)

McKenzie, R.L.

1977-01-01

The role of molecular rotations in the exchange of vibrational and translational energy is investigated for collisions between anharmonic diatomic molecules and structureless atoms. A three-dimensional, semiclassical, impact parameter description is applied with emphasis directed towards the influence of rotational coupling on the net rate of vibrational energy transfer summed over all final rotational states. These results are then related to the predictions of an equivalent collinear collision model, and their comparison allows an evaluation of the collinear approximation. The mechanisms of vibrational energy transfer including rotational transitions are shown to be separable into three classes, with the molecules belonging to each class identified first and foremost by their ratio of fundamental vibrational and rotational frequencies, ω/sub e//B/sub e/, and second by the proximity of their initial state to a near-resonant vibration--rotation transition with a small change in angular momentum. While the dynamics of molecules with ω/sub e//B/sub e/ ratios that are comparable to the range of angular momentum transitions having strong coupling are found to require a complete three-dimensional description, the rates of vibrational energy transfer in molecules with large ω/sub e//B/sub e/ ratios appear to be well approximated by a collinear collision model

Carbon sources in suspended particles and surface sediments from the Beaufort Sea revealed by molecular lipid biomarkers and compound-specific isotope analysis

Directory of Open Access Journals (Sweden)

I. Tolosa

2013-03-01

Full Text Available Molecular lipid biomarkers (hydrocarbons, alcohols, sterols and fatty acids and compound-specific isotope analysis of suspended particulate organic matter (SPM and surface sediments of the Mackenzie Shelf and slope (southeast Beaufort Sea, Arctic Ocean were studied in summer 2009. The concentrations of the molecular lipid markers, characteristic of known organic matter sources, were grouped and used as proxies to evaluate the relative importance of fresh algal, detrital algal, fossil, C3 terrestrial plants, bacterial and zooplankton material in the organic matter (OM of this area. Fossil and detrital algal contributions were the major fractions of the freshwater SPM from the Mackenzie River with ~34% each of the total molecular biomarkers. Fresh algal, C3 terrestrial, bacterial and zooplanktonic components represented much lower percentages, 17, 10, 4 and 80%, with a minor contribution of fossil and C3 terrestrial biomarkers. Characterization of the sediments revealed a major sink of refractory algal material mixed with some fresh algal material, fossil hydrocarbons and a small input of C3 terrestrial sources. In particular, the sediments from the shelf and at the mouth of the Amundsen Gulf presented the highest contribution of detrital algal material (60–75%, whereas those from the slope contained the highest proportion of fossil (40% and C3 terrestrial plant material (10%. Overall, considering that the detrital algal material is marine derived, autochthonous sources contributed more than allochthonous sources to the OM lipid pool. Using the ratio of an allochthonous biomarker (normalized to total organic carbon, TOC found in the sediments to those measured at the river mouth water, we estimated that the fraction of terrestrial material preserved in the sediments accounted for 30–40% of the total carbon in the inner shelf sediments, 17% in the outer shelf and Amundsen Gulf and up to 25% in the slope sediments. These estimates are low

Item Strength Influences Source Confidence and Alters Source Memory zROC Slopes

Science.gov (United States)

Starns, Jeffrey J.; Ksander, John C.

2016-01-01

Increasing the number of study trials creates a crossover pattern in source memory zROC slopes; that is, the slope is either below or above 1 depending on which source receives stronger learning. This pattern can be produced if additional learning affects memory processes such as the relative contribution of recollection and familiarity to source…

A practical approach to the classification of IRAS sources using infrared colors alone

International Nuclear Information System (INIS)

Walker, H.J.; Volk, K.; Wainscoat, R.J.; Schwartz, D.E.; Cohen, M.

1989-01-01

Zones of the IRAS color-color planes in which a variety of different types of known source occur, have been defined for the purpose of obtaining representative IRAS colors for them. There is considerable overlap between many of these zones, rendering a unique classification difficult on the basis of IRAS colors alone, although galactic latitude can resolve ambiguities between galactic and extragalactic populations. The color dependence of these zones on the presence of spectral emission/absorption features and on the spatial extent of the sources has been investigated. It is found that silicate emission features do not significantly influence the IRAS colors. Planetary nebulae may show a dependence of color on the presence of atomic or molecular features in emission, although the dominant cause of this effect may be the underlying red continua of nebulae with strong atomic lines. Only small shifts are detected in the colors of individual spatially extended sources when total flux measurements are substituted for point-source measurements. 36 refs

Synthesis and properties of ionic polyurethane dispersions: influence of polyol molecular weight

International Nuclear Information System (INIS)

Valipour Ebrahimi, M.; Barikani, M.; Mohammad Seyed Mohaghegh, S.

2006-01-01

A series of water dispersible polyurethanes containing carboxylate anion as the hydrophilic pendant group were prepared from toluene diisocyanate (TDI), 1,4- butanediol (1,4-BDO), dimethylol propionic acid and different molecular weight of polytetramethylene glycol . IR Spectroscopy was used to check the end of polymerization reaction and characterization of polymer. The effect of polytetramethylene glycol molecular weight was studied on the particle size distribution, contact angle, and mechanical and thermal properties of the emulsion-cast films. Average particle size of prepared polyurethane emulsions decreases with increasing the polytetramethylene glycol molecular weight. Tensile strength and hardness decrease and elongation-at-break and contact angle increase with increase of the polytetramethylene glycol molecular weight. Thermal property and thermal stability are also effected by variation of polytetramethylene glycol molecular weight. The thermal stability increases with increasing polytetramethylene glycol molecular weight. Glass transition temperature (T g ) moved toward the lower temperatures by increasing molecular weight of the polyol. Decrease in T g and tensile properties are interpreted in terms of the decrease in hard segments and the increase in chain flexibility and phase separation in high molecular weight polytetramethylene glycol based polyurethane

Dye shift: a neglected source of genotyping error in molecular ecology.

Science.gov (United States)

Sutton, Jolene T; Robertson, Bruce C; Jamieson, Ian G

2011-05-01

Molecular ecologists must be vigilant in detecting and accounting for genotyping error, yet potential errors stemming from dye-induced mobility shift (dye shift) may be frequently neglected and largely unknown to researchers who employ 3-primer systems with automated genotyping. When left uncorrected, dye shift can lead to mis-scoring alleles and even to falsely calling new alleles if different dyes are used to genotype the same locus in subsequent reactions. When we used four different fluorophore labels from a standard dye set to genotype the same set of loci, differences in the resulting size estimates for a single allele ranged from 2.07 bp to 3.68 bp. The strongest effects were associated with the fluorophore PET, and relative degree of dye shift was inversely related to locus size. We found little evidence in the literature that dye shift is regularly accounted for in 3-primer studies, despite knowledge of this phenomenon existing for over a decade. However, we did find some references to erroneous standard correction factors for the same set of dyes that we tested. We thus reiterate the need for strict quality control when attempting to reduce possible sources of genotyping error, and in cases where different dyes are applied to a single locus, perhaps mistakenly, we strongly discourage researchers from assuming generic correction patterns. © 2011 Blackwell Publishing Ltd.

How do informal information sources influence women's decision-making for birth? A meta-synthesis of qualitative studies.

Science.gov (United States)

Sanders, Ruth A; Crozier, Kenda

2018-01-10

Women approach birth using various methods of preparation drawing from conventional healthcare providers alongside informal information sources (IIS) outside the professional healthcare context. An investigation of the forms in which these informal information sources are accessed and negotiated by women, and how these disconnected and often conflicting elements influence women's decision-making process for birth have yet to be evaluated. The level of antenatal preparedness women feel can have significant and long lasting implications on their birth experience and transition into motherhood and beyond. The aim of this study was to provide a deeper understanding of how informal information sources influence women's preparation for birth. Seven electronic databases were searched with predetermined search terms. No limitations were imposed for year of publication. English language studies using qualitative methods exploring women's experiences of informal information sources and their impact upon women's birth preparation were included, subject to a quality appraisal framework. Searches were initiated in February 2016 and completed by March 2016. Studies were synthesised using an interpretive meta-ethnographic approach. Fourteen studies were included for the final synthesis from Great Britain, Australia, Canada and the United States. Four main themes were identified: Menu Birth; Information Heaven/Hell; Spheres of Support; and Trust. It is evident that women do not enter pregnancy as empty vessels devoid of a conceptual framework, but rather have a pre-constructed embodied knowledge base upon which other information is superimposed. Allied to this, it is clear that informal information was sought to mitigate against the widespread experience of discordant information provided by maternity professionals. Women's access to the deluge of informal information sources in mainstream media during pregnancy have significant impact on decision making for birth. These informal

Influence of Great East Japan Earthquake on neutron source station in J-PARC

International Nuclear Information System (INIS)

Sakai, Kenji; Sakamoto, Shinichi; Kinoshita, Hidetaka; Seki, Masakazu; Haga, Katsuhiro; Kogawa, Hiroyuki; Wakui, Takashi; Naoe, Takashi; Kasugai, Yoshimi; Tatsumoto, Hideki; Aso, Tomokazu; Hasegawa, Shoichi; Maekawa, Fujio; Oikawa, Kenichi; Ooi, Motoki; Watanabe, Akihiko; Teshigawara, Makoto; Meigo, Shin-ichiro; Ikezaki, Kiyomi; Akutsu, Atsushi; Harada, Masahide; Takada, Hiroshi; Futakawa, Masatoshi

2012-03-01

This report investigates the behavior, damage and restoration of each component in a neutron source station of the Materials and Life Science Experimental Facility (MLF) of J-PARC at the time of the Great East Japan Earthquake (M9.0) and verified the safety design for emergency accidents in the neutron source station. The neutron source station of the MLF at the J-PARC generates neutrons by injecting proton beams into a mercury target, and supplies to user experimental apparatuses. It consists of the mercury target, three moderators filled with supercritical hydrogen, reflectors, water cooling shields, a vessel filled with helium gas, neutron beam shutters, biological-shields and so on. In case of loss of their external electric power supply, a control function for the source station is kept by an emergency power supply. According to interlock sequences in an emergency, a signal for terminating the beam operation is transmitted, the circulators shut down automatically, and the hydrogen gas is released out of the building. On March 11 in 2011, strong shocks caused by the earthquake were observed all over Ibaraki prefecture. At the date, a status of the source station was ready for the restart of beam operation. In the MLF, after strong quakes were detected at the several instruments, the external power supply was lost, all of the circulators shut down automatically, and the hydrogen gas was released. The leakages of mercury, hydrogen and radio-activation gases did not occur. While, the quakes made gaps between the shield blocks and ruptured external pipe lines for compressed air and water by subsidence around the building. But significant damages to the components were not found though the pressure drop of compressed air lines influenced on the mercury target trolley lock system and pneumatic operation values. These results substantiated the validity of the safety design for emergency accidents in the neutron source station in the MLF, and suggested several points

INFLUENCE OF DIFFERENT SOURCES OF WATER FOR IRRIGATION ON PEPPER (Capsicum annuum L. YIELD IN GLASSHOUSE CONDITIONS

Directory of Open Access Journals (Sweden)

Jasna Šoštarić

2002-06-01

Full Text Available The aim of this paper was to determine the influence of different sources of water used for irrigation on the yield of pepper hybrids Cecil F1 and Bianca F1 in the early glasshouse production for the period 1998 - 2000 in the controlled glasshouse conditions in «D.G. – PROMET», Magadenovac, Croatia. Lagoon water and well water were two main sources of water used for irrigation in this experiment. Drip irrigation system was applied for pepper production. In comparison to lagoon water, chemical analyses of well water have shown increased values of the following elements: EC, sodium, potassium, calcium, chlorine, magnesium, bicarbonate, sulphate, iron and boron. Temperature of well water was lower than the allowed minimum and therefore had direct influence on the yield decrease. Consequently, areas which have been irrigated by well water have had problems with accumulation of slime and blocking of sprinklers, disturbed soil structure, fruit deformation and decreased crop yield. Statistical data analysis was conducted by the method of covariation three factorial trial (ABC with three repetitions for each treatment. The trial showed absolute difference regarding water efficiency of irrigation water from two sources, which has also been statistically determined (P<0,05. Furthermore, statistically justified difference in the average weight of the fruit of each investigated pepper hybrid (P<0,05 has been proven. Codependence of «water for irrigation» (A and «pepper hybrid» (B, i.e. (AB is statistically significant as well, and justified at the P<0,05 limit. This means that both pepper hybrids (Cecil F1 i Bianca F1 reacted differently to lagoon water and well water. Factor «year» (C has not proven to be statistically justified, and therefore does not have any significant influence on the crop yield due to controlled conditions in the glasshouse.

System for Informatics in the Molecular Pathology Laboratory: An Open-Source End-to-End Solution for Next-Generation Sequencing Clinical Data Management.

Science.gov (United States)

Kang, Wenjun; Kadri, Sabah; Puranik, Rutika; Wurst, Michelle N; Patil, Sushant A; Mujacic, Ibro; Benhamed, Sonia; Niu, Nifang; Zhen, Chao Jie; Ameti, Bekim; Long, Bradley C; Galbo, Filipo; Montes, David; Iracheta, Crystal; Gamboa, Venessa L; Lopez, Daisy; Yourshaw, Michael; Lawrence, Carolyn A; Aisner, Dara L; Fitzpatrick, Carrie; McNerney, Megan E; Wang, Y Lynn; Andrade, Jorge; Volchenboum, Samuel L; Furtado, Larissa V; Ritterhouse, Lauren L; Segal, Jeremy P

2018-04-24

Next-generation sequencing (NGS) diagnostic assays increasingly are becoming the standard of care in oncology practice. As the scale of an NGS laboratory grows, management of these assays requires organizing large amounts of information, including patient data, laboratory processes, genomic data, as well as variant interpretation and reporting. Although several Laboratory Information Systems and/or Laboratory Information Management Systems are commercially available, they may not meet all of the needs of a given laboratory, in addition to being frequently cost-prohibitive. Herein, we present the System for Informatics in the Molecular Pathology Laboratory, a free and open-source Laboratory Information System/Laboratory Information Management System for academic and nonprofit molecular pathology NGS laboratories, developed at the Genomic and Molecular Pathology Division at the University of Chicago Medicine. The System for Informatics in the Molecular Pathology Laboratory was designed as a modular end-to-end information system to handle all stages of the NGS laboratory workload from test order to reporting. We describe the features of the system, its clinical validation at the Genomic and Molecular Pathology Division at the University of Chicago Medicine, and its installation and testing within a different academic center laboratory (University of Colorado), and we propose a platform for future community co-development and interlaboratory data sharing. Copyright © 2018. Published by Elsevier Inc.

Molecular characterization of bacteriophages for microbial source tracking in Korea.

Science.gov (United States)

Lee, Jung Eun; Lim, Mi Young; Kim, Sei Yoon; Lee, Sunghee; Lee, Heetae; Oh, Hyun-Myung; Hur, Hor-Gil; Ko, Gwangpyo

2009-11-01

We investigated coliphages from various fecal sources, including humans and animals, for microbial source tracking in South Korea. Both somatic and F+-specific coliphages were isolated from 43 fecal samples from farms, wild animal habitats, and human wastewater plants. Somatic coliphages were more prevalent and abundant than F+ coliphages in all of the tested fecal samples. We further characterized 311 F+ coliphage isolates using RNase sensitivity assays, PCR and reverse transcription-PCR, and nucleic acid sequencing. Phylogenetic analyses were performed based on the partial nucleic acid sequences of 311 F+ coliphages from various sources. F+ RNA coliphages were most prevalent among geese (95%) and were least prevalent in cows (5%). Among the genogroups of F+ RNA coliphages, most F+ coliphages isolated from animal fecal sources belonged to either group I or group IV, and most from human wastewater sources were in group II or III. Some of the group I coliphages were present in both human and animal source samples. F+ RNA coliphages isolated from various sources were divided into two main clusters. All F+ RNA coliphages isolated from human wastewater were grouped with Qbeta-like phages, while phages isolated from most animal sources were grouped with MS2-like phages. UniFrac significance statistical analyses revealed significant differences between human and animal bacteriophages. In the principal coordinate analysis (PCoA), F+ RNA coliphages isolated from human waste were distinctively separate from those isolated from other animal sources. However, F+ DNA coliphages were not significantly different or separate in the PCoA. These results demonstrate that proper analysis of F+ RNA coliphages can effectively distinguish fecal sources.

Insights on the Optical Properties of Estuarine DOM – Hydrological and Biological Influences

Science.gov (United States)

Santos, Luísa; Pinto, António; Filipe, Olga; Cunha, Ângela; Santos, Eduarda B. H.

2016-01-01

Dissolved organic matter (DOM) in estuaries derives from a diverse array of both allochthonous and autochthonous sources. In the estuarine system Ria de Aveiro (Portugal), the seasonality and the sources of the fraction of DOM that absorbs light (CDOM) were inferred using its optical and fluorescence properties. CDOM parameters known to be affected by aromaticity and molecular weight were correlated with physical, chemical and meteorological parameters. Two sites, representative of the marine and brackish water zones of the estuary, and with different hydrological characteristics, were regularly surveyed along two years, in order to determine the major influences on CDOM properties. Terrestrial-derived compounds are the predominant source of CDOM in the estuary during almost all the year and the two estuarine zones presented distinct amounts, as well as absorbance and fluorescence characteristics. Freshwater inputs have major influence on the dynamics of CDOM in the estuary, in particular at the brackish water zone, where accounted for approximately 60% of CDOM variability. With a lower magnitude, the biological productivity also impacted the optical properties of CDOM, explaining about 15% of its variability. Therefore, climate changes related to seasonal and inter-annual variations of the precipitation amounts might impact the dynamics of CDOM significantly, influencing its photochemistry and the microbiological activities in estuarine systems. PMID:27195702

Ion sources for accelerators

International Nuclear Information System (INIS)

Alton, G.D.

1974-01-01

A limited review of low charge sate positive and negative ion sources suitable for accelerator use is given. A brief discussion is also given of the concepts underlying the formation and extraction of ion beams. Particular emphasis is placed on the technology of ion sources which use solid elemental or molecular compounds to produce vapor for the ionization process

HIERARCHICAL FRAGMENTATION OF THE ORION MOLECULAR FILAMENTS

International Nuclear Information System (INIS)

Takahashi, Satoko; Ho, Paul T. P.; Su, Yu-Nung; Teixeira, Paula S.; Zapata, Luis A.

2013-01-01

We present a high angular resolution map of the 850 μm continuum emission of the Orion Molecular Cloud-3 (OMC 3) obtained with the Submillimeter Array (SMA); the map is a mosaic of 85 pointings covering an approximate area of 6.'5 × 2.'0 (0.88 × 0.27 pc). We detect 12 spatially resolved continuum sources, each with an H 2 mass between 0.3-5.7 M ☉ and a projected source size between 1400-8200 AU. All the detected sources are on the filamentary main ridge (n H 2 ≥10 6 cm –3 ), and analysis based on the Jeans theorem suggests that they are most likely gravitationally unstable. Comparison of multi-wavelength data sets indicates that of the continuum sources, 6/12 (50%) are associated with molecular outflows, 8/12 (67%) are associated with infrared sources, and 3/12 (25%) are associated with ionized jets. The evolutionary status of these sources ranges from prestellar cores to protostar phase, confirming that OMC-3 is an active region with ongoing embedded star formation. We detect quasi-periodical separations between the OMC-3 sources of ≈17''/0.035 pc. This spatial distribution is part of a large hierarchical structure that also includes fragmentation scales of giant molecular cloud (≈35 pc), large-scale clumps (≈1.3 pc), and small-scale clumps (≈0.3 pc), suggesting that hierarchical fragmentation operates within the Orion A molecular cloud. The fragmentation spacings are roughly consistent with the thermal fragmentation length in large-scale clumps, while for small-scale cores it is smaller than the local fragmentation length. These smaller spacings observed with the SMA can be explained by either a helical magnetic field, cloud rotation, or/and global filament collapse. Finally, possible evidence for sequential fragmentation is suggested in the northern part of the OMC-3 filament.

Molecular markers for use in plant molecular breeding and germplasm evaluation

International Nuclear Information System (INIS)

Edwards, J.D.; McCouch, S.R.

2007-01-01

A number of molecular marker technologies exist, each with different advantages and disadvantages. When available, genome sequence allows for the development of greater numbers and higher quality molecular markers. When genome sequence is limited in the organism of interest, related species may serve as sources of molecular markers. Some molecular marker technologies combine the discovery and assay of DNA sequence variations, and therefore can be used in species without the need for prior sequence information and up-front investment in marker development. As a prerequisite for marker-assisted selection (MAS), there must be a known association between genetic markers and genes affecting the phenotype to be modified. Comparative databases can facilitate the transfer of knowledge of genetic marker-phenotype association across species so that discoveries in one species may be applied to many others. Further genomics research and reductions in the costs associated with molecular markers will continue to provide new opportunities to employ MAS. (author)

Influence of Carbon Sources and Electron Shuttles on Ferric Iron Reduction by Cellulomonas sp. Strain ES6

Energy Technology Data Exchange (ETDEWEB)

Erin K. Field; Robin Gerlach; Sridhar Viamajala; Laura K. Jennings; Alfred B. Cunningham; Brent M. Peyton; William A. Apel

2011-09-01

The reduction of hexavalent chromium, Cr(VI), to trivalent chromium, Cr(III), can be an important aspect of remediation processes at Department of Energy (DOE) and other contaminated sites. Cellulomonas species are found at several Cr(VI) contaminated and uncontaminated locations at the DOE site in Hanford, Washington. Members of this genus have demonstrated the ability to effectively reduce Cr(VI) to Cr(III) fermentatively and therefore play a potential role in hexavalent chromium remediation at this site. Batch studies were conducted with Cellulomonas sp. strain ES6 to assess the influence of various carbon sources, iron minerals, and electron shuttling compounds on Cr(VI) reduction. These chemical species are likely to be present in these terrestrial environments during in situ bioremediation. Results indicated that there were a number of interactions between these compounds that influenced Cr(VI) reduction rates. The type of carbon source as well as the type of electron shuttle present influenced Cr(VI) reduction rates. When an electron shuttle, such as anthraquinone-2,6-disulfonate (AQDS), was present in the system, reduction rates increased significantly. Biologically reduced AQDS (AHDS) reduced Cr(VI) almost instantaneously. The presence of iron minerals and their concentrations did not significantly influence Cr(VI) reduction rates. However, strain ES6 or AQDS could directly reduce surface-associated Fe(III) to Fe(II) which was capable of reducing Cr(VI) at a near instantaneous rate. These results suggest the rate limiting step in these systems is the transfer of electrons from strain ES6 to the intermediate or terminal electron acceptor whether that is Cr(VI), Fe(III), or AQDS.

How parental dietary behavior and food parenting practices affect children's dietary behavior. Interacting sources of influence?

Science.gov (United States)

Larsen, Junilla K; Hermans, Roel C J; Sleddens, Ester F C; Engels, Rutger C M E; Fisher, Jennifer O; Kremers, Stef P J

2015-06-01

Until now, the literatures on the effects of food parenting practices and parents' own dietary behavior on children's dietary behavior have largely been independent from one another. Integrating findings across these areas could provide insight on simultaneous and interacting influences on children's food intake. In this narrative review, we provide a conceptual model that bridges the gap between both literatures and consists of three main hypotheses. First, parental dietary behavior and food parenting practices are important interactive sources of influence on children's dietary behavior and Body Mass Index (BMI). Second, parental influences are importantly mediated by changes in the child's home food environment. Third, parenting context (i.e., parenting styles and differential parental treatment) moderates effects of food parenting practices, whereas child characteristics (i.e., temperament and appetitive traits) mainly moderate effects of the home food environment. Future studies testing (parts of) this conceptual model are needed to inform effective parent-child overweight preventive interventions. Copyright © 2015 Elsevier Ltd. All rights reserved.

In silico carbon molecular beam epitaxial growth of graphene on the h-BN substrate: carbon source effect on van der Waals epitaxy

Science.gov (United States)

Lee, Jonghoon; Varshney, Vikas; Park, Jeongho; Farmer, Barry L.; Roy, Ajit K.

2016-05-01

Against the presumption that hexagonal boron-nitride (h-BN) should provide an ideal substrate for van der Waals (vdW) epitaxy to grow high quality graphene films, carbon molecular beam epitaxy (CMBE) techniques using solid carbon sublimation have reported relatively poor quality of the graphene. In this article, the CMBE growth of graphene on the h-BN substrate is numerically studied in order to identify the effect of the carbon source on the quality of the graphene film. The carbon molecular beam generated by the sublimation of solid carbon source materials such as graphite and glassy carbon is mostly composed of atomic carbon, carbon dimers and carbon trimers. Therefore, the graphene film growth becomes a complex process involving various deposition characteristics of a multitude of carbon entities. Based on the study of surface adsorption and film growth characteristics of these three major carbon entities comprising graphite vapour, we report that carbon trimers convey strong traits of vdW epitaxy prone to high quality graphene growth, while atomic carbon deposition is a surface-reaction limited process accompanied by strong chemisorption. The vdW epitaxial behaviour of carbon trimers is found to be substantial enough to nucleate and develop into graphene like planar films within a nanosecond of high flux growth simulation, while reactive atomic carbons tend to impair the structural integrity of the crystalline h-BN substrate upon deposition to form an amorphous interface between the substrate and the growing carbon film. The content of reactive atomic carbons in the molecular beam is suspected to be the primary cause of low quality graphene reported in the literature. A possible optimization of the molecular beam composition towards the synthesis of better quality graphene films is suggested.Against the presumption that hexagonal boron-nitride (h-BN) should provide an ideal substrate for van der Waals (vdW) epitaxy to grow high quality graphene films, carbon

The Influence of Consumers€™ Tie Strength, Homophily and Source Credibility Toward Electronic Word-of-mouth (Ewom) Behavior

OpenAIRE

Oroh, Winda Lely

2014-01-01

Electronic word-of-mouth (eWOM) in the form of online product reviews can influence the sales of a product and/or service, and that informational€based determinants are very important to consumers when evaluating reviews. The purpose of this research is to analyze the influence of consumers€™ tie strength, homophily, and source credibility toward electronic word-of-mouth behavior (eWOM). This research used quantitative analyze. The method used to analyze the data is the Multiple Regression A...

Surface properties of poly(acrylonitrile) (PAN) precipitation polymerized in supercritical CO2 and the influence of the molecular weight.

Science.gov (United States)

Shen, Qing; Gu, Qing-Feng; Hu, Jian-Feng; Teng, Xin-Rong; Zhu, Yun-Feng

2003-11-15

In this paper, the surface properties, e.g., the total surface free energy and the related Lifshitz-van der Waals and Lewis acid-base components, of polyacrylonitrile (PAN) precipitation polymerized in supercritical CO(2) have been characterized. Moreover, the influence of molecular weight varying has been also investigated. Results show that the surface properties of PAN resulting from supercritical CO(2) are different from those obtained by the conventional method. Of these data, one important finding is that the supercritical CO(2) PAN seems to decrease the surface free energy with the increased molecular weight. Based on previous recorded NMR spectra of this PAN and especially compared to commercial PAN, such phenomena are discussed and ascribed to an increase of the H-bonds and a reduction of the isotacticity in the supercritical CO(2) condition for PAN.

Separation of mouse testis cells on a Celsep (TM) apparatus and their usefulness as a source of high molecular weight DNA or RNA

Science.gov (United States)

Wolgemuth, D. J.; Gizang-Ginsberg, E.; Engelmyer, E.; Gavin, B. J.; Ponzetto, C.

1985-01-01

The use of a self-contained unit-gravity cell separation apparatus for separation of populations of mouse testicular cells is described. The apparatus, a Celsep (TM), maximizes the unit area over which sedimentation occurs, reduces the amount of separation medium employed, and is quite reproducible. Cells thus isolated have been good sources for isolation of DNA, and notably, high molecular weight RNA.

Future Synchrotron Radiation Sources

CERN Document Server

Winick, Herman

2003-01-01

Sources of synchrotron radiation (also called synchrotron light) and their associated research facilities have experienced a spectacular growth in number, performance, and breadth of application in the past two to three decades. In 1978 there were eleven electron storage rings used as light sources. Three of these were small rings, all below 500 mega-electron volts (MeV), dedicated to this purpose; the others, with energy up to 5 giga-electron volts (GeV), were used parasitically during the operation of the ring for high energy physics research. In addition, at that time synchrotron radiation from nine cyclic electron synchrotrons, with energy up to 5 GeV, was also used parasitically. At present no cyclic synchrotrons are used, while about 50 electron storage rings are in operation around the world as fully dedicated light sources for basic and applied research in a wide variety of fields. Among these fields are structural molecular biology, molecular environmental science, materials, analytic chemistry, micr...

Ion-source dependence of the distributions of internuclear separations in 2-MeV HeH+ beams

International Nuclear Information System (INIS)

Kanter, E.P.; Gemmell, D.S.; Plesser, I.; Vager, Z.

1981-01-01

Experiments involving the use of MeV molecular-ion beams have yielded new information on atomic collisions in solids. A central part of the analyses of such experiments is a knowledge of the distribution of internuclear separations contained in the incident beam. In an attempt to determine how these distributions depend on ion-source gas conditions, we have studied foil-induced dissociations of H 2+ , H 3+ , HeH + , and OH 2+ ions. Although changes of ion-source gas compositions and pressure were found to have no measurable influence on the vibrational state populations of the beams reaching our target, for HeH + we found that beams produced in our rf source were vibrationally hotter than beams produced in a duoplasmatron. This was also seen in studies of neutral fragments and transmitted molecules

Genetic influences on attention deficit hyperactivity disorder symptoms from age 2 to 3: A quantitative and molecular genetic investigation

Directory of Open Access Journals (Sweden)

Saudino Kimberly J

2010-12-01

Full Text Available Abstract Background A twin study design was used to assess the degree to which additive genetic variance influences ADHD symptom scores across two ages during infancy. A further objective in the study was to observe whether genetic association with a number of candidate markers reflects results from the quantitative genetic analysis. Method We have studied 312 twin pairs at two time-points, age 2 and age 3. A composite measure of ADHD symptoms from two parent-rating scales: The Child Behavior Checklist/1.5 - 5 years (CBCL hyperactivity scale and the Revised Rutter Parent Scale for Preschool Children (RRPSPC was used for both quantitative and molecular genetic analyses. Results At ages 2 and 3 ADHD symptoms are highly heritable (h2 = 0.79 and 0.78, respectively with a high level of genetic stability across these ages. However, we also observe a significant level of genetic change from age 2 to age 3. There are modest influences of non-shared environment at each age independently (e2 = 0.22 and 0.21, respectively, with these influences being largely age-specific. In addition, we find modest association signals in DAT1 and NET1 at both ages, along with suggestive specific effects of 5-HTT and DRD4 at age 3. Conclusions ADHD symptoms are heritable at ages 2 and 3. Additive genetic variance is largely shared across these ages, although there are significant new effects emerging at age 3. Results from our genetic association analysis reflect these levels of stability and change and, more generally, suggest a requirement for consideration of age-specific genotypic effects in future molecular studies.

The influence of substrate source on the growth of Ralstonia eutropha, aiming at the production of polyhydroxyalkanoate

Directory of Open Access Journals (Sweden)

Marangoni C.

2001-01-01

Full Text Available With the aim of producing polyhydroxyalkanoates, a study of the influence of culture conditions (nitrogen and carbon sources and temperature on the growth of Ralstonia eutropha in stirred flasks was carried out and the use of some low-cost sources (hydrolyzed lactose, inverted sugar and corn steep liquor as evaluated. The best specific growth rate was obtained when inverted sugar was utilized as the substrate (mumax = 0.26 h-1. Two different phases in the assimilation of the carbon source were observed when hydrolyzed lactose was present, suggesting the assimilation first of glucose and then of galactose. To confirm the growth of Ralstonia eutropha using galactose as the only carbon source, experiments were carried out and the results showed that this bacterium is able to grow in the presence of this sugar at a growth rate of 0.13 h-1. The use of galactose by Ralstonia eutropha for its growth has not been reported in the literature until now. Corn steep liquor was found to be a viable alternative nitrogen source to ammonium sulfate. The results of experiments carried out at 30°C and 34°C were similar.

InAs/GaAs quantum dot lasers with InGaP cladding layer grown by solid-source molecular-beam epitaxy

International Nuclear Information System (INIS)

Yeh, N.-T.; Liu, W.-S.; Chen, S.-H.; Chiu, P.-C.; Chyi, J.-I.

2002-01-01

This letter presents the lasing properties of InAs/GaAs quantum dot lasers with InGaP cladding layers grown by solid-source molecular-beam epitaxy. These Al-free lasers exhibit a threshold current density of 138 A/cm 2 , an internal loss of 1.35 cm -1 , and an internal quantum efficiency of 31% at room temperature. At a low temperature, a very high characteristic temperature of 425 K and very low threshold current density of 30 A/cm 2 are measured

Influence of source geometry and materials on the transverse axis dosimetry of 192Ir brachytherapy sources

International Nuclear Information System (INIS)

Wang, Ruqing; Sloboda, Ron S.

1998-01-01

Monte Carlo dose rates on the transverse axis in water and air kerma strengths normalized to unit source activity were calculated for a low dose rate steel-clad 192 Ir source, MicroSelectron high dose rate and pulsed dose rate 192 Ir sources, and a VariSource high dose rate 192 Ir source, as well as five other hypothetical cylindrical 192 Ir source designs. Based on these results, the dependence of dose rate and air kerma strength on source geometry and materials was analysed. Source geometry and attenuation in the core material are the important factors determining basic dosimetric characteristics. Core length, h, only affects the dose rate on the transverse axis at radial distances r 192 Ir sources is suggested, and similarities and differences in the dose rate constant and radial dose function between these sources are explained. (author)

Influence of the iron source on the solar photo-Fenton degradation of different classes of organic compounds

Energy Technology Data Exchange (ETDEWEB)

Nogueira, R.F.P.; Silva, M.R.A.; Trovo, A.G. [UNESP, Sao Paulo State University, Institute of Chemistry of Araraquara, P.O. Box 355, 14800-970, Araraquara, SP (Brazil)

2005-10-01

In this work the influence of two different iron sources, Fe(NO{sub 3}){sub 3} and complexed ferrioxalate (FeOx), on the degradation efficiency of 4-chlorophenol (4CP), malachite green, formaldehyde, dichloroacetic acid (DCA) and the commercial products of the herbicides diuron and tebuthiuron was studied. The oxidation of 4CP, DCA, diuron and tebuthiuron shows a strong dependence on the iron source. While the 4CP degradation is favored by the use of Fe(NO{sub 3}){sub 3}, the degradation of DCA and the herbicides diuron and tebuthiuron is most efficient when ferrioxalate is used. On the other hand, the degradation of malachite green and formaldehyde is not very influenced by the iron source showing only a slight improvement when ferrioxalate is used. In the case of formaldehyde, DCA, diuron and tebuthiuron, despite of the additional carbon introduced by the use of ferrioxalate, higher mineralization percentages were observed, confirming the beneficial effect of ferrioxalate on the degradation of these compounds. The degradation of tebuthiuron was studied in detail using a shallow pond type solar flow reactor of 4.5L capacity and 4.5cm solution depth. Solar irradiation of tebuthiuron at a flow rate of 9Lh{sup -1}, in the presence of 10.0mmolL{sup -1} H{sub 2}O{sub 2} and 1.0mmolL{sup -1} ferrioxalate resulted in complete conversion of this herbicide and 70% total organic carbon removal. (author)

Factors influencing source separation intention and willingness to pay for improving waste management in Bangkok, Thailand

Directory of Open Access Journals (Sweden)

Sujitra Vassanadumrongdee

2018-03-01

Full Text Available Source separation for recycling has been recognized as a way to achieve sustainable municipal solid waste (MSW management. However, most developing countries including Thailand have been facing with lack of recycling facilities and low level of source separation practice. By employing questionnaire surveys, this study investigated Bangkok residents' source separation intention and willingness to pay (WTP for improving MSW service and recycling facilities (n = 1076. This research extended the theory of planned behavior to explore the effects of both internal and external factors. The survey highlighted perceived inconvenience and mistrust on MSW collection being major barriers to carrying out source separation in Bangkok. Promoting source separation at workplace may possibly create spill-over effect to people's intention to recycle their waste at home. Both subjective norms and knowledge on MSW situation were found to be a positive correlation with Bangkok residents' source separation intention and WTP (p < 0.001. Besides, the average WTP values are higher than the existing rate of waste collection service, which shows that Bangkok residents have preference for recycling programs. However, the WTP figures are still much lower than the average MSW management cost. These findings suggest that Bangkok Metropolitan Administration targets improving people knowledge on waste problems that could have adverse impact on the economy and well-being of Bangkok residents and improve its MSW collection service as these factors have positive influence on residents' WTP.

Determination of phospholipids in soybean lecithin samples via the phosphorus monoxide molecule by high-resolution continuum source graphite furnace molecular absorption spectrometry.

Science.gov (United States)

Pires, Laís N; Brandão, Geovani C; Teixeira, Leonardo S G

2017-06-15

This paper presents a method for determining phospholipids in soybean lecithin samples by phosphorus determination using high-resolution continuum source graphite furnace molecular absorption spectrometry (HR-CS GF MAS) via molecular absorption of phosphorus monoxide. Samples were diluted in methyl isobutyl ketone. The best conditions were found to be 213.561nm with a pyrolysis temperature of 1300°C, a volatilization temperature of 2300°C and Mg as a chemical modifier. To increase the analytical sensitivity, measurement of the absorbance signal was obtained by summing molecular transition lines for PO surrounding 213nm: 213.561, 213.526, 213.617 and 213.637nm. The limit of detection was 2.35mgg -1 and the precision, evaluated as relative standard deviation (RSD), was 2.47% (n=10) for a sample containing 2.2% (w/v) phosphorus. The developed method was applied for the analysis of commercial samples of soybean lecithin. The determined concentrations of phospholipids in the samples varied between 38.1 and 45% (w/v). Copyright © 2017 Elsevier Ltd. All rights reserved.

Gas flow parameter determination by molecular beam method

International Nuclear Information System (INIS)

Zarvin, A.E.; Sharafutdinov, R.G.

1977-01-01

This paper describes a molecular-beam system intended for studying nonequilibrium processes in supersonic rarefied gas flows. The system represented is a small molecular beam source placed inside the low intensity wind tunnel of the Institute of Thermophysics, Siberian Branch of the USSR Academy of Sciences. The time-of-flight method is used for measuring molecular velocity distribution functions on molecular beam axis. (Auth.)

New sources and instrumentation for neutrons in biology

DEFF Research Database (Denmark)

Teixeira, S. C. M.; Zaccai, G.; Ankner, J.

2008-01-01

Neutron radiation offers significant advantages for the study of biological molecular structure and dynamics. A broad and significant effort towards instrumental and methodological development to facilitate biology experiments at neutron sources worldwide is reviewed.......Neutron radiation offers significant advantages for the study of biological molecular structure and dynamics. A broad and significant effort towards instrumental and methodological development to facilitate biology experiments at neutron sources worldwide is reviewed....

Chemical kinetics modeling of the influence of molecular structure on shock tube ignition delay

International Nuclear Information System (INIS)

Westbrook, C.K.; Pitz, W.J.

1985-07-01

The current capabilities of kinetic modeling of hydrocarbon oxidation in shock waves are discussed. The influence of molecular size and structure on ignition delay times are stressed. The n-paraffin fuels from CH 4 to n-C 5 H 12 are examined under shock tube conditions, as well as the branched chain fuel isobutane, and the computed results are compared with available experimental data. The modeling results show that it is important in the reaction mechanism to distinguish between abstraction of primary, secondary and tertiary H atom sites from the fuel molecule. This is due to the fact that both the rates and the product distributions of the subsequent alkyl radical decomposition reactions depend on which H atoms were abstracted. Applications of the reaction mechanisms to shock tube problems and to other practical problems such as engine knock are discussed

Heroin-related overdose: The unexplored influences of markets, marketing and source-types in the United States

Science.gov (United States)

Mars, Sarah G.; Fessel, Jason N.; Bourgois, Philippe; Montero, Fernando; Karandinos, George; Ciccarone, Daniel

2015-01-01

Heroin overdose, more accurately termed ‘heroin-related overdose’ due to the frequent involvement of other drugs, is the leading cause of mortality among regular heroin users. (Degenhardt et al., 2010) Heroin injectors are at greater risk of hospital admission for heroin-related overdose (HOD) in the eastern United States where Colombian-sourced powder heroin is sold than in the western US where black ‘tar’ heroin predominates. (Unick et al., 2014) This paper examines under-researched influences on HOD, both fatal and non-fatal, using data from a qualitative study of injecting drug users of black tar heroin in San Francisco and powder heroin in Philadelphia Data were collected through in-depth, semi-structured interviews carried out in 2012 that were conducted against a background of longer-term participant-observation, ethnographic studies of drug users and dealers in Philadelphia (2007–12) and of users in San Francisco (1994–2007, 2012). Our findings suggest three types of previously unconsidered influences on overdose risk that arise both from structural socio-economic factors and from the physical properties of the heroin source-types: 1) retail market structure including information flow between users; 2) marketing techniques such as branding, free samples and pricing and 3) differences in the physical characteristics of the two major heroin source forms and how they affect injecting techniques and vascular health. Although chosen for their contrasting source-forms, we found that the two cities have contrasting dominant models of drug retailing: San Francisco respondents tended to buy through private dealers and Philadelphia respondents frequented an open-air street market where heroin is branded and free samples are distributed, although each city included both types of drug sales. These market structures and marketing techniques shape the availability of information regarding heroin potency and its dissemination among users who tend to seek out

Heroin-related overdose: The unexplored influences of markets, marketing and source-types in the United States.

Science.gov (United States)

Mars, Sarah G; Fessel, Jason N; Bourgois, Philippe; Montero, Fernando; Karandinos, George; Ciccarone, Daniel

2015-09-01

Heroin overdose, more accurately termed 'heroin-related overdose' due to the frequent involvement of other drugs, is the leading cause of mortality among regular heroin users. (Degenhardt et al., 2010) Heroin injectors are at greater risk of hospital admission for heroin-related overdose (HOD) in the eastern United States where Colombian-sourced powder heroin is sold than in the western US where black 'tar' heroin predominates. (Unick et al., 2014) This paper examines under-researched influences on HOD, both fatal and non-fatal, using data from a qualitative study of injecting drug users of black tar heroin in San Francisco and powder heroin in Philadelphia Data were collected through in-depth, semi-structured interviews carried out in 2012 that were conducted against a background of longer-term participant-observation, ethnographic studies of drug users and dealers in Philadelphia (2007-12) and of users in San Francisco (1994-2007, 2012). Our findings suggest three types of previously unconsidered influences on overdose risk that arise both from structural socio-economic factors and from the physical properties of the heroin source-types: 1) retail market structure including information flow between users; 2) marketing techniques such as branding, free samples and pricing and 3) differences in the physical characteristics of the two major heroin source forms and how they affect injecting techniques and vascular health. Although chosen for their contrasting source-forms, we found that the two cities have contrasting dominant models of drug retailing: San Francisco respondents tended to buy through private dealers and Philadelphia respondents frequented an open-air street market where heroin is branded and free samples are distributed, although each city included both types of drug sales. These market structures and marketing techniques shape the availability of information regarding heroin potency and its dissemination among users who tend to seek out the

Source-constrained retrieval influences the encoding of new information.

Science.gov (United States)

Danckert, Stacey L; MacLeod, Colin M; Fernandes, Myra A

2011-11-01

Jacoby, Shimizu, Daniels, and Rhodes (Psychonomic Bulletin & Review, 12, 852-857, 2005) showed that new words presented as foils among a list of old words that had been deeply encoded were themselves subsequently better recognized than new words presented as foils among a list of old words that had been shallowly encoded. In Experiment 1, by substituting a deep-versus-shallow imagery manipulation for the levels-of-processing manipulation, we demonstrated that the effect is robust and that it generalizes, also occurring with a different type of encoding. In Experiment 2, we provided more direct evidence for context-related encoding during tests of deeply encoded words, showing enhanced priming for foils presented among deeply encoded targets when participants made the same deep-encoding judgments on those items as had been made on the targets during study. In Experiment 3, we established that the findings from Experiment 2 are restricted to this specific deep judgment task and are not a general consequence of these foils being associated with deeply encoded items. These findings provide support for the source-constrained retrieval hypothesis of Jacoby, Shimizu, Daniels, and Rhodes: New information can be influenced by how surrounding items are encoded and retrieved, as long as the surrounding items recruit a coherent mode of processing.

Glutamate excitoxicity is the key molecular mechanism which is influenced by body temperature during the acute phase of brain stroke.

Science.gov (United States)

Campos, Francisco; Pérez-Mato, María; Agulla, Jesús; Blanco, Miguel; Barral, David; Almeida, Angeles; Brea, David; Waeber, Christian; Castillo, José; Ramos-Cabrer, Pedro

2012-01-01

Glutamate excitotoxicity, metabolic rate and inflammatory response have been associated to the deleterious effects of temperature during the acute phase of stroke. So far, the association of temperature with these mechanisms has been studied individually. However, the simultaneous study of the influence of temperature on these mechanisms is necessary to clarify their contributions to temperature-mediated ischemic damage. We used non-invasive Magnetic Resonance Spectroscopy to simultaneously measure temperature, glutamate excitotoxicity and metabolic rate in the brain in animal models of ischemia. The immune response to ischemia was measured through molecular serum markers in peripheral blood. We submitted groups of animals to different experimental conditions (hypothermia at 33°C, normothermia at 37°C and hyperthermia at 39°C), and combined these conditions with pharmacological modulation of glutamate levels in the brain through systemic injections of glutamate and oxaloacetate. We show that pharmacological modulation of glutamate levels can neutralize the deleterious effects of hyperthermia and the beneficial effects of hypothermia, however the analysis of the inflammatory response and metabolic rate, demonstrated that their effects on ischemic damage are less critical than glutamate excitotoxity. We conclude that glutamate excitotoxicity is the key molecular mechanism which is influenced by body temperature during the acute phase of brain stroke.

Determination of sulfur in coal and ash slurry by high-resolution continuum source electrothermal molecular absorption spectrometry

Energy Technology Data Exchange (ETDEWEB)

Nakadi, Flávio V.; Rosa, Lilian R.; Veiga, Márcia A.M.S. da, E-mail: mamsveiga@ffclrp.usp.br

2013-10-01

We propose a procedure for the determination of sulfur in coal slurries by high resolution continuum source electrothermal molecular absorption spectrometry. The slurry, whose concentration is 1 mg mL{sup −1}, was prepared by mixing 50 mg of the sample with 5% v/v nitric acid and 0.04% m/v Triton X-100 and was homogenized manually. It sustained good stability. The determination was performed via CS molecular absorption at 257.592 nm, and the optimized vaporization temperature was 2500 °C. The accuracy of the method was ensured by analysis of certified reference materials SRM 1632b (trace elements in coal) and SRM 1633b (coal fly ash) from the National Institute of Standards and Technology, using external calibration with aqueous standards prepared in the same medium and used as slurry. We achieved good agreement with the certified reference materials within 95% confidence interval, LOD of 0.01% w/w, and RSD of 6%, which confirms the potential of the proposed method. - Highlights: • HR-CS ET MAS as a technique to determine sulfur in coal and ash • Utilization of (coal and coal fly ash) slurry as a sample preparation • Simple and fast method, which uses external calibration with aqueous standards without chemical modifier.

Contributions to advances in blend pellet products (BPP) research on molecular structure and molecular nutrition interaction by advanced synchrotron and globar molecular (Micro)spectroscopy.

Science.gov (United States)

Guevara-Oquendo, Víctor H; Zhang, Huihua; Yu, Peiqiang

2018-04-13

To date, advanced synchrotron-based and globar-sourced techniques are almost unknown to food and feed scientists. There has been little application of these advanced techniques to study blend pellet products at a molecular level. This article aims to provide recent research on advanced synchrotron and globar vibrational molecular spectroscopy contributions to advances in blend pellet products research on molecular structure and molecular nutrition interaction. How processing induced molecular structure changes in relation to nutrient availability and utilization of the blend pellet products. The study reviews Utilization of co-product components for blend pellet product in North America; Utilization and benefits of inclusion of pulse screenings; Utilization of additives in blend pellet products; Application of pellet processing in blend pellet products; Conventional evaluation techniques and methods for blend pellet products. The study focus on recent applications of cutting-edge vibrational molecular spectroscopy for molecular structure and molecular structure association with nutrient utilization in blend pellet products. The information described in this article gives better insight on how advanced molecular (micro)spectroscopy contributions to advances in blend pellet products research on molecular structure and molecular nutrition interaction.

HEC influence on cement hydration measured by conductometry

OpenAIRE

Pourchez , Jérémie; Grosseau , Philippe; Guyonnet , René; Ruot , Bertrand

2006-01-01

International audience; Cellulose ethers are of universal use in factory-made mortars, though their influences on mortar properties at a molecular scale are poorly understood. Recent studies dealt with the influence of hydroxyethylmethyl cellulose (HEMC) and hydroxypropylmethyl cellulose (HPMC) molecular parameters on cement hydration. It was concluded that the degree of substitution is the most relevant factor on cement hydration kinetics, contrary to the molecular weight. Nevertheless, the ...

A double-stage pulsed discharge fluorine atom beam source

International Nuclear Information System (INIS)

Ren Zefeng; Qiu Minghui; Che Li; Dai Dongxu; Wang Xiuyan; Yang Xueming

2006-01-01

Molecular-beam intensity and speed ratio are two major limiting factors in many molecular-beam experiments. This article reports a high-intensity, high-speed-ratio, pulsed supersonic fluorine atom beam source using a double-stage discharge beam source. Its performance is indicated by the high-resolution time-of-flight spectrum in the crossed beam experiment of F( 2 P)+para-H 2

The influence of poly(acrylic) acid number average molecular weight and concentration in solution on the compressive fracture strength and modulus of a glass-ionomer restorative.

LENUS (Irish Health Repository)

Dowling, Adam H

2011-06-01

The aim was to investigate the influence of number average molecular weight and concentration of the poly(acrylic) acid (PAA) liquid constituent of a GI restorative on the compressive fracture strength (σ) and modulus (E).

Influence of fission product transport on delayed neutron precursors and decay heat sources in LMFBR accidents

International Nuclear Information System (INIS)

Apperson, C.E. Jr.

1981-01-01

A method is presented for studying the influence of fission product transpot on delayed neutron precursors and decay heat sources during Liquid Metal Fast Breeder Reactor (LMFBR) unprotected accidents. The model represents the LMFBR core as a closed homogeneous cell. Thermodynamic phase equilibrium theory is used to predict fission product mobility. Reactor kinetics behavior is analyzed by an extension of point kinetics theory. Group dependent delayed neutron precursor and decay heat source retention factors, which represent the fraction of each group retained in the fuel, are developed to link the kinetics and thermodynamics analysis. Application of the method to a highly simplified model of an unprotected loss-of-flow accident shows a time delay on the order of 10 ms is introduced in the predisassembly power history if fission product motion is considered when compared to the traditional transient solution. The post-transient influence of fission product transport calculated by the present model is a 24 percent reduction in the decay heat level in the fuel material which is similar to traditional approximations. Isotopes of the noble gases, Kr and Xe, and the elements I and Br are shown to be very mobile and are responsible for a major part of the observed effects. Isotopes of the elements Cs, Se, Rb, and Te were found to be moderately mobile and contribute to a lesser extent to the observed phenomena. These results obtained from the application of the described model confirm the initial hypothesis that sufficient fission product transport can occur to influence a transient. For these reasons, it is concluded that extension of this model into a multi-cell transient analysis code is warranted

Influences of source condition and dissolution on bubble plume in a stratified environment

Science.gov (United States)

Chu, Shigan; Prosperetti, Andrea

2017-11-01

A cross-sectionally averaged model is used to study a bubble plume rising in a stratified quiescent liquid. Scaling analyses for the peel height, at which the plume momentum vanishes, and the neutral height, at which its average density equals the ambient density, are presented. Contrary to a widespread practice in the literature, it is argued that the neutral height cannot be identified with the experimentally reported intrusion height. Recognizing this difference provides an explanation of the reason why the intrusion height is found so frequently to lie so much above predictions, and brings the theoretical results in line with observations. The mathematical model depends on three dimensionless parameters, some of which are related to the inlet conditions at the plume source. Their influence on the peel and neutral heights is illustrated by means of numerical results. Aside from the source parameters, we incorporate dissolution of bubbles and the corresponding density change of plume into the model. Contrary to what's documented in literature, density change of plume due to dissolution plays an important role in keeping the total buoyancy of plume, thus alleviating the rapid decrease of peel height because of dissolution.

Molecular detection of pathogens in water--the pros and cons of molecular techniques.

Science.gov (United States)

Girones, Rosina; Ferrús, Maria Antonia; Alonso, José Luis; Rodriguez-Manzano, Jesus; Calgua, Byron; Corrêa, Adriana de Abreu; Hundesa, Ayalkibet; Carratala, Anna; Bofill-Mas, Sílvia

2010-08-01

Pollution of water by sewage and run-off from farms produces a serious public health problem in many countries. Viruses, along with bacteria and protozoa in the intestine or in urine are shed and transported through the sewer system. Even in highly industrialized countries, pathogens, including viruses, are prevalent throughout the environment. Molecular methods are used to monitor viral, bacterial, and protozoan pathogens, and to track pathogen- and source-specific markers in the environment. Molecular techniques, specifically polymerase chain reaction-based methods, provide sensitive, rapid, and quantitative analytical tools with which to study such pathogens, including new or emerging strains. These techniques are used to evaluate the microbiological quality of food and water, and to assess the efficiency of virus removal in drinking and wastewater treatment plants. The range of methods available for the application of molecular techniques has increased, and the costs involved have fallen. These developments have allowed the potential standardization and automation of certain techniques. In some cases they facilitate the identification, genotyping, enumeration, viability assessment, and source-tracking of human and animal contamination. Additionally, recent improvements in detection technologies have allowed the simultaneous detection of multiple targets in a single assay. However, the molecular techniques available today and those under development require further refinement in order to be standardized and applicable to a diversity of matrices. Water disinfection treatments may have an effect on the viability of pathogens and the numbers obtained by molecular techniques may overestimate the quantification of infectious microorganisms. The pros and cons of molecular techniques for the detection and quantification of pathogens in water are discussed. (c) 2010 Elsevier Ltd. All rights reserved.

Emission ratio and isotopic signatures of molecular hydrogen emissions from tropical biomass burning

Science.gov (United States)

Haumann, F. A.; Batenburg, A. M.; Pieterse, G.; Gerbig, C.; Krol, M. C.; Röckmann, T.

2013-09-01

In this study, we identify a biomass-burning signal in molecular hydrogen (H2) over the Amazonian tropical rainforest. To quantify this signal, we measure the mixing ratios of H2 and several other species as well as the H2 isotopic composition in air samples that were collected in the BARCA (Balanço Atmosférico Regional de Carbono na Amazônia) aircraft campaign during the dry season. We derive a relative H2 emission ratio with respect to carbon monoxide (CO) of 0.31 ± 0.04 ppb ppb-1 and an isotopic source signature of -280 ± 41‰ in the air masses influenced by tropical biomass burning. In order to retrieve a clear source signal that is not influenced by the soil uptake of H2, we exclude samples from the atmospheric boundary layer. This procedure is supported by data from a global chemistry transport model. The ΔH2 / ΔCO emission ratio is significantly lower than some earlier estimates for the tropical rainforest. In addition, our results confirm the lower values of the previously conflicting estimates of the H2 isotopic source signature from biomass burning. These values for the emission ratio and isotopic source signatures of H2 from tropical biomass burning can be used in future bottom-up and top-down approaches aiming to constrain the strength of the biomass-burning source for H2. Hitherto, these two quantities relied only on combustion experiments or on statistical relations, since no direct signal had been obtained from in-situ observations.

Toward a Model of Sources of Influence in Online Education: Cognitive Learning and the Effects of Web 2.0

Science.gov (United States)

Carr, Caleb T.; Zube, Paul; Dickens, Eric; Hayter, Carolyn A.; Barterian, Justin A.

2013-01-01

To explore the integration of education processes into social media, we tested an initial model of student learning via interactive web tools and theorized three sources of influence: interpersonal, intrapersonal, and masspersonal. Three-hundred thirty-seven students observed an online lecture and then completed a series of scales. Structural…

Investigation of the Influence of PLA Molecular Structure on the Crystalline Forms (α’ and α and Mechanical Properties of Wet Spinning Fibres

Directory of Open Access Journals (Sweden)

Michał Puchalski

2017-01-01

Full Text Available In this paper, the influence of the molecular structure of polylactide (PLA—characterised by its molar mass and content of d-lactide isomer—on the molecular ordering and α’–α form transition during fibre manufacturing by the wet spinning method is described. Fibres were studied by wide-angle X-ray diffraction (WAXD and differential scanning calorimetry (DSC. Additionally, the physical and mechanical properties of the fibres were determined. This study also examines the preliminary molecular ordering and crystallisation of PLA fibres at various draw ratios. The performed experiments clearly show the dependence of the molecular ordering of PLA on the molar mass and d-lactide content during the wet spinning process. The fibres manufactured from PLA with the lowest content of d-lactide and the lowest molar mass were characterised by a higher tendency for crystallisation and a higher possibility to undergo the disorder-to-order phase transition (α’ to α form. The structural changes in PLA explain the observed changes in the physical and mechanical properties of the obtained fibres.

Influence of carbon source and inoculum type on anaerobic biomass adhesion on polyurethane foam in reactors fed with acid mine drainage.

Science.gov (United States)

Rodriguez, Renata P; Zaiat, Marcelo

2011-04-01

This paper analyzes the influence of carbon source and inoculum origin on the dynamics of biomass adhesion to an inert support in anaerobic reactors fed with acid mine drainage. Formic acid, lactic acid and ethanol were used as carbon sources. Two different inocula were evaluated: one taken from an UASB reactor and other from the sediment of a uranium mine. The values of average colonization rates and the maximum biomass concentration (C(max)) were inversely proportional to the number of carbon atoms in each substrate. The highest C(max) value (0.35 g TVS g(-1) foam) was observed with formic acid and anaerobic sludge as inoculum. Maximum colonization rates (v(max)) were strongly influenced by the type of inoculum when ethanol and lactic acid were used. For both carbon sources, the use of mine sediment as inoculum resulted in a v(max) of 0.013 g TVS g(-1) foam day(-1), whereas 0.024 g TVS g(-1) foam day(-1) was achieved with anaerobic sludge. Copyright © 2011 Elsevier Ltd. All rights reserved.

Determination of sulfur in food by high resolution continuum source flame molecular absorption spectrometry

Science.gov (United States)

Zambrzycka, Elżbieta; Godlewska-Żyłkiewicz, Beata

2014-11-01

In the present work, a fast, simple and sensitive analytical method for determination of sulfur in food and beverages by high resolution continuum source flame molecular absorption spectrometry was developed. The determination was performed via molecular absorption of carbon monosulfide, CS. Different CS rotational lines (257.959 nm, 258.033 nm, 258.055 nm), number of pixels and types of standard solution of sulfur, namely: sulfuric acid, sodium sulfate, ammonium sulfate, sodium sulfite, sodium sulfide, DL-cysteine, and L-cystine, were studied in terms of sensitivity, repeatability of results as well as limit of detection and limit of quantification. The best results were obtained for measurements of absorption of the CS molecule at 258.055 nm at the wavelength range covering 3 pixels and DL-cysteine in 0.2 mol L- 1 HNO3 solution as a calibration standard. Under optimized conditions the limit of detection and the limit of quantification achieved for sulfur were 10.9 mg L- 1 and 36.4 mg L- 1, respectively. The repeatability of the results expressed as relative standard deviation was typically beverage samples with added known amount of sulfur standard. The recovery of analyte from such samples was in the range of 93-105% with the repeatability in the range of 4.1-5.0%. The developed method was applied for the determination of sulfur in milk (194 ± 10 mg kg- 1), egg white (2188 ± 29 mg kg- 1), mineral water (31.0 ± 0.9 mg L- 1), white wine (260 ± 4 mg L- 1) and red wine (82 ± 2 mg L- 1), as well as in sample rich in ions, such as bitter mineral water (6900 ± 100 mg L- 1).

Changing of Bacteria Catalase Activity Under the Influence of Electro-Magnetic Radiation on a Frequency of Nitric Oxide Absorption and Radiation Molecular Spectrum

Directory of Open Access Journals (Sweden)

G.M. Shub

2009-09-01

Full Text Available The dynamics of catalase activity degree changing in Staphylococcus aureus, Escherichia coli and Pseudomonas aeruginosa is described under the influence of electro-magnetic radiation on a frequency of nitric oxide absorption and radiation molecular spectrum. The panoramic spectrometric measuring complex, developed in Central Scientific Research Institute of measuring equipment Public corporation, Saratov, was used while carrying out the research. Electromagnetic vibrations of extremely high frequencies were stimulated in this complex imitating the structure of nitric oxide absorption and radiation molecular spectrum. The growth of activity of the mentioned enzyme of the strains under research was detected. The most significant changes were observed under 60-minutes exposure.

Evaluation of the influence of source and spatial resolution of DEMs on derivative products used in landslide mapping

Directory of Open Access Journals (Sweden)

Rubini Mahalingam

2016-11-01

Full Text Available Landslides are a major geohazard, which result in significant human, infrastructure, and economic losses. Landslide susceptibility mapping can help communities plan and prepare for these damaging events. Digital elevation models (DEMs are one of the most important data-sets used in landslide hazard assessment. Despite their frequent use, limited research has been completed to date on how the DEM source and spatial resolution can influence the accuracy of the produced landslide susceptibility maps. The aim of this paper is to analyse the influence of spatial resolutions and source of DEMs on landslide susceptibility mapping. For this purpose, Advanced Spaceborne Thermal Emission and Reflection (ASTER, National Elevation Dataset (NED, and Light Detection and Ranging (LiDAR DEMs were obtained for two study sections of approximately 140 km2 in north-west Oregon. Each DEM was resampled to 10, 30, and 50 m and slope and aspect grids were derived for each resolution. A set of nine spatial databases was constructed using geoinformation science (GIS for each of the spatial resolution and source. Additional factors such as distance to river and fault maps were included. An analytical hierarchical process (AHP, fuzzy logic model, and likelihood ratio-AHP representing qualitative, quantitative, and hybrid landslide mapping techniques were used for generating landslide susceptibility maps. The results from each of the techniques were verified with the Cohen's kappa index, confusion matrix, and a validation index based on agreement with detailed landslide inventory maps. The spatial resolution of 10 m, derived from the LiDAR data-set showed higher predictive accuracy in all the three techniques used for producing landslide susceptibility maps. At a resolution of 10 m, the output maps based on NED and ASTER had higher misclassification compared to the LiDAR-based outputs. Further, the 30-m LiDAR output showed improved results over the 10-m NED and 10-m

Correlations and symmetry of interactions influence collective dynamics of molecular motors

International Nuclear Information System (INIS)

Celis-Garza, Daniel; Teimouri, Hamid; Kolomeisky, Anatoly B

2015-01-01

Enzymatic molecules that actively support many cellular processes, including transport, cell division and cell motility, are known as motor proteins or molecular motors. Experimental studies indicate that they interact with each other and they frequently work together in large groups. To understand the mechanisms of collective behavior of motor proteins we study the effect of interactions in the transport of molecular motors along linear filaments. It is done by analyzing a recently introduced class of totally asymmetric exclusion processes that takes into account the intermolecular interactions via thermodynamically consistent approach. We develop a new theoretical method that allows us to compute analytically all dynamic properties of the system. Our analysis shows that correlations play important role in dynamics of interacting molecular motors. Surprisingly, we find that the correlations for repulsive interactions are weaker and more short-range than the correlations for the attractive interactions. In addition, it is shown that symmetry of interactions affect dynamic properties of molecular motors. The implications of these findings for motor proteins transport are discussed. Our theoretical predictions are tested by extensive Monte Carlo computer simulations. (paper)

The influence of gamma radiation on the molecular weight and glass transition of PLLA and HAp/PLLA nanocomposite

International Nuclear Information System (INIS)

Milicevic, D.; Trifunovic, S.; Dojcilovic, J.; Ignjatovic, N.; Suljovrujic, E.

2010-01-01

The influence of gamma radiation on the molecular weight and glass transition behaviour of poly-L-lactide (PLLA) and hydroxyapatite/poly-L-lactide (HAp/PLLA) nanocomposite has been studied. Since PLLA exposed to high-energy radiation in the presence of air is prone to chain scission reactions and large degradation, changes in molecular weight were obtained by gel permeation chromatography (GPC). Alterations in the glass transition behaviour were investigated by differential scanning calorimetry (DSC). The apparent activation energy (ΔH*) for glass transition was determined on the basis of the heating rate dependence of the glass transition temperature (T g ). Our findings support the fact that chain scission is the main reason for the decrease of T g and ΔH* with the absorbed dose. Furthermore, more intensive chain scission degradation of PLLA was observed in HAp/PLLA and can only be ascribed to the presence of HAp nanoparticles. Consequently, initial differences in the glass transition temperature and/or apparent activation energy of PLLA and HAp/PLLA became more pronounced with absorbed dose. This study reveals that radiation-induced changes in molecular weight and glass transition temperature occur in a predictable and fairly accurate manner. Therefore, gamma radiation can be used not only for sterilization but also for tailoring desirable end-use properties of these biomaterials.

Influences of the molecular fuel structure on combustion reactions towards soot precursors in selected alkane and alkene flames.

Science.gov (United States)

Ruwe, Lena; Moshammer, Kai; Hansen, Nils; Kohse-Höinghaus, Katharina

2018-04-25

In this study, we experimentally investigate the high-temperature oxidation kinetics of n-pentane, 1-pentene and 2-methyl-2-butene (2M2B) in a combustion environment using flame-sampling molecular beam mass spectrometry. The selected C5 fuels are prototypes for linear and branched, saturated and unsaturated fuel components, featuring different C-C and C-H bond structures. It is shown that the formation tendency of species, such as polycyclic aromatic hydrocarbons (PAHs), yielded through mass growth reactions increases drastically in the sequence n-pentane fuel-dependent reaction sequences of the gas-phase combustion mechanism that provide explanations for the observed difference in the PAH formation tendency. First, we investigate the fuel-structure-dependent formation of small hydrocarbon species that are yielded as intermediate species during the fuel decomposition, because these species are at the origin of the subsequent mass growth reaction pathways. Second, we review typical PAH formation reactions inspecting repetitive growth sequences in dependence of the molecular fuel structure. Third, we discuss how differences in the intermediate species pool influence the formation reactions of key aromatic ring species that are important for the PAH growth process underlying soot formation. As a main result it was found that for the fuels featuring a C[double bond, length as m-dash]C double bond, the chemistry of their allylic fuel radicals and their decomposition products strongly influences the combination reactions to the initially formed aromatic ring species and as a consequence, the PAH formation tendency.

Observations of far-infrared molecular emission lines from the Orion molecular cloud

International Nuclear Information System (INIS)

Viscuso, P.J.

1986-01-01

The Orion Nebula has been the subject of intensive study for over one hundred years. Far-infrared (FIR) molecular line observations of CO in the shock region surrounding the infrared source IRc2 have suggested that the molecular hydrogen density in the shocked and post-shock gas is roughly 3 x 10 6 cm -3 . The temperature of this gas is on the order of 750-2000K. IRc2, like other nearby infrared sources within the Nebula, is thought to be a site of recent star formation. This object is apparently at the center of a massive bipolar molecular outflow of gas, which is producing a shock front where it meets the ambient molecular cloud surrounding IRc2. Study of such regions is important for the understanding of the chemical and physical processes that are involved in the formation of stars from molecular clouds. Recently, several far-infrared transitions among the low-lying levels of OH have been observed toward IRc2. OH is thought to be abundant, and it plays an important role in the chemical evolution of the shock and post-shock regions. The OH emission serves as a sensitive probe of the temperature and density for the shock-processed gas. A rigorous treatment of the radiative transfer of these measured transitions is performed using the escape probability formalism. From this analysis, the author determines the temperature of the OH-emitting region to be on the order of 40K. This suggests that the gas is part of the post-shock gas that has cooled sufficiently, most likely by way of radiative cooling by CO

Soft X-Ray Microscopy and Spectroscopy at the Molecular Environmental Science Beamline at the Advanced Light Source

Energy Technology Data Exchange (ETDEWEB)

Bluhm, Hendrik; Andersson, Klas J.; Araki, Tohru; Benzerara, Karim; Brown, Gordon E.; Dynes, Jay J.; Ghosal, Sutapa; Gilles, Mary K.; Hansen, Hans C.; Hemminger, J. C.; Hitchcock, Adam P.; Ketteler, Guido; Kilcoyne, Arthur L.; Kneedler, Eric M.; Lawrence, John R.; Leppard, Gary G.; Majzlam, Juraj; Mun, B. S.; Myneni, Satish C.; Nilsson, Anders R.; Ogasawara, Hirohito; Ogletree, D. F.; Pecher, Klaus H.; Salmeron, Miquel B.; Shuh, David K.; Tonner, Brian; Tyliszczak, Tolek; Warwick, Tony; Yoon, T. H.

2006-02-01

We present examples of the application of synchrotron-based spectroscopies and microscopies to environmentally-relevant samples. The experiments were performed at the Molecular Environmental Science beamline (11.0.2) at the Advanced Light Source, Lawrence Berkeley National Laboratory. Examples range from the study of water monolayers on Pt(111) single crystal surfaces using X-ray emission spectroscopy and the examination of alkali halide solution/water vapor interfaces using ambient pressure photoemission spectroscopy, to the investigation of actinides, river-water biofilms, Al-containing colloids and mineral-bacteria suspensions using scanning transmission X-ray spectromicroscopy. The results of our experiments show that spectroscopy and microscopy in the soft X-ray energy range are excellent tools for the investigation of environmentally relevant samples under realistic conditions, i.e. with water or water vapor present at ambient temperature.

Comparing molecular composition of dissolved organic matter in soil and stream water: Influence of land use and chemical characteristics.

Science.gov (United States)

Seifert, Anne-Gret; Roth, Vanessa-Nina; Dittmar, Thorsten; Gleixner, Gerd; Breuer, Lutz; Houska, Tobias; Marxsen, Jürgen

2016-11-15

Electrospray ionization Fourier transform ion cyclotron resonance mass spectrometry (ESI-FT-ICR-MS) was used to examine the molecular composition of dissolved organic matter (DOM) from soils under different land use regimes and how the DOM composition in the catchment is reflected in adjacent streams. The study was carried out in a small area of the Schwingbach catchment, an anthropogenic-influenced landscape in central Germany. We investigated 30 different soil water samples from 4 sites and different depths (managed meadow (0-5cm, 40-50cm), deciduous forest (0-5cm), mixed-coniferous forest (0-5cm) and agricultural land (0-5cm, 40-50cm)) and 8 stream samples. 6194 molecular formulae and their magnitude-weighted parameters ((O/C)w, (H/C)w, (N/C)w, (AI-mod)w, (DBE/C)w, (DBE/O)w, (DBE-O)w, (C#)w, (MW)w) were used to describe the molecular composition of the samples. The samples can be roughly divided in three groups. Group 1 contains samples from managed meadow 40-50cm and stream water, which are characterized by high saturation compared to samples from group 2 including agricultural samples and samples from the surface meadow (0-5cm), which held more nitrogen containing and aromatic compounds. Samples from both forested sites (group 3) are characterized by higher molecular weight and O/C ratio. Environmental parameters vary between sites and among these parameters pH and nitrate significantly affect chemical composition of DOM. Results indicate that most DOM in streams is of terrestrial origin. However, 120 molecular formulae were detected only in streams and not in any of the soil samples. These compounds share molecular formulae with peptides, unsaturated aliphatics and saturated FA-CHO/FA-CHOX. Compounds only found in soil samples are much more aromatic, have more double bonds and a much lower H/C ratio but higher oxygen content, which indicates the availability of fresh plant material and less microbial processed material compared to stream samples. Copyright �

Wood burning pollution in southern Chile: PM2.5 source apportionment using CMB and molecular markers.

Science.gov (United States)

Villalobos, Ana M; Barraza, Francisco; Jorquera, Héctor; Schauer, James J

2017-06-01

Temuco is a mid-size city representative of severe wood smoke pollution in southern Chile; i.e., ambient 24-h PM 2.5 concentrations have exceeded 150 μg/m 3 in the winter season and the top concentration reached 372 μg/m 3 in 2010. Annual mean concentrations have decreased but are still above 30 μg/m 3 . For the very first time, a molecular marker source apportionment of ambient organic carbon (OC) and PM 2.5 was conducted in Temuco. Primary resolved sources for PM 2.5 were wood smoke (37.5%), coal combustion (4.4%), diesel vehicles (3.3%), dust (2.2%) and vegetative detritus (0.7%). Secondary inorganic PM 2.5 (sulfates, nitrates and ammonium) contributed 4.8% and unresolved organic aerosols (generated from volatile emissions from incomplete wood combustion), including secondary organic aerosols, contributed 47.1%. Adding the contributions of unresolved organic aerosols to those from primary wood smoke implies that wood burning is responsible for 84.6% of the ambient PM 2.5 in Temuco. This predominance of wood smoke is ultimately due to widespread poverty and a lack of efficient household heating methods. The government has been implementing emission abatement policies but achieving compliance with ambient air quality standards for PM 2.5 in southern Chile remains a challenge. Copyright © 2017 Elsevier Ltd. All rights reserved.

A combined thermal dissociation and electron impact ionization source for RIB generation

International Nuclear Information System (INIS)

Alton, G.D.; Williams, C.

1995-01-01

The probability for simultaneously dissociating and efficiently ionizing the individual atomic constituents of molecular feed materials with conventional, hot-cathode, electron-impact ion sources is low and consequently, the ion beams from these sources often appear as mixtures of several molecular sideband beams. This fragmentation process leads to dilution of the intensity of the species of interest for RIB applications where beam intensity is at a premium. We have conceived an ion source that combines the excellent molecular dissociation properties of a thermal dissociator and the high ionization efficiency characteristics of an electron impact ionization source that will, in principle, overcome this handicap. The source concept will be evaluated as a potential candidate for use for RIB generation at the Holifield Radioactive Ion Beam Facility (HRIBF), now under construction at the Oak Ridge National Laboratory. The design features and principles of operation of the source are described in this article

Dietary Lipid Sources Influence Fatty Acid Composition in Tissue of Large Yellow Croaker (Larmichthys crocea by Regulating Triacylglycerol Synthesis and Catabolism at the Transcriptional Level.

Directory of Open Access Journals (Sweden)

Hong Qiu

Full Text Available An 8-week feeding trial was conducted to evaluate the effects of dietary lipid sources on growth performance, fatty acid composition, rate-limiting enzyme activities and gene expression related to lipid metabolism in large yellow croaker (Larmichthys crocea. Five iso-nitrogenous and iso-lipidic experimental diets were formulated to contain different lipid sources, such as fish oil (FO, soybean oil (SO, linseed oil (LO, rapeseed oil (RO and peanut oil (PO, respectively. Triplicate groups of 50 fish (initial weight 13.77±0.07g were stocked in 15 floating net cages (1.5m×1.5m×2.0m. Fish fed the diets containing RO and LO had lower weight gain and specific growth rates than those fed the FO, SO and PO diets. Survival, feed efficiency, protein efficiency ratio, hepatosomatic index, viscerasomatic index and condition factor were not significantly affected by different dietary lipid sources. Fish fed the diet containing FO had higher lipid content in whole body compared with the other groups, whereas fish fed the SO diet had the lowest muscle lipid content. Fatty acid profiles of muscle and liver reflected the fatty acid composition of the diets. Plasma glucose, triglyceride, and the enzymatic activity of aspartate aminotransferase and alanine aminotransferase were significantly influenced by different dietary lipid sources, while total protein, cholesterol, superoxide dismutase or malondialdehyde in plasma were not affected by the different dietary lipid sources. Fish fed the LO diet had lower adipose triglyceride lipase and fatty acid synthase activities in liver than those fed the diets containing FO and RO, while the LO diet resulted in the highest hepatic carnitine palmitoultransferase-1 activity. Hepatic gene relative expression of adipose triglyceride lipase and carnitine palmitoyltransferase-1 in fish fed PO diet was significantly higher than all other groups, whereas fish fed the SO and LO diets had lower relative expression levels of

Determination of boron isotope ratios by high-resolution continuum source molecular absorption spectrometry using graphite furnace vaporizers

Science.gov (United States)

Abad, Carlos; Florek, Stefan; Becker-Ross, Helmut; Huang, Mao-Dong; Heinrich, Hans-Joachim; Recknagel, Sebastian; Vogl, Jochen; Jakubowski, Norbert; Panne, Ulrich

2017-10-01

Boron isotope amount ratios n(10B)/n(11B) have been determined by monitoring the absorption spectrum of boron monohydride (BH) in a graphite furnace using high-resolution continuum source molecular absorption spectrometry (HR-CS-MAS). Bands (0 → 0) and (1 → 1) for the electronic transition X1Σ+ → A1Π were evaluated around wavelengths 433.1 nm and 437.1 nm respectively. Clean and free of memory effect molecular spectra of BH were recorded. In order to eliminate the memory effect of boron, a combination of 2% (v/v) hydrogen gas in argon and 1% trifluoromethane in argon, an acid solution of calcium chloride and mannitol as chemical modifiers was used. Partial least square regression (PLS) for analysis of samples and reference materials were applied. For this, a spectral library with different isotopes ratios for PLS regression was built. Results obtained around the 433.1 nm and 437.1 nm spectral regions are metrologically compatible with those reported by mass spectrometric methods. Moreover, for the evaluated region of 437 nm, an accuracy of 0.15‰ is obtained as the average deviation from the isotope reference materials. Expanded uncertainties with a coverage factor of k = 2 range between 0.15 and 0.44‰. This accuracy and precision are compatible with those obtained by mass spectrometry for boron isotope ratio measurements.

Relationship between THMs/NDMA formation potential and molecular weight of organic compounds for source and treated water in Shanghai, China.

Science.gov (United States)

An, Dong; Gu, Bin; Sun, Sainan; Zhang, Han; Chen, Yanan; Zhu, Huifeng; Shi, Jian; Tong, Jun

2017-12-15

Molecular weight (MW) distributions in source and treated water in Shanghai, China were investigated to understand the relationship between trihalomethanes formation potential/N-nitrosodimethylamine formation potential (THMFP/NDMAFP) and dissolved organic carbon (DOC) for different MW ranges (30KDa). The result of MW distributions in source water indicated a relationship between THMFP/NDMAFP and DOC such that DOC for 30KDa THMFP was totally removed whereas NDMA according to the results for treated water between DOC and NDMAFP (R 2 =0.94 and 0.93 for sand and GAC filtration, respectively). The results may provide researchers with targeted treatment strategies to destroy, remove, or reduce the occurrence of THMs and NDMA precursors. The findings presented in this study will be of great value in future work for selecting suitable drinking water treatment processes to minimize the formation of disinfection by-products using chlorine or chloramine disinfection. Copyright © 2017 Elsevier B.V. All rights reserved.

The impact of molecular emission in compositional depth profiling using Glow Discharge-Optical Emission Spectroscopy

International Nuclear Information System (INIS)

Bengtson, Arne

2008-01-01

The scope of this paper is to investigate and discuss how molecular emission can affect elemental analysis in glow discharge optical emission (GD-OES), particularly in compositional depth profiling (CDP) applications. Older work on molecular emission in glow discharges is briefly reviewed, and the nature of molecular emission spectra described. Work on the influence of hydrogen in the plasma, in particular elevated background due to a continuum spectrum, is discussed. More recent work from sputtering of polymers and other materials with a large content of light elements in a Grimm type source is reviewed, where substantial emission has been observed from several light diatomic molecules (CO, CH, OH, NH, C 2 ). It is discussed how the elevated backgrounds from such molecular emission can lead to significant analytical errors in the form of 'false' depth profile signals of several atomic analytical lines. Results from a recent investigation of molecular emission spectra from mixed gases in a Grimm type glow discharge are presented. An important observation is that dissociation and subsequent recombination processes occur, leading to formation of molecular species not present in the original plasma gas. Experimental work on depth profiling of a polymer coating and a thin silicate film, using a spectrometer equipped with channels for molecular emission lines, is presented. The results confirm that molecular emission gives rise to apparent depth profiles of elements not present in the sample. The possibilities to make adequate corrections for such molecular emission in CDP of organic coatings and very thin films are discussed

The impact of molecular emission in compositional depth profiling using Glow Discharge-Optical Emission Spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Bengtson, Arne [Corrosion and Metals Research Institute, Dr. Kristinas vaeg 48, Stockholm (Sweden)], E-mail: arne.bengtson@kimab.com

2008-09-15

The scope of this paper is to investigate and discuss how molecular emission can affect elemental analysis in glow discharge optical emission (GD-OES), particularly in compositional depth profiling (CDP) applications. Older work on molecular emission in glow discharges is briefly reviewed, and the nature of molecular emission spectra described. Work on the influence of hydrogen in the plasma, in particular elevated background due to a continuum spectrum, is discussed. More recent work from sputtering of polymers and other materials with a large content of light elements in a Grimm type source is reviewed, where substantial emission has been observed from several light diatomic molecules (CO, CH, OH, NH, C{sub 2}). It is discussed how the elevated backgrounds from such molecular emission can lead to significant analytical errors in the form of 'false' depth profile signals of several atomic analytical lines. Results from a recent investigation of molecular emission spectra from mixed gases in a Grimm type glow discharge are presented. An important observation is that dissociation and subsequent recombination processes occur, leading to formation of molecular species not present in the original plasma gas. Experimental work on depth profiling of a polymer coating and a thin silicate film, using a spectrometer equipped with channels for molecular emission lines, is presented. The results confirm that molecular emission gives rise to apparent depth profiles of elements not present in the sample. The possibilities to make adequate corrections for such molecular emission in CDP of organic coatings and very thin films are discussed.

Advances in the application of molecular microbiological methods in the oil and gas industry and links to microbiologically influenced corrosion

DEFF Research Database (Denmark)

Eckert, Rickard; Skovhus, Torben Lund

2018-01-01

While the oil and gas industry has witnessed increased applications of molecular microbiological methods (MMMs) for diagnosing and managing microbiologically influenced corrosion (MIC) in the past decade, the process for establishing clear links between microbiological conditions and corrosion...... mechanisms is still emerging. Different MMMs provide various types of information about microbial diversity, abundance, activity and function, all of which are quite different from the culture-based results that are familiar to oil and gas industry corrosion professionals. In addition, a multidisciplinary...

Influence of the datasets size on the stability of the LR in the lower region of the within source distribution

NARCIS (Netherlands)

Haraksim, Rudolf; Meuwly, Didier

2013-01-01

This article focuses on the statistical evaluation of the fingermark evidence using the likelihood ratio (LR) approach. It studies the influence of the quantity of data used to model the within (WS) and between (BS) source variability. The LR system built for the experiment uses an Automated

Effect of molecular interactions on retention and selectivity in reversed-phase liquid chromatography.

Science.gov (United States)

Szepesy, László

2002-06-25

The linear solvation energy relationships (LSERs) have been applied in the last years for description and prediction of retention and selectivity in reversed-phase liquid chromatography with good results. Widely different stationary phases have been compared and characterized by LSERs. In recent publications the influence of the type of the organic moderator and the composition of the mobile phase have also been described. However, the influence of the molecular properties of the solutes to be separated has never been discussed. According to the LSER model variation in retention factors (log k) with solute structure can be related to their potential for various intermolecular interactions. The retention factor is given as the sum of the terms of the LSER equation representing various types of molecular interactions. For this reason the influence of the structure and molecular properties of the solutes to be separated can also be investigated using the LSER equation. In this study we shall demonstrate how the specific molecular interactions influence chromatographic retention and selectivity. We intend to show that retention and selectivity depend on all participants of the system. In addition to the structure and properties of the stationary phase and the type and composition of the mobile phase the molecular properties of the solutes, characterized by the solvation parameters, will also influence the type and extent of the various molecular interactions governing retention and selectivity.

Production and Rheological Properties of Welan Gum Produced by Sphingomonas sp. ATCC 31555 with Different Nitrogen Sources.

Science.gov (United States)

Xu, Xiaopeng; Nie, Zuoming; Zheng, Zhiyong; Zhu, Li; Zhan, Xiaobei

2017-01-01

This study aimed to investigate the effect of nitrogen sources on the production and rheological properties of welan gum produced by Sphingomonas sp. ATCC 31555. Six different nitrogen sources were used for ATCC 31555 fermentation, and 2 of these were further analyzed due to their more positive influence on welan gum production and bacterial biomass. Bacterial biomass, welan gum yield, welan viscosity, molecular weight, monosaccharide composition, acyl content, and welan structure were analyzed. Welan gum production and the biomass concentration of ATCC 31555 were higher in media containing NaNO3 and beef extract. Welan viscosity decreased at higher temperatures of 30-90°C, and it increased with a higher welan concentration. In the media containing NaNO3 (3 g·L-1), welan viscosity was higher at 30-70°C and a welan solution concentration of 6-10 g·L-1. With a reduced NaNO3 concentration, the molecular weight of welan gum and the molar ratio of mannose decreased, but the molar ratio of glucuronic acid increased. With different nitrogen sources, the acetyl content of welan gum differed but its structure was similar. NaNO3 and beef extract facilitated welan production. A reduced NaNO3 concentration promoted welan viscosity. © 2017 S. Karger AG, Basel.

Entanglement of conjugated polymer chains influences molecular self-assembly and carrier transport

KAUST Repository

Zhao, Kui; Khan, Hadayat Ullah; Li, Ruipeng; Su, Yisong; Amassian, Aram

2013-01-01

The influence of polymer entanglement on the self-assembly, molecular packing structure, and microstructure of low-Mw (lightly entangled) and high-Mw (highly entangled) poly (3-hexylthiophene) (P3HT), and the carrier transport in thin-film transistors, are investigated. The polymer chains are gradually disentangled in a marginal solvent via ultrasonication of the polymer solution, and demonstrate improved diffusivity of precursor species (coils, aggregates, and microcrystallites), enhanced nucleation and crystallization of P3HT in solution, and self-assembly of well-ordered and highly textured fibrils at the solid-liquid interface. In low-Mw P3HT, reducing chain entanglement enhances interchain and intrachain ordering, but reduces the interconnectivity of ordered domains (tie molecules) due to the presence of short chains, thus deteriorating carrier transport even in the face of improving crystallinity. Reducing chain entanglement in high-Mw P3HT solutions increases carrier mobility up to ≈20-fold, by enhancing interchain and intrachain ordering while maintaining a sufficiently large number of tie molecules between ordered domains. These results indicate that charge carrier mobility is strongly governed by the balancing of intrachain and interchain ordering, on the one hand, and interconnectivity of ordered domains, on the other hand. In high-Mw P3HT, intrachain and interchain ordering appear to be the key bottlenecks to charge transport, whereas in low-Mw P3HT, the limited interconnectivity of the ordered domains acts as the primary bottleneck to charge transport. Conjugated polymer chains of poly(3-hexylthiophene) (P3HT) are gradually disentangled in solution and trends in carrier transport mechanisms in organic thin film transistors for low- and high-molecular weight P3HT are investigated. While intrachain and interchain ordering within ordered domains are the key bottlenecks to charge transport in high-Mw P3HT films, the limited interconnectivity of ordered

Entanglement of conjugated polymer chains influences molecular self-assembly and carrier transport

KAUST Repository

Zhao, Kui

2013-06-26

The influence of polymer entanglement on the self-assembly, molecular packing structure, and microstructure of low-Mw (lightly entangled) and high-Mw (highly entangled) poly (3-hexylthiophene) (P3HT), and the carrier transport in thin-film transistors, are investigated. The polymer chains are gradually disentangled in a marginal solvent via ultrasonication of the polymer solution, and demonstrate improved diffusivity of precursor species (coils, aggregates, and microcrystallites), enhanced nucleation and crystallization of P3HT in solution, and self-assembly of well-ordered and highly textured fibrils at the solid-liquid interface. In low-Mw P3HT, reducing chain entanglement enhances interchain and intrachain ordering, but reduces the interconnectivity of ordered domains (tie molecules) due to the presence of short chains, thus deteriorating carrier transport even in the face of improving crystallinity. Reducing chain entanglement in high-Mw P3HT solutions increases carrier mobility up to ≈20-fold, by enhancing interchain and intrachain ordering while maintaining a sufficiently large number of tie molecules between ordered domains. These results indicate that charge carrier mobility is strongly governed by the balancing of intrachain and interchain ordering, on the one hand, and interconnectivity of ordered domains, on the other hand. In high-Mw P3HT, intrachain and interchain ordering appear to be the key bottlenecks to charge transport, whereas in low-Mw P3HT, the limited interconnectivity of the ordered domains acts as the primary bottleneck to charge transport. Conjugated polymer chains of poly(3-hexylthiophene) (P3HT) are gradually disentangled in solution and trends in carrier transport mechanisms in organic thin film transistors for low- and high-molecular weight P3HT are investigated. While intrachain and interchain ordering within ordered domains are the key bottlenecks to charge transport in high-Mw P3HT films, the limited interconnectivity of ordered

Thermodynamics and kinetics of a molecular motor ensemble.

Science.gov (United States)

Baker, J E; Thomas, D D

2000-10-01

If, contrary to conventional models of muscle, it is assumed that molecular forces equilibrate among rather than within molecular motors, an equation of state and an expression for energy output can be obtained for a near-equilibrium, coworking ensemble of molecular motors. These equations predict clear, testable relationships between motor structure, motor biochemistry, and ensemble motor function, and we discuss these relationships in the context of various experimental studies. In this model, net work by molecular motors is performed with the relaxation of a near-equilibrium intermediate step in a motor-catalyzed reaction. The free energy available for work is localized to this step, and the rate at which this free energy is transferred to work is accelerated by the free energy of a motor-catalyzed reaction. This thermodynamic model implicitly deals with a motile cell system as a dynamic network (not a rigid lattice) of molecular motors within which the mechanochemistry of one motor influences and is influenced by the mechanochemistry of other motors in the ensemble.

Contribution to the study of the molecular scattering of light. Use of a laser as light source (1963)

International Nuclear Information System (INIS)

Slama, L.

1963-01-01

The experiments of the molecular scattering of light have been repeated using a ruby laser as a light source. The angular distribution of the scattered light intensity has been measured when the electric vector of the incident beam is either in the plane of observation or perpendicular to that plane. In the first case a good agreement with the Rayleigh theory has been found but this is not true in the second case. The differential cross sections for scattering have been measured for various gases. The values found are two or three times larger than the ones deduced from the classical theory. The possible effect of a variation of the beam intensity upon the linearity of the scattering process has been looked for. (author) [fr

Organic Carbon Sources and their Transfer in a Gulf of Mexico Coral Reef Ecosystem under River Influence

Science.gov (United States)

Parrish, C.; Carreón-Palau, L.; del Ángel-Rodríguez, J.; Perez-Espana, H.; Aguiniga-Garcıa, S.

2016-02-01

To assess the degree to which coral reefs in a marine protected area have been influenced by terrestrial and anthropogenic organic carbon inputs we used C and N stable isotopes and lipid biomarkers in the Coral Reef System of Veracruz in the southwest Gulf of Mexico. A C and N stable isotope mixing model and a calculated fatty acid (FA) retention factor revealed the primary producer sources that fuel the coral reef food web. Then lipid classes, FA and sterol biomarkers determined production of terrestrial and marine biogenic material of nutritional quality to pelagic and benthic organisms. Finally, coprostanol determined pollutant loading from sewage in the suspended particulate matter. Results indicate that phytoplankton is the major source of essential FA for fish and that dietary energy from terrestrial sources such as mangroves are transferred to juvenile fish, while sea grass non-essential FA are transferred to the entire food web. Sea urchins may be the main consumers of brown macroalgae, while surgeon fish prefer red algae. C and N isotopic values and the C:N ratio suggest that fertilizer is the principal source of nitrogen to macroalgae. Thus nitrogen supply also favored phytoplankton and sea grass growth leading to a better nutritional condition and high retention of organic carbon in the food web members during the rainy season when river influence increases. However, the great star coral Montastrea cavernosa nutritional condition decreased significantly. The nearest river to the Reef System was polluted in the dry season; however, a dilution effect was detected in the rainy season, when some coral reefs were contaminated. In 2013, a new treatment plant started working in the area. We would suggest monitoring δ15N and the C: N ratio in macroalgae as indicators of the nitrogen input and coprostanol as an indicator of human feces pollution in order to verify the efficiency of the new treatment plant as part of the management program of the Reef System.

Carbon source and myc expression influence the antiproliferative actions of metformin.

Science.gov (United States)

Javeshghani, Shiva; Zakikhani, Mahvash; Austin, Shane; Bazile, Miguel; Blouin, Marie-José; Topisirovic, Ivan; St-Pierre, Julie; Pollak, Michael N

2012-12-01

Epidemiologic and experimental data have led to increased interest in possible roles of biguanides in cancer prevention and/or treatment. Prior studies suggest that the primary action of metformin is inhibition of oxidative phosphorylation, resulting in reduced mitochondrial ATP production and activation of AMPK. In vitro, this may lead to AMPK-dependent growth inhibition if AMPK and its effector pathways are intact or to an energetic crisis if these are defective. We now show that the effect of exposure of several transformed cell lines to metformin varies with carbon source: in the presence of glutamine and absence of glucose, a 75% decrease in cellular ATP and an 80% decrease in cell number is typical; in contrast, when glucose is present, metformin exposure leads to increased glycolysis, with only a modest reduction in ATP level and cell number. Overexpression of myc was associated with sensitization to the antiproliferative effects of metformin, consistent with myc involvement in "glutamine addiction". Our results reveal previously unrecognized factors that influence metformin sensitivity and suggest that metformin-induced increase in glycolysis attenuates the antiproliferative effects of the compound.

Molecular ion photofragment spectroscopy

International Nuclear Information System (INIS)

Bustamente, S.W.

1983-11-01

A new molecular ion photofragment spectrometer is described which features a supersonic molecular beam ion source and a radio frequency octapole ion trap interaction region. This unique combination allows several techniques to be applied to the problem of detecting a photon absorption event of a molecular ion. In particular, it may be possible to obtain low resolution survey spectra of exotic molecular ions by using a direct vibrational predissociation process, or by using other more indirect detection methods. The use of the spectrometer is demonstrated by measuring the lifetime of the O 2 + ( 4 π/sub u/) metastable state which is found to consist of two main components: the 4 π/sub 5/2/ and 4 π/sub -1/2/ spin components having a long lifetime (approx. 129 ms) and the 4 π/sub 3/2/ and 4 π/sub 1/2/ spin components having a short lifetime (approx. 6 ms)

Substructured multibody molecular dynamics.

Energy Technology Data Exchange (ETDEWEB)

Grest, Gary Stephen; Stevens, Mark Jackson; Plimpton, Steven James; Woolf, Thomas B. (Johns Hopkins University, Baltimore, MD); Lehoucq, Richard B.; Crozier, Paul Stewart; Ismail, Ahmed E.; Mukherjee, Rudranarayan M. (Rensselaer Polytechnic Institute, Troy, NY); Draganescu, Andrei I.

2006-11-01

We have enhanced our parallel molecular dynamics (MD) simulation software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator, lammps.sandia.gov) to include many new features for accelerated simulation including articulated rigid body dynamics via coupling to the Rensselaer Polytechnic Institute code POEMS (Parallelizable Open-source Efficient Multibody Software). We use new features of the LAMMPS software package to investigate rhodopsin photoisomerization, and water model surface tension and capillary waves at the vapor-liquid interface. Finally, we motivate the recipes of MD for practitioners and researchers in numerical analysis and computational mechanics.

Influence of modulation method on using LC-traps with single-phase voltage source converters

DEFF Research Database (Denmark)

Wang, Xiongfei; Min, Huang; Bai, Haofeng

2015-01-01

The switching-frequency LC-trap filter has recently been employed with high-order passive filters for Voltage Source Inverters (VSIs). This paper investigates the influence of modulation method on using the LC-traps with single-phase VSIs. Two-level (bipolar) and three-level (unipolar) modulations...... that include phase distortion and alternative phase opposition distortion methods are analyzed. Harmonic filtering performances of four LC-trap-based filters with different locations of LC-traps are compared. It is shown that the use of parallel-LC-traps in series with filter inductors, either grid...... or converter side, has a worse harmonic filtering performance than using series-LC-trap in the shunt branch. Simulations and experimental results are presented for verifications....

Influence of molecular weight of DNA on the determination of anti-DNA antibodies in systemic lupus erythematosus (SLE) sera by radioimmunoassay

Energy Technology Data Exchange (ETDEWEB)

Geisert, M; Heicke, B; Metzmann, E; Zahn, R K

1975-04-01

Using a radioimmunoassay (RIA) based on the Farr technique with radioactively labeled /sup 3/H-DNA for quantitative measurements of anti-DNA antibodies in sera of patients with systemic lupus erythematosus (SLE), the influence of molecular weight of DNA (ranging from 0.1 x 10/sup 6/ to 22.0 x 10/sup 6/ daltons) on binding and precipitation in this system has been investigated. Comparing our results with mathematical models it follows that one antibody molecule is fixed on the average to a statistical DNA segment of 2 x 10/sup 6/ to 4 x 10/sup 6/ daltons. Furthermore binding capacity of the DNA was found to be independent of the molecular weight, as demonstrated in a double label experiment using /sup 14/C and /sup 3/H-labeled DNA of different size. However, the amount of radioactivity precipitated was found to depend on the molecular weight of the labeled DNA following a non-linear function. It was calculated that a minimal ratio of fixed antibody molecules per a certain size of DNA was necessary for precipitation. The mathematical treatment of the observed non-linear precipitation dependence will be discussed using various statistical models. The results indicate that the quantitative measurements of anti-DNA antibodies with the Farr technique e.g., for diagnosis and control of SLE in clinical immunology is highly dependent on the molecular weight of the labeled DNA used in the assay system and reliable results are only obtained with DNA of a sufficiently high molecular weight. (auth)

Influence of physiological sources on the impedance cardiogram analyzed using 4D FEM simulations

International Nuclear Information System (INIS)

Ulbrich, Mark; Leonhardt, Steffen; Walter, Marian; Mühlsteff, Jens

2014-01-01

Impedance cardiography is a simple and inexpensive method to acquire data on hemodynamic parameters. This study analyzes the influence of four dynamic physiological sources (aortic expansion, heart contraction, lung perfusion and erythrocyte orientation) on the impedance signal using a model of the human thorax with a high temporal resolution (125 Hz) based on human MRI data. Simulations of electromagnetic fields were conducted using the finite element method. The ICG signal caused by these sources shows very good agreement with the measured signals (r = 0.89). Standard algorithms can be used to extract characteristic points to calculate left ventricular ejection time and stroke volume (SV). In the presented model, the calculated SV equals the implemented left ventricular volume change of the heart. It is shown that impedance changes due to lung perfusion and heart contraction compensate themselves, and that erythrocyte orientation together with the aortic impedance basically form the ICG signal while taking its characteristic morphology from the aortic signal. The model is robust to conductivity changes of tissues and organ displacements. In addition, it reflects the multi-frequency behavior of the thoracic impedance. (paper)

Selection of organic process and source indicator substances for the anthropogenically influenced water cycle.

Science.gov (United States)

Jekel, Martin; Dott, Wolfgang; Bergmann, Axel; Dünnbier, Uwe; Gnirß, Regina; Haist-Gulde, Brigitte; Hamscher, Gerd; Letzel, Marion; Licha, Tobias; Lyko, Sven; Miehe, Ulf; Sacher, Frank; Scheurer, Marco; Schmidt, Carsten K; Reemtsma, Thorsten; Ruhl, Aki Sebastian

2015-04-01

An increasing number of organic micropollutants (OMP) is detected in anthropogenically influenced water cycles. Source control and effective natural and technical barriers are essential to maintain a high quality of drinking water resources under these circumstances. Based on the literature and our own research this study proposes a limited number of OMP that can serve as indicator substances for the major sources of OMP, such as wastewater treatment plants, agriculture and surface runoff. Furthermore functional indicators are proposed that allow assessment of the proper function of natural and technical barriers in the aquatic environment, namely conventional municipal wastewater treatment, advanced treatment (ozonation, activated carbon), bank filtration and soil aquifer treatment as well as self-purification in surface water. These indicator substances include the artificial sweetener acesulfame, the anti-inflammatory drug ibuprofen, the anticonvulsant carbamazepine, the corrosion inhibitor benzotriazole and the herbicide mecoprop among others. The chemical indicator substances are intended to support comparisons between watersheds and technical and natural processes independent of specific water cycles and to reduce efforts and costs of chemical analyses without losing essential information. Copyright © 2014 Elsevier Ltd. All rights reserved.

Theoretical study of molecular vibrations in electron momentum spectroscopy experiments on furan: An analytical versus a molecular dynamical approach

International Nuclear Information System (INIS)

Morini, Filippo; Deleuze, Michael S.; Watanabe, Noboru; Takahashi, Masahiko

2015-01-01

The influence of thermally induced nuclear dynamics (molecular vibrations) in the initial electronic ground state on the valence orbital momentum profiles of furan has been theoretically investigated using two different approaches. The first of these approaches employs the principles of Born-Oppenheimer molecular dynamics, whereas the so-called harmonic analytical quantum mechanical approach resorts to an analytical decomposition of contributions arising from quantized harmonic vibrational eigenstates. In spite of their intrinsic differences, the two approaches enable consistent insights into the electron momentum distributions inferred from new measurements employing electron momentum spectroscopy and an electron impact energy of 1.2 keV. Both approaches point out in particular an appreciable influence of a few specific molecular vibrations of A 1 symmetry on the 9a 1 momentum profile, which can be unravelled from considerations on the symmetry characteristics of orbitals and their energy spacing

Dissipative tunneling and orthogonality catastrophe in molecular transistors

DEFF Research Database (Denmark)

Braig, S.; Flensberg, Karsten

2004-01-01

Transport through molecular devices with weak tunnel coupling to the leads but with strong coupling to a single vibrational mode is considered in the case where the vibration is damped by coupling to the environment. In particular, we investigate what influence the electrostatic coupling of the c......Transport through molecular devices with weak tunnel coupling to the leads but with strong coupling to a single vibrational mode is considered in the case where the vibration is damped by coupling to the environment. In particular, we investigate what influence the electrostatic coupling...

THE BOLOCAM GALACTIC PLANE SURVEY. X. A COMPLETE SPECTROSCOPIC CATALOG OF DENSE MOLECULAR GAS OBSERVED TOWARD 1.1 mm DUST CONTINUUM SOURCES WITH 7.°5 ≤ l ≤ 194°

International Nuclear Information System (INIS)

Shirley, Yancy L.; Svoboda, Brian; Ellsworth-Bowers, Timothy P.; Schlingman, Wayne M.; Ginsburg, Adam; Battersby, Cara; Stringfellow, Guy; Glenn, Jason; Bally, John; Rosolowsky, Erik; Gerner, Thomas; Mairs, Steven; Dunham, Miranda K.

2013-01-01

The Bolocam Galactic Plane Survey (BGPS) is a 1.1 mm continuum survey of dense clumps of dust throughout the Galaxy covering 170 deg 2 . We present spectroscopic observations using the Heinrich Hertz Submillimeter Telescope of the dense gas tracers, HCO + and N 2 H + 3-2, for all 6194 sources in the BGPS v1.0.1 catalog between 7.°5 ≤ l ≤ 194°. This is the largest targeted spectroscopic survey of dense molecular gas in the Milky Way to date. We find unique velocities for 3126 (50.5%) of the BGPS v1.0.1 sources observed. Strong N 2 H + 3-2 emission (T mb > 0.5 K) without HCO + 3-2 emission does not occur in this catalog. We characterize the properties of the dense molecular gas emission toward the entire sample. HCO + is very sub-thermally populated and the 3-2 transitions are optically thick toward most BGPS clumps. The median observed line width is 3.3 km s –1 consistent with supersonic turbulence within BGPS clumps. We find strong correlations between dense molecular gas integrated intensities and 1.1 mm peak flux and the gas kinetic temperature derived from previously published NH 3 observations. These intensity correlations are driven by the sensitivity of the 3-2 transitions to excitation conditions rather than by variations in molecular column density or abundance. We identify a subset of 113 sources with stronger N 2 H + than HCO + integrated intensity, but we find no correlations between the N 2 H + /HCO + ratio and 1.1 mm continuum flux density, gas kinetic temperature, or line width. Self-absorbed profiles are rare (1.3%)

Influence of Tertiary paleoenvironmental changes on the diversification of South American mammals: a relaxed molecular clock study within xenarthrans

Directory of Open Access Journals (Sweden)

Vizcaíno Sergio F

2004-04-01

Full Text Available Abstract Background Comparative genomic data among organisms allow the reconstruction of their phylogenies and evolutionary time scales. Molecular timings have been recently used to suggest that environmental global change have shaped the evolutionary history of diverse terrestrial organisms. Living xenarthrans (armadillos, anteaters and sloths constitute an ideal model for studying the influence of past environmental changes on species diversification. Indeed, extant xenarthran species are relicts from an evolutionary radiation enhanced by their isolation in South America during the Tertiary era, a period for which major climate variations and tectonic events are relatively well documented. Results We applied a Bayesian approach to three nuclear genes in order to relax the molecular clock assumption while accounting for differences in evolutionary dynamics among genes and incorporating paleontological uncertainties. We obtained a molecular time scale for the evolution of extant xenarthrans and other placental mammals. Divergence time estimates provide substantial evidence for contemporaneous diversification events among independent xenarthran lineages. This correlated pattern of diversification might possibly relate to major environmental changes that occurred in South America during the Cenozoic. Conclusions The observed synchronicity between planetary and biological events suggests that global change played a crucial role in shaping the evolutionary history of extant xenarthrans. Our findings open ways to test this hypothesis further in other South American mammalian endemics like hystricognath rodents, platyrrhine primates, and didelphid marsupials.

Investigation of the silicon ion density during molecular beam epitaxy growth

CERN Document Server

Eifler, G; Ashurov, K; Morozov, S

2002-01-01

Ions impinging on a surface during molecular beam epitaxy influence the growth and the properties of the growing layer, for example, suppression of dopant segregation and the generation of crystal defects. The silicon electron gun in the molecular beam epitaxy (MBE) equipment is used as a source for silicon ions. To use the effect of ion bombardment the mechanism of generation and distribution of ions was investigated. A monitoring system was developed and attached at the substrate position in the MBE growth chamber to measure the ion and electron densities towards the substrate. A negative voltage was applied to the substrate to modify the ion energy and density. Furthermore the current caused by charge carriers impinging on the substrate was measured and compared with the results of the monitoring system. The electron and ion densities were measured by varying the emission current of the e-gun achieving silicon growth rates between 0.07 and 0.45 nm/s and by changing the voltage applied to the substrate betw...

Tuned sources of submillimetre radiation

International Nuclear Information System (INIS)

Berezhnyj, V.L.

1981-01-01

The main present directions of development of sources of frequency coherent tuned radiation of electromagnetic waves in the submillimeter range: nonlinear mixing of different frequencies; semiconductor lasers; molecular lasers with optical pumping; relativistic electron beams in a magnetic field as submillimeter radiation sources; submillimeter radiation sources on the basis of SHF classical electrovacuum devices - are considered. The designs of generator systems and their specifications are presented. The main parameters of electromagnetic radiation of different sources, such as: power, stability, frequency, tuning range - are presented. The methods of improving sources and electromagnetic radiation parameters are proposed. The examples of possible applications of submillimeter radiation in different spheres of science and technology are given [ru

Payer source influence on effectiveness of lifestyle medicine programs.

Science.gov (United States)

Vogelgesang, Joseph; Drozek, David; Nakazawa, Masato; Shubrook, Jay H

2015-09-01

Many chronic diseases are responsive to interventions focused on diet and physical activity. The Complete Health Improvement Program (CHIP) is an intensive, community-based lifestyle intervention that effectively treats many chronic diseases and their risk factors. This is a pilot study examining the effect of payer source for CHIP tuition on participants' outcomes. Seventy-nine self-selected participants (73.4% female) attended 1 of 3 CHIP classes (classes 7-9) offered January through May 2013 in Athens, Ohio. Participants were categorized into 3 groups based on the source(s) of their tuition payment: self-pay, employer-pay, or scholarship. Chronic disease risk factors for each individual were assessed at the beginning and conclusion of the program. Outcome variables included percent reduction between pre- and post CHIP measures in body mass index, systolic and diastolic blood pressure, total cholesterol, low-density lipoprotein cholesterol, high-density lipoprotein cholesterol, triglycerides, and fasting blood glucose. Results were compared between type of payer source (out of pocket vs employer and/or scholarship) and between each individual CHIP class attended. There was no statistical difference in outcomes based on payer source. Those who received funding through their employer or a scholarship experienced similar effects from a lifestyle intervention program as those who paid out of pocket. This study demonstrates that the benefit of CHIP for reducing chronic disease risk factors exists independent of payment source, and thus suggests its benefit may cross socioeconomic lines.

Origin of Organic Matter in Sediments of the Campos Basin (SE Brazilian Continental Margin) by Means of Stable Isotopes and Molecular Markers

Energy Technology Data Exchange (ETDEWEB)

Wagener, A. L.R.; Carreira, R. S.; Baeta, A.; Scofield, A. L. [Departamento de Quimica, Pontificia Universidade Catolica, Rio de Janeiro, RJ (Brazil); Farias, C. O.; Cordeiro, L. G.M.S.; Oliveira, D. R. [Faculdade de Oceanografia, Universidade do Estado do Rio de Janeiro, Rio de Janeiro, RJ (Brazil); Rezende, C. E.; Almeida, M. [Centro de Biociencias e Biotecnologia, Universidade Estadual do Norte Fluminense, Campos dos Goytacazes, RJ (Brazil)

2013-07-15

Sediment samples were taken from a total of 133 stations in two sampling campaigns (winter 2008/2009 and summer 2009) distributed on the shelf and in transects which extended from 25 m to 3000 m water depth. The region under study is influenced by upwelling, river discharge and beyond the platform by five different water masses. The goal of the work was to examine by means of carbon isotopic composition and lipid biomarkers the provenance of the organic matter pool in the sediments so as to evaluate source strength, degradation and relevance to sustain a benthic community. Isotopic and molecular indicators show the influence of the outflow of the Paraiba do Sul river on the quality and quantity of organic matter (OM) that accumulates on the shelf; however, this influence is dependent on the hydrological regime on the river's basin. In the upwelling region of Cabo Frio, the OM is mainly of autochthonous sources, and evidence of export of labile OM produced on the shelf to the slope was found, which can potentially influence the benthic process at depths between 700 and 1000 m. (author)

Development of a pilot molecular distillation unit; Desenvolvimento de unidade de destilacao molecular nacional e aplicacao na avaliacao de petroleos extrapesados

Energy Technology Data Exchange (ETDEWEB)

Rocha, Erica Roberta Lovo da; Maciel, Maria Regina Wolf; Maciel Filho, Rubens; Batistella, Cesar Benedito [Universidade Estadual de Campinas (UNICAMP), SP (Brazil); Medina, Lilian Carmem [PETROBRAS S.A., Rio de Janeiro, RJ (Brazil). Centro de Pesquisas (CENPES)

2008-07-01

Due to the importance and the need in studies with heavy and extra heavy petroleums and their residues, it was designed and built up by the oil research group of LOPCA/LDPS/FEQ/UNICAMP, in partnership with the Laboratory of Valuation Processes of CENPES / PETROBRAS, a pilot plant of falling film molecular distiller (national prototype), where some specific operational facilities were introduced. This project resulted in a suitable system for distillation of products of high molecular weight and thermally sensitive, without degradation of them. This work aims the achievement of distillate fractions of atmospheric residue 400 deg C+, using the new molecular distillation equipment. The experiments were carried out according to factorial design to assess the significant process variables in the molecular distillation prototype. The results showed that the evaporator temperature has high influence on the process and the feed flow rate has minimum influence, as it is desired. Additionally, the equipment showed easy handing operation, high operational stability and results varying around 1%. (author)

CONTROLLING INFLUENCE OF MAGNETIC FIELD ON SOLAR WIND OUTFLOW: AN INVESTIGATION USING CURRENT SHEET SOURCE SURFACE MODEL

Energy Technology Data Exchange (ETDEWEB)

Poduval, B., E-mail: bpoduval@spacescience.org [Space Science Institute, Boulder, CO 80303 (United States)

2016-08-10

This Letter presents the results of an investigation into the controlling influence of large-scale magnetic field of the Sun in determining the solar wind outflow using two magnetostatic coronal models: current sheet source surface (CSSS) and potential field source surface. For this, we made use of the Wang and Sheeley inverse correlation between magnetic flux expansion rate (FTE) and observed solar wind speed (SWS) at 1 au. During the period of study, extended over solar cycle 23 and beginning of solar cycle 24, we found that the coefficients of the fitted quadratic equation representing the FTE–SWS inverse relation exhibited significant temporal variation, implying the changing pattern of the influence of FTE on SWS over time. A particularly noteworthy feature is an anomaly in the behavior of the fitted coefficients during the extended minimum, 2008–2010 (CRs 2073–2092), which is considered due to the particularly complex nature of the solar magnetic field during this period. However, this variation was significant only for the CSSS model, though not a systematic dependence on the phase of the solar cycle. Further, we noticed that the CSSS model demonstrated better solar wind prediction during the period of study, which we attribute to the treatment of volume and sheet currents throughout the corona and the more accurate tracing of footpoint locations resulting from the geometry of the model.

Determination of sulfur in food by high resolution continuum source flame molecular absorption spectrometry

Energy Technology Data Exchange (ETDEWEB)

Zambrzycka, Elżbieta; Godlewska-Żyłkiewicz, Beata, E-mail: bgodlew@uwb.edu.pl

2014-11-01

In the present work, a fast, simple and sensitive analytical method for determination of sulfur in food and beverages by high resolution continuum source flame molecular absorption spectrometry was developed. The determination was performed via molecular absorption of carbon monosulfide, CS. Different CS rotational lines (257.959 nm, 258.033 nm, 258.055 nm), number of pixels and types of standard solution of sulfur, namely: sulfuric acid, sodium sulfate, ammonium sulfate, sodium sulfite, sodium sulfide, DL-cysteine, and L-cystine, were studied in terms of sensitivity, repeatability of results as well as limit of detection and limit of quantification. The best results were obtained for measurements of absorption of the CS molecule at 258.055 nm at the wavelength range covering 3 pixels and DL-cysteine in 0.2 mol L{sup −1} HNO{sub 3} solution as a calibration standard. Under optimized conditions the limit of detection and the limit of quantification achieved for sulfur were 10.9 mg L{sup −1} and 36.4 mg L{sup −1}, respectively. The repeatability of the results expressed as relative standard deviation was typically < 5%. The accuracy of the method was tested by analysis of digested biological certified reference materials (soya bean flour, corn flour and herbs) and recovery experiment for beverage samples with added known amount of sulfur standard. The recovery of analyte from such samples was in the range of 93–105% with the repeatability in the range of 4.1–5.0%. The developed method was applied for the determination of sulfur in milk (194 ± 10 mg kg{sup −1}), egg white (2188 ± 29 mg kg{sup −1}), mineral water (31.0 ± 0.9 mg L{sup −1}), white wine (260 ± 4 mg L{sup −1}) and red wine (82 ± 2 mg L{sup −1}), as well as in sample rich in ions, such as bitter mineral water (6900 ± 100 mg L{sup −1}). - Highlights: • HR-CS FMAS technique was used for sulfur measurement via molecular absorption of carbon monosulfide, CS. • Organic DL

Fecal indicator organism modeling and microbial source tracking in environmental waters: Chapter 3.4.6

Science.gov (United States)

Nevers, Meredith; Byappanahalli, Muruleedhara; Phanikumar, Mantha S.; Whitman, Richard L.

2016-01-01

Mathematical models have been widely applied to surface waters to estimate rates of settling, resuspension, flow, dispersion, and advection in order to calculate movement of particles that influence water quality. Of particular interest are the movement, survival, and persistence of microbial pathogens or their surrogates, which may contaminate recreational water, drinking water, or shellfish. Most models devoted to microbial water quality have been focused on fecal indicator organisms (FIO), which act as a surrogate for pathogens and viruses. Process-based modeling and statistical modeling have been used to track contamination events to source and to predict future events. The use of these two types of models require different levels of expertise and input; process-based models rely on theoretical physical constructs to explain present conditions and biological distribution while data-based, statistical models use extant paired data to do the same. The selection of the appropriate model and interpretation of results is critical to proper use of these tools in microbial source tracking. Integration of the modeling approaches could provide insight for tracking and predicting contamination events in real time. A review of modeling efforts reveals that process-based modeling has great promise for microbial source tracking efforts; further, combining the understanding of physical processes influencing FIO contamination developed with process-based models and molecular characterization of the population by gene-based (i.e., biological) or chemical markers may be an effective approach for locating sources and remediating contamination in order to protect human health better.

On the influence of microphone array geometry on HRTF-based Sound Source Localization

DEFF Research Database (Denmark)

Farmani, Mojtaba; Pedersen, Michael Syskind; Tan, Zheng-Hua

2015-01-01

The direction dependence of Head Related Transfer Functions (HRTFs) forms the basis for HRTF-based Sound Source Localization (SSL) algorithms. In this paper, we show how spectral similarities of the HRTFs of different directions in the horizontal plane influence performance of HRTF-based SSL...... algorithms; the more similar the HRTFs of different angles to the HRTF of the target angle, the worse the performance. However, we also show how the microphone array geometry can assist in differentiating between the HRTFs of the different angles, thereby improving performance of HRTF-based SSL algorithms....... Furthermore, to demonstrate the analysis results, we show the impact of HRTFs similarities and microphone array geometry on an exemplary HRTF-based SSL algorithm, called MLSSL. This algorithm is well-suited for this purpose as it allows to estimate the Direction-of-Arrival (DoA) of the target sound using any...

Modelling of the influence of the vacancy source and sink activity and the stress state on diffusion in crystalline solids

International Nuclear Information System (INIS)

Svoboda, J.; Fischer, F.D.

2011-01-01

Diffusion in solids is a well-known phenomenon that has many consequences in technology and material science. Modelling of diffusion-controlled processes requires both a reliable theory of diffusion and reliable kinetic coefficients, as well as other thermodynamic data. Often the classical Darken theory, valid for stress-free systems with ideal vacancy source and sink activity, is generalized to multicomponent systems with ideal vacancy source and sink activity. Nazarov and Gurov presented a theory for stress-free systems with no vacancy source and sink activity. Recently we published a general theory of diffusion that accounted for the role of non-ideal vacancy source and sink activity, as well as the stress state. Since diffusion theories are tested and diffusion coefficients measured usually on diffusion couples, this paper presents evolution equations based on that general theory for a diffusion couple. In the limit, the equations of the Darken theory and the Nazarov and Gurov theory are valid for ideal vacancy source and sink activity and no vacancy source and sink activity, respectively. Simulations for binary and ternary diffusion couples demonstrate the influence of the vacancy source and sink activity and the stress state on evolution of site fraction profiles of components and vacancies, and on the Kirkendall effect.

MoleculeNet: a benchmark for molecular machine learning.

Science.gov (United States)

Wu, Zhenqin; Ramsundar, Bharath; Feinberg, Evan N; Gomes, Joseph; Geniesse, Caleb; Pappu, Aneesh S; Leswing, Karl; Pande, Vijay

2018-01-14

Molecular machine learning has been maturing rapidly over the last few years. Improved methods and the presence of larger datasets have enabled machine learning algorithms to make increasingly accurate predictions about molecular properties. However, algorithmic progress has been limited due to the lack of a standard benchmark to compare the efficacy of proposed methods; most new algorithms are benchmarked on different datasets making it challenging to gauge the quality of proposed methods. This work introduces MoleculeNet, a large scale benchmark for molecular machine learning. MoleculeNet curates multiple public datasets, establishes metrics for evaluation, and offers high quality open-source implementations of multiple previously proposed molecular featurization and learning algorithms (released as part of the DeepChem open source library). MoleculeNet benchmarks demonstrate that learnable representations are powerful tools for molecular machine learning and broadly offer the best performance. However, this result comes with caveats. Learnable representations still struggle to deal with complex tasks under data scarcity and highly imbalanced classification. For quantum mechanical and biophysical datasets, the use of physics-aware featurizations can be more important than choice of particular learning algorithm.

Determination of sulfur in bovine serum albumin and L-cysteine using high-resolution continuum source molecular absorption spectrometry of the CS molecule

Science.gov (United States)

Andrade-Carpente, Eva; Peña-Vázquez, Elena; Bermejo-Barrera, Pilar

2016-08-01

In this study, the content of sulfur in bovine serum albumin and L-cysteine was determined using high-resolution continuum source molecular absorption spectrometry of the CS molecule, generated in a reducing air-acetylene flame. Flame conditions (height above the burner, measurement time) were optimized using a 3.0% (v/v) sulfuric acid solution. A microwave lab station (Ethos Plus MW) was used for the digestion of both compounds. During the digestion step, sulfur was converted to sulfate previous to the determination. Good repeatability (4-10%) and analytical recovery (91-106%) was obtained.

INFLUENCE OF DIFFERENT SOURCES OF INFORMATION ON ASQISITION OF NEW PSYCHOMOTOR ACTIVITIES

Directory of Open Access Journals (Sweden)

Dragan Krivokapić

2008-08-01

Full Text Available The introduction of tuition according to the program of nine-year elementary school demanded that many schools had to fit out their classrooms and gymnasiums with modern audio and visual devices and computers. The preview of the recording of the expertly demonstrated motion followed by the precisely formulated explanation, the drawing or the the kinogram may contribute the learning process, since it enables children to create a clear conception of the motion that has to be learned. It is useful to mention that we can always use either slow motion or show the recording over and over. By using the mentioned advantages the teacher can focus his attention on motivation, assistance, error correction and feedback giving instead of on demonstration and explanation of the movenent itself. In order to evaluate and compare the influence of different sources of information on acquisition of the new psychomotor activity this paper offers the experiment on the sample of 43 second grade students (nine-year elementary school divided into two homogenous subspecimens. Both groups were learning the same new psychomotor activity, but according to two different sources of information. The first group was learning through the method usually employed in the practice of lower elementary teaching on that level. The other group was learning by watching the video recording of the expertly demonstrated motion combined with the audio recording. According to the data obtained through statistical processing it is possible to conclude that the other group learned statistically more successful.

A priori assumptions about characters as a cause of incongruence between molecular and morphological hypotheses of primate interrelationships.

Science.gov (United States)

Tornow, Matthew A; Skelton, Randall R

2012-01-01

When molecules and morphology produce incongruent hypotheses of primate interrelationships, the data are typically viewed as incompatible, and molecular hypotheses are often considered to be better indicators of phylogenetic history. However, it has been demonstrated that the choice of which taxa to include in cladistic analysis as well as assumptions about character weighting, character state transformation order, and outgroup choice all influence hypotheses of relationships and may positively influence tree topology, so that relationships between extant taxa are consistent with those found using molecular data. Thus, the source of incongruence between morphological and molecular trees may lie not in the morphological data themselves but in assumptions surrounding the ways characters evolve and their impact on cladistic analysis. In this study, we investigate the role that assumptions about character polarity and transformation order play in creating incongruence between primate phylogenies based on morphological data and those supported by multiple lines of molecular data. By releasing constraints imposed on published morphological analyses of primates from disparate clades and subjecting those data to parsimony analysis, we test the hypothesis that incongruence between morphology and molecules results from inherent flaws in morphological data. To quantify the difference between incongruent trees, we introduce a new method called branch slide distance (BSD). BSD mitigates many of the limitations attributed to other tree comparison methods, thus allowing for a more accurate measure of topological similarity. We find that releasing a priori constraints on character behavior often produces trees that are consistent with molecular trees. Case studies are presented that illustrate how congruence between molecules and unconstrained morphological data may provide insight into issues of polarity, transformation order, homology, and homoplasy.

Influence of the vibration source location on the modes of jet disintegration in the priller and on monodispersity of the finished product

OpenAIRE

Skydanenko, Maksym; Kononenko, Mykola; Kurdes, Yuliia

2017-01-01

Influence of the vibration source location on the modes of liquid jets disintegration and obtaining monodisperse droplets and granules of the finished product is theoretically grounded and experimentally confirmed. The experiment was conducted on an experimental stand of industrial granulation equipment.

3Dmol.js: molecular visualization with WebGL.

Science.gov (United States)

Rego, Nicholas; Koes, David

2015-04-15

3Dmol.js is a modern, object-oriented JavaScript library that uses the latest web technologies to provide interactive, hardware-accelerated three-dimensional representations of molecular data without the need to install browser plugins or Java. 3Dmol.js provides a full featured API for developers as well as a straightforward declarative interface that lets users easily share and embed molecular data in websites. 3Dmol.js is distributed under the permissive BSD open source license. Source code and documentation can be found at http://3Dmol.csb.pitt.edu dkoes@pitt.edu. © The Author 2014. Published by Oxford University Press.

Source Similarity and Social Media Health Messages: Extending Construal Level Theory to Message Sources.

Science.gov (United States)

Young, Rachel

2015-09-01

Social media users post messages about health goals and behaviors to online social networks. Compared with more traditional sources of health communication such as physicians or health journalists, peer sources are likely to be perceived as more socially close or similar, which influences how messages are processed. This experimental study uses construal level theory of psychological distance to predict how mediated health messages from peers influence health-related cognition and behavioral intention. Participants were exposed to source cues that identified peer sources as being either highly attitudinally and demographically similar to or different from participants. As predicted by construal level theory, participants who perceived sources of social media health messages as highly similar listed a greater proportion of beliefs about the feasibility of health behaviors and a greater proportion of negative beliefs, while participants who perceived sources as more dissimilar listed a greater proportion of positive beliefs about the health behaviors. Results of the study could be useful in determining how health messages from peers could encourage individuals to set realistic health goals.

Determination of trace concentrations of chlorine in aqueous solutions by high-resolution continuum source graphite furnace molecular absorption spectrometry

Science.gov (United States)

Machyňák, Ľubomír; Čacho, František; Němeček, Martin; Beinrohr, Ernest

2016-11-01

Trace concentrations of total chlorine were determined by means of molecular absorption of indium mono-chloride (InCl) at 267.217 nm using high-resolution continuum source graphite furnace molecular absorption spectrometry. The effects of chemical modifiers and the amount of In on the sensitivity and accuracy were investigated. The optimum pyrolysis and vaporization temperatures were 600 °C and 1400 °C, respectively. The limit of detection and characteristic mass were found to be 0.10 ng and 0.21 ng, respectively. Potential non-spectral and spectral interferences were tested for various metals and non-metals at concentrations up to 50 mg L- 1 and for phosphoric, sulphuric and nitric acids. No spectral interferences were observed. Significant non-spectral interferences were observed with F, Br, and I at concentrations higher than 1 mg L- 1, 5 mg L- 1 and 25 mg L- 1, respectively, which is probably caused by formation of competitive indium halogen molecules. Higher concentrations of mineral acids depressed the signal owing to the formation of volatile HCl. The calibration curve was linear in the range between 0.3 and 10 ng with a correlation coefficient of R = 0.993. The elaborated method was used for the chlorine determination in various waters and a drug sample.

Preparation and electrical properties of boron and boron phosphide films obtained by gas source molecular beam deposition

Energy Technology Data Exchange (ETDEWEB)

Kumashiro, Y.; Yokoyama, T.; Sakamoto, T.; Fujita, T. [Yokohama National Univ. (Japan)

1997-10-01

Boron and boron phosphide films were prepared by gas source molecular beam deposition on sapphire crystal at various substrate temperatures up to 800{degrees}C using cracked B{sub 2}H{sub 6} (2% in H{sub 2}) at 300{degrees}C and cracked PH{sub 3} (20% in H{sub 2}) at 900{degrees}C. The substrate temperatures and gas flow rates of the reactant gases determined the film growth. The boron films with amorphous structure are p type. Increasing growth times lead to increasing mobilities and decreasing carrier concentrations. Boron phosphide film with maximum P/B ratio is obtained at a substrate temperature of 600{degrees}C, below and above which they become phosphorous deficient due to insufficient supply of phosphorus and thermal desorption of the phosphorus as P{sub 2}, respectively, but they are all n type conductors due to phosphorus vacancies.

Photoelectron spectroscopy of supersonic molecular beams

International Nuclear Information System (INIS)

Pollard, J.E.; Trevor, D.J.; Lee, Y.T.; Shirley, D.A.

1981-01-01

A high-resolution photoelectron spectrometer which uses molecular beam sampling is described. Photons from a rare-gas resonance lamp or UV laser are crossed with the beam from a differentially pumped supersonic nozzle source. The resulting photoelectrons are collected by an electrostatic analyzer of a unique design consisting of a 90 0 spherical sector preanalyzer, a system of lenses, and a 180 0 hemispherical deflector. A multichannel detection system based on dual microchannel plates with a resistive anode position encoder provides an increase in counting efficiency by a factor of 12 over the equivalent single channel detector. The apparatus has demonstrated an instrumental resolution of better than 10 meV FWHM, limited largely by the photon source linewidth. A quadrupole mass spectrometer is used to characterize the composition of the molecular beam. Extensive differential pumping is provided to protect the critical surfaces of the analyzer and mass spectrometer from contamination. Because of the near elimination of Doppler and rotational broadenings, the practical resolution is the highest yet obtained in molecular PES

A new storage-ring light source

Energy Technology Data Exchange (ETDEWEB)

Chao, Alex [SLAC National Accelerator Lab., Menlo Park, CA (United States)

2015-06-01

A recently proposed technique in storage ring accelerators is applied to provide potential high-power sources of photon radiation. The technique is based on the steady-state microbunching (SSMB) mechanism. As examples of this application, one may consider a high-power DUV photon source for research in atomic and molecular physics or a high-power EUV radiation source for industrial lithography. A less challenging proof-of-principle test to produce IR radiation using an existing storage ring is also considered.

Guidelines on the use of molecular genetics in reintroduction programs

Science.gov (United States)

Michael K. Schwartz

2005-01-01

The use of molecular genetics can play a key role in reintroduction efforts. Prior to the introduction of any individuals, molecular genetics can be used to identify the most appropriate source population for the reintroduction, ensure that no relic populations exist in the reintroduction area, and guide captive breeding programs. The use of molecular genetics post-...

THE BOLOCAM GALACTIC PLANE SURVEY. X. A COMPLETE SPECTROSCOPIC CATALOG OF DENSE MOLECULAR GAS OBSERVED TOWARD 1.1 mm DUST CONTINUUM SOURCES WITH 7.°5 ≤ l ≤ 194°

Energy Technology Data Exchange (ETDEWEB)

Shirley, Yancy L.; Svoboda, Brian [Steward Observatory, 933 North Cherry Avenue, Tucson, AZ 85721 (United States); Ellsworth-Bowers, Timothy P.; Schlingman, Wayne M.; Ginsburg, Adam; Battersby, Cara; Stringfellow, Guy; Glenn, Jason; Bally, John [CASA, University of Colorado, CB 389, Boulder, CO 80309 (United States); Rosolowsky, Erik [Department of Physics, University of Alberta, 4-181 CCIS Edmonton AB T6G 2E1 (Canada); Gerner, Thomas [Max-Planck-Institut für Astronomie (MPIA), Knigstuhl 17, D-69117 Heidelberg (Germany); Mairs, Steven [Department of Physics and Astronomy, University of Victoria, P.O. Box 3055, STN CSC, Victoria, BC V8W 3P6 (Canada); Dunham, Miranda K. [Department of Astronomy, Yale University, P.O. Box 208101, New Haven, CT 06520 (United States)

2013-11-01

The Bolocam Galactic Plane Survey (BGPS) is a 1.1 mm continuum survey of dense clumps of dust throughout the Galaxy covering 170 deg{sup 2}. We present spectroscopic observations using the Heinrich Hertz Submillimeter Telescope of the dense gas tracers, HCO{sup +} and N{sub 2}H{sup +} 3-2, for all 6194 sources in the BGPS v1.0.1 catalog between 7.°5 ≤ l ≤ 194°. This is the largest targeted spectroscopic survey of dense molecular gas in the Milky Way to date. We find unique velocities for 3126 (50.5%) of the BGPS v1.0.1 sources observed. Strong N{sub 2}H{sup +} 3-2 emission (T {sub mb} > 0.5 K) without HCO{sup +} 3-2 emission does not occur in this catalog. We characterize the properties of the dense molecular gas emission toward the entire sample. HCO{sup +} is very sub-thermally populated and the 3-2 transitions are optically thick toward most BGPS clumps. The median observed line width is 3.3 km s{sup –1} consistent with supersonic turbulence within BGPS clumps. We find strong correlations between dense molecular gas integrated intensities and 1.1 mm peak flux and the gas kinetic temperature derived from previously published NH{sub 3} observations. These intensity correlations are driven by the sensitivity of the 3-2 transitions to excitation conditions rather than by variations in molecular column density or abundance. We identify a subset of 113 sources with stronger N{sub 2}H{sup +} than HCO{sup +} integrated intensity, but we find no correlations between the N{sub 2}H{sup +}/HCO{sup +} ratio and 1.1 mm continuum flux density, gas kinetic temperature, or line width. Self-absorbed profiles are rare (1.3%)

Testing the molecular clock using mechanistic models of fossil preservation and molecular evolution.

Science.gov (United States)

Warnock, Rachel C M; Yang, Ziheng; Donoghue, Philip C J

2017-06-28

Molecular sequence data provide information about relative times only, and fossil-based age constraints are the ultimate source of information about absolute times in molecular clock dating analyses. Thus, fossil calibrations are critical to molecular clock dating, but competing methods are difficult to evaluate empirically because the true evolutionary time scale is never known. Here, we combine mechanistic models of fossil preservation and sequence evolution in simulations to evaluate different approaches to constructing fossil calibrations and their impact on Bayesian molecular clock dating, and the relative impact of fossil versus molecular sampling. We show that divergence time estimation is impacted by the model of fossil preservation, sampling intensity and tree shape. The addition of sequence data may improve molecular clock estimates, but accuracy and precision is dominated by the quality of the fossil calibrations. Posterior means and medians are poor representatives of true divergence times; posterior intervals provide a much more accurate estimate of divergence times, though they may be wide and often do not have high coverage probability. Our results highlight the importance of increased fossil sampling and improved statistical approaches to generating calibrations, which should incorporate the non-uniform nature of ecological and temporal fossil species distributions. © 2017 The Authors.

The development of the measurement technique of the control rod worth with the inverse kinetics method considering the influence of the steady neutron source

International Nuclear Information System (INIS)

Takeuchi, Mitsuo; Wada, Shigeru; Takahashi, Hiroyuki; Hayashi, Kazuhiko; Murayama, Yoji

2000-09-01

At the research reactor such as JRR-3M, the operation management is carried out in order to ensure safe operation, for example, the excess reactivity is measured regularly and confirmed that it satisfies a safety condition. The excess reactivity is calculated using control rod position in criticality and control rod worth measured by a positive period method (P.P method), the conventional inverse kinetic method (IK method) and so on. The neutron source, however, influences measurement results and brings in a measurement error. A new IK method considering the influence of the steady neutron sources is proposed and applied to the JRR-3M. This report shows that the proposed IK method measures control rod worth more precisely than a conventional IK method. (author)

Influence of the ionizing radiation on bituminous oil

International Nuclear Information System (INIS)

Aliyeva-Chichek, S.N; Guliyeva, S.; Aliyev, S.; Ahmedbekova, N. Ibadov.

2012-01-01

Full text : Bituminous oil is suitable for the production of road bitumen, lubricant oils, and energy fuel. In their structure, there is found an increased concentration of valuable metals (vanadium, nickel, etc.). The radiation-chemical transformations of bituminous oil, as well as the influence of an ionizing radiation on radiating stability of oil were investigated. Investigated oil was taken from Binagadi deposits from a depth in excess of 100 m.The source of ionizing radiation was used the isotope γ radiation 20 60 Ca MRX - γ 30 . The dose rate of the source of radiation is 0, 49 Gy/s, at the absorbed doses of 34,5-216 kGy. Methods of IR-Spectroscopy with an application of Spectrometer M-80 were used in the determination of the structural-group componential composition. Gas products were analyzed with the method of gas chromatography. Liquid products were identified by mass-spectrometer methods. The kinetics of the formations of gases was investigated by the radiolysis of oil as one of the parameters of the radiating stability of the bituminous oil. Samples of oil were irradiated in a vacuum and air conditions. It was established that presence of oxygen in the system does not significantly influence the radiation-chemical yields of the gases. Because at the room temperature, radiation-chemical disintegration proceeds without the introduction of oxygen into the reaction. This means that the rate of regrouping and splitting in the polycondensed systems is greater than the rate of interaction of the active radiolysis particles with oxygen. The influence of γ - irradiation on the structural-group composition of bituminous oil was investigated. It is visible from the comparison of IR-spectra of initial and irradiated samples of oil in the presence of air and in a vacuum, that there is a decrease in the optical density as a result of irradiation both in the aliphatic groups -CH 2 , -CH 3 , and in the double chemical bonds C=C. This shows that formation of

The influence of molecular weight in radiotracers of inflamators processes

International Nuclear Information System (INIS)

Mesa Duennas, N.; Zayas Crespo, F.; Piedra Mazorra, J.; Diaz Barreto, M; Rodriguez Alfonso, M.E.; Perez Fuentes, A.

2004-01-01

Four 99mTc-radiopharmaceuticals (RPs) were compared as a radiotracers of inflammatory process. The RPs were divided in two groups according to their molecular weights and nature. One group included the human IgG and the ior t3 MoAb (anti-CD3), another included the Ciprofloxacine and the DMSA. The RPs were studied by different quality controls, and a biodistribution study in an aseptic inflammatory model made by steril Carragenin. The results obtained in the reduction of the immunoglobulins with 2-mercaptoethanol and sodium metabisulphite demonstrated that both reducing agents were equivalent, because the radiochemical purity obtained were similar and independent of the immunoglobulins. The biodistribution demonstrated a higher incorporation for the radiopharmaceuticals of high molecular weight, and the highest values were obtained with the 2-mercaptoethanol

Cocoa content influences chocolate molecular profile investigated by MALDI-TOF mass spectrometry.

Science.gov (United States)

Bonatto, Cínthia C; Silva, Luciano P

2015-06-01

Chocolate authentication is a key aspect of quality control and safety. Matrix-assisted laser desorption ionization time-of flight (MALDI-TOF) mass spectrometry (MS) has been demonstrated to be useful for molecular profiling of cells, tissues, and even food. The present study evaluated if MALDI-TOF MS analysis on low molecular mass profile may classify chocolate samples according to the cocoa content. The molecular profiles of seven processed commercial chocolate samples were compared by using MALDI-TOF MS. Some ions detected exclusively in chocolate samples corresponded to the metabolites of cocoa or other constituents. This method showed the presence of three distinct clusters according to confectionery and sensorial features of the chocolates and was used to establish a mass spectra database. Also, novel chocolate samples were evaluated in order to check the validity of the method and to challenge the database created with the mass spectra of the primary samples. Thus, the method was shown to be reliable for clustering unknown samples into the main chocolate categories. Simple sample preparation of the MALDI-TOF MS approach described will allow the surveillance and monitoring of constituents during the molecular profiling of chocolates. © 2014 Society of Chemical Industry.

Studies on liposomes with Chlorophyll for monitoring the electromagnetic influence at molecular level

International Nuclear Information System (INIS)

Tugulea, Laura; Miclaus, Simona; Iacovache, Ioan

2001-01-01

The liposomes with Chlorophyll are excellent model membranes and could be successfully used to study the electromagnetic influence at molecular level. The strong visible absorption and fluorescence of Chlorophyll allow its use as sensor for the interactions at molecular level and as a fluorescence marker; it reflects certain aspects of the supramolecular structure of the lipid phase: fluidity, lipid and liposomes aggregation. The objective of our work was to evidence athermal effect of low level, pulsed microwave (MW) fields on liposomes and to evidence the possible mechanism of interaction at molecular level. Unilamellar liposomes were obtained from multilamellar vesicles by the hand-shaken method and sonication for 30 minutes. The multilamellar vesicles were prepared using Chla /lipid films with specific molar ratio (lipid/Chla 1/10 and 1/100) and different lipids (Dipalmitoyl phosphatidylcholine, Dimirystoyl Phosphatidylcholine and Dioleoyl Phosphatidylcholine-Sigma). The films were dispersed in buffer solutions of different pH (6.2 - 7.6). The Chlorophyll was freshly extracted from spinach leaves and separated by the chromatographic method. Portions of liposome suspension (0.6 ml) were inserted into Teflon cuvettes. The samples were irradiated in series, for periods of 5-30 minutes. The exposure system was: MW generator + adapted load (shortened rectangular waveguide) + Teflon cuvette filled with sample liquid. The effect of MW irradiation is not observable on multilamellar vesicles, but only on small unilamellar vesicles. The MW effect is athermal, verified by conventional heating in the same range of temperatures and results in enlarging the size of vesicles. The enlarging effect of MW is opposed to the effect of ultrasounds exposure. It is not clear if effects due to MW are proportional with exposure duration; it seems that this mostly depends on the type of lipid in vesicles. The UV and VIS spectra were recorded to observe the oxidation state of the

Molecular beam kinetics

International Nuclear Information System (INIS)

Behrens, R. Jr.

1975-11-01

The design of a crossed molecular beam ''supermachine'' for neutral--neutral collisions is discussed. The universal electron bombardment ionizer, mass filter, and ion detection system of the detector, the supersonic nozzle sources, the differential pumping arrangement for the sources and detector, the time-of-flight detection of scattered products, and the overall configuration of the apparatus are described. The elastic scattering of two systems, CH 4 + Ar and NH 3 + Ar, has been measured using the supermachine with two supersonic nozzle sources. The rainbow structure and the interference oscillations are seen in each system. The best fit to the data was found using a Morse--Spline--Van der Waals (MSV) potential. The three potential parameters epsilon, r/sub m/, and β were found to be 2.20(+-0.04) x 10 -14 ergs, 3.82(+-0.04)A, and 7.05 +- 0.20 for CH 4 + Ar, and 2.21(+-0.04) x 10 -14 ergs 3.93 (+-0.05)A, and 8.45 +- 0.30 for NH 3 + Ar. A new phenomenon in crossed molecular beams of condensation of a molecule on a cluster to form a complex was observed. A bromine molecule condensed on clusters of chlorine (Cl 2 )/sub chi/ and ammonia (NH 3 )/sub chi/. The value of chi for measurements in these experiments ranges from 7 to 40 for chlorine clusters and from 10 to 70 ammonia clusters

New target prediction and visualization tools incorporating open source molecular fingerprints for TB Mobile 2.0.

Science.gov (United States)

Clark, Alex M; Sarker, Malabika; Ekins, Sean

2014-01-01

We recently developed a freely available mobile app (TB Mobile) for both iOS and Android platforms that displays Mycobacterium tuberculosis (Mtb) active molecule structures and their targets with links to associated data. The app was developed to make target information available to as large an audience as possible. We now report a major update of the iOS version of the app. This includes enhancements that use an implementation of ECFP_6 fingerprints that we have made open source. Using these fingerprints, the user can propose compounds with possible anti-TB activity, and view the compounds within a cluster landscape. Proposed compounds can also be compared to existing target data, using a näive Bayesian scoring system to rank probable targets. We have curated an additional 60 new compounds and their targets for Mtb and added these to the original set of 745 compounds. We have also curated 20 further compounds (many without targets in TB Mobile) to evaluate this version of the app with 805 compounds and associated targets. TB Mobile can now manage a small collection of compounds that can be imported from external sources, or exported by various means such as email or app-to-app inter-process communication. This means that TB Mobile can be used as a node within a growing ecosystem of mobile apps for cheminformatics. It can also cluster compounds and use internal algorithms to help identify potential targets based on molecular similarity. TB Mobile represents a valuable dataset, data-visualization aid and target prediction tool.

Molten Fluoride Salts as Fluorine Source in the Production of Molecular Sidebands

CERN Document Server

Shoaib, Maryam

2015-01-01

The medically important isotopes Yttrium and Zirconium were selected for fluorination. After this, 30 $\\mu$g of NaF as fluorine source was put in mass marker in the target unit. It was heated and plasma ion source was used to ionize the vapors. The ion source efficiency was 27\\%. It was observed that the yield for fluorine was not enough for various mass marker temperatures (0 A - 40 A) and ion source temperatures (2000 $^{o}$C - 2150$^{o}$C) to be reacted with other elements. The optimum temperatures of mass marker was observed here as 35 A. The project can be proceeded for further high temperatures and for different fluorine sources.

Influence of molecular clustering on the interpretation of diffractograms of hydrocarbon films from tokamak T-10

Energy Technology Data Exchange (ETDEWEB)

Neverov, V. S., E-mail: vs-never@hotmail.com [National Research Center Kurchatov Institute, Tokamak Physics Institute (Russian Federation); Voloshinov, V. V., E-mail: vladimir.voloshinov@gmail.com [Russian Academy of Science, Institute for Information Transmission Problems (Kharkevich Institute) (Russian Federation); Kukushkin, A. B., E-mail: kukushkin-ab@nrcki.ru [National Research Center Kurchatov Institute, Tokamak Physics Institute (Russian Federation); Tarasov, A. S., E-mail: tarasov.alexey@gmail.com [Russian Academy of Science, Institute for Information Transmission Problems (Kharkevich Institute) (Russian Federation)

2015-12-15

The influence of molecular clustering on the formerly suggested interpretation of diffraction patterns of hydrocarbon films formed in the vacuum vessel of the tokamak T-10 is analyzed numerically. The simulation of clustering of simple hydrocarbon molecules C(D, H){sub 4}, C{sub 2}(D, H){sub 4}, and C{sub 6}(D, H){sub 6} and molecules composed of curved graphene (fullerenes and toroidal nanotubes) is carried out with the rigid body molecular dynamics method. It is shown that formerly neglected atomic correlations C–C and C–D(H) in the amorphous hydrocarbon component decrease the calculated values of the scattered intensity in the range of scattering vector modulus 5 < q < 20 nm{sup –1} because of homogenization of scatters on the spatial scale of ∼1 nm. The allowance for these correlations does not change the diffraction patterns in the range q > 20 nm{sup –1}. The results suggest the necessity to introduce to the procedure of determining the structural content of the films, similar to those from the tokamak T-10, the clusters formed by the van der Waals adhesion of hydrocarbon molecules to “graphene” nanoparticles. This simplifies the mathematical optimization to the former level of complexity—but for an extended ensemble of objects—and makes it possible to calculate the diffraction patterns of these objects using the distributed computing resources. A modified algorithm of structural content identification on the basis of joint X-ray and neutron diffractometry is suggested.

Sound Spectrum Influences Auditory Distance Perception of Sound Sources Located in a Room Environment

Directory of Open Access Journals (Sweden)

Ignacio Spiousas

2017-06-01

Full Text Available Previous studies on the effect of spectral content on auditory distance perception (ADP focused on the physically measurable cues occurring either in the near field (low-pass filtering due to head diffraction or when the sound travels distances >15 m (high-frequency energy losses due to air absorption. Here, we study how the spectrum of a sound arriving from a source located in a reverberant room at intermediate distances (1–6 m influences the perception of the distance to the source. First, we conducted an ADP experiment using pure tones (the simplest possible spectrum of frequencies 0.5, 1, 2, and 4 kHz. Then, we performed a second ADP experiment with stimuli consisting of continuous broadband and bandpass-filtered (with center frequencies of 0.5, 1.5, and 4 kHz and bandwidths of 1/12, 1/3, and 1.5 octave pink-noise clips. Our results showed an effect of the stimulus frequency on the perceived distance both for pure tones and filtered noise bands: ADP was less accurate for stimuli containing energy only in the low-frequency range. Analysis of the frequency response of the room showed that the low accuracy observed for low-frequency stimuli can be explained by the presence of sparse modal resonances in the low-frequency region of the spectrum, which induced a non-monotonic relationship between binaural intensity and source distance. The results obtained in the second experiment suggest that ADP can also be affected by stimulus bandwidth but in a less straightforward way (i.e., depending on the center frequency, increasing stimulus bandwidth could have different effects. Finally, the analysis of the acoustical cues suggests that listeners judged source distance using mainly changes in the overall intensity of the auditory stimulus with distance rather than the direct-to-reverberant energy ratio, even for low-frequency noise bands (which typically induce high amount of reverberation. The results obtained in this study show that, depending on

Source profiles and contributions of biofuel combustion for PM2.5, PM10 and their compositions, in a city influenced by biofuel stoves.

Science.gov (United States)

Tian, Ying-Ze; Chen, Jia-Bao; Zhang, Lin-Lin; Du, Xin; Wei, Jin-Jin; Fan, Hui; Xu, Jiao; Wang, Hai-Ting; Guan, Liao; Shi, Guo-Liang; Feng, Yin-Chang

2017-12-01

Source and ambient samples were collected in a city in China that uses considerable biofuel, to assess influence of biofuel combustion and other sources on particulate matter (PM). Profiles and size distribution of biofuel combustion were investigated. Higher levels in source profiles, a significant increase in heavy-biomass ambient and stronger correlations of K + , Cl - , OC and EC suggest that they can be tracers of biofuel combustion. And char-EC/soot-EC (8.5 for PM 2.5 and 15.8 for PM 10 of source samples) can also be used to distinguish it. In source samples, water-soluble organic carbon (WSOC) were approximately 28.0%-68.8% (PM 2.5 ) and 27.2%-43.8% (PM 10 ) of OC. For size distribution, biofuel combustion mainly produces smaller particles. OC1, OC2, EC1 and EC2 abundances showed two peaks with one below 1 μm and one above 2 μm. An advanced three-way factory analysis model was applied to quantify source contributions to ambient PM 2.5 and PM 10 . Higher contributions of coal combustion, vehicular emission, nitrate and biofuel combustion occurred during the heavy-biomass period, and higher contributions of sulfate and crustal dust were observed during the light-biomass period. Mass and percentage contributions of biofuel combustion were significantly higher in heavy-biomass period. The biofuel combustion attributed above 45% of K + and Cl - , above 30% of EC and about 20% of OC. In addition, through analysis of source profiles and contributions, they were consistently evident that biofuel combustion and crustal dust contributed more to cation than to anion, while sulfate & SOC and nitrate showed stronger influence on anion than on cation. Copyright © 2017 Elsevier Ltd. All rights reserved.

``Making the Molecular Movie'': First Frames

Science.gov (United States)

Miller, R. J. Dwayne

2011-03-01

Femtosecond Electron Diffraction has enabled atomic resolution to structural changes as they occur, essentially watching atoms move in real time--directly observe transition states. This experiment has been referred to as ``making the molecular movie'' and has been previously discussed in the context of a gedanken experiment. With the recent development of femtosecond electron pulses with sufficient number density to execute single shot structure determinations, this experiment has been finally realized. A new concept in electron pulse generation was developed based on a solution to the N-body electron propagation problem involving up to 10,000 interacting electrons that has led to a new generation of extremely bright electron pulsed sources that minimizes space charge broadening effects. Previously thought intractable problems of determining t=0 and fully characterizing electron pulses on the femtosecond time scale have now been solved through the use of the laser pondermotive potential to provide a time dependent scattering source. Synchronization of electron probe and laser excitation pulses is now possible with an accuracy of 10 femtoseconds to follow even the fastest nuclear motions. The camera for the ``molecular movie'' is well in hand based on high bunch charge electron sources. Several movies depicting atomic motions during passage through structural transitions will be shown. Atomic level views of the simplest possible structural transition, melting, will be presented for a number of systems in which both thermal and purely electronically driven atomic displacements can be correlated to the degree of directional bonding. Optical manipulation of charge distributions and effects on interatomic forces/bonding can be directly observed through the ensuing atomic motions. New phenomena involving strongly correlated electron systems will be presented in which an exceptionally cooperative phase transitions has been observed. The primitive origin of molecular

Indoor concentrations of radon 222 and its daughters: sources, range, and environmental influences

International Nuclear Information System (INIS)

Nero, A.V. Jr.

1985-04-01

The author here reviews what is presently known about factors affecting indoor concentrations of radon 222 and its daughters. In US single-family homes, radon concentrations are found to average about 1.5 pCi/1, but substantially higher concentrations occur frequently: perhaps a million US homes have concentrations exceeding 8 pCi/1 (from which occupants receive radiation doses comparable to those now experienced by uranium miners). The major contributor to indoor radon is ordinary soil underlying homes, with this radon being transported indoors primarily by the slight depressurization that occurs toward the bottom of a house interior (due to indoor-outdoor temperature differences and winds). Water from underground sources contributes significantly in a minority of cases, primarily residences with private wells, with public water supplies contributing only a few percent of indoor radon, even when drawn from wells. The strong variability in indoor concentrations is associated primarily with variability in the amount of radon entering homes from these various sources, and secondarily with differences in ventilation rates. However, for a given entry rate, the ventilation rate is the key determinant of indoor concentrations. Human doses are also influenced strongly by the chemical behavior of the daughters (i.e., decay products of radon), and considerable progress has been made recently in investigating a major aspect of this behavior, i.e., the manner in which daughters attach to airborne particles, to walls, and - indeed - to the lining of the lung itself, where the key radiation dose occurs

High temperature and high resolution uv photoelectron spectroscopy using supersonic molecular beams

International Nuclear Information System (INIS)

Wang, Lai-Sheng; Reutt-Robey, J.E.; Niu, B.; Lee, Y.T.; Shirley, D.A.

1989-07-01

A high temperature molecular beam source with electron bombardment heating has been built for high resolution photoelectron spectroscopic studies of high temperature species and clusters. This source has the advantages of: producing an intense, continuous, seeded molecular beam, eliminating the interference of the heating mechanism from the photoelectron measurement. Coupling the source with our hemispherical electron energy analyzer, we can obtain very high resolution HeIα (584 angstrom) photoelectron spectra of high temperature species. Vibrationally-resolved photoelectron spectra of PbSe, As 2 , As 4 , and ZnCl 2 are shown to demonstrate the performance of the new source. 25 refs., 8 figs., 1 tab

A combined thermal dissociation and electron impact ionization source for radioactive ion beam generationa

International Nuclear Information System (INIS)

Alton, G.D.; Williams, C.

1996-01-01

The probability for simultaneously dissociating and efficiently ionizing the individual atomic constituents of molecular feed materials with conventional, hot-cathode, electron-impact ion sources is low and consequently, the ion beams from these sources often appear as mixtures of several molecular sideband beams. This fragmentation process leads to dilution of the intensity of the species of interest for radioactive ion beam (RIB) applications where beam intensity is at a premium. We have conceived an ion source that combines the excellent molecular dissociation properties of a thermal dissociator and the high ionization efficiency characteristics of an electron impact ionization source that will, in principle, overcome this handicap. The source concept will be evaluated as a potential candidate for use for RIB generation at the Holifield Radioactive Ion Beam Facility, now under construction at the Oak Ridge National Laboratory. The design features and principles of operation of the source are described in this article. copyright 1996 American Institute of Physics

Interaction with a high-versus low-competence influence source in inductive reasoning.

Science.gov (United States)

Butera, Fabrizio; Caverni, Jean-Paul; Rossi, Sandrine

2005-04-01

Literature on inductive reasoning shows that when testing hypotheses, people are biased toward the use of confirmatory strategies (P. C. Wason, 1960). In the present article, the authors presented 2 studies showing how people use confirmation and disconfirmation strategies during actual interaction in problem solving. Study 1 showed that participants were able to learn to use disconfirmation when confronted with a low-competence, nonthreatening partner. When the partner was high in competence (thereby threatening the participant's competence), participants used confirmation, even when the partner used disconfirmation. In Study 2, the authors aimed at generalizing the aforementioned results by exploring the hypothesis that disconfirmation stems from the possibility of diverging from norms. Participants who were confronted with the violation of a conversational norm used a high proportion of disconfirmation, whatever the source of influence. When there was no violation but there was a low-competence partner, the proportion of disconfirmation was high; when there was no violation but there was a high-competence partner, the proportion of disconfirmation was low. The authors discussed the interpersonal functions of confirmation and disconfirmation.

Low-molecular-weight organoiodine and organobromine compounds released by polar macroalgae--the influence of abiotic factors.

Science.gov (United States)

Laturnus, F; Giese, B; Wiencke, C; Adams, F C

2000-01-01

The influence of temperature, light, salinity and nutrient availability on the release of volatile halogenated hydrocarbons was investigated in the Antarctic red macroalgal species Gymnogongrus antarcticus Skottsberg. Compared to standard culture condition, an increase in the release rates of iodocompounds was generally found for the exposure of the alga to altered environmental conditions. Macroalgae exhibited higher release rates after adaptation for two months to the changed factors, than after short-term exposure. Monitoring the release rates during a 24 h incubation period (8.25 h light, 15.75 h darkness) showed that changes between light and dark periods had no influence on the release of volatile halocarbons. Compounds like bromoform and 1-iodobutane exhibited constant release rates during the 24 h period. The formation mechanisms and biological role of volatile organohalogens are discussed. Although marine macroalgae are not considered to be the major source of biogenically-produced volatile organohalogens, they contribute significantly to the bromine and iodine cycles in the environment. Under possible environmental changes like global warming and uncontrolled entrophication of the oceans their significance may be increase.

DNA topology influences molecular machine lifetime in human serum

Science.gov (United States)

Goltry, Sara; Hallstrom, Natalya; Clark, Tyler; Kuang, Wan; Lee, Jeunghoon; Jorcyk, Cheryl; Knowlton, William B.; Yurke, Bernard; Hughes, William L.; Graugnard, Elton

2015-06-01

DNA nanotechnology holds the potential for enabling new tools for biomedical engineering, including diagnosis, prognosis, and therapeutics. However, applications for DNA devices are thought to be limited by rapid enzymatic degradation in serum and blood. Here, we demonstrate that a key aspect of DNA nanotechnology--programmable molecular shape--plays a substantial role in device lifetimes. These results establish the ability to operate synthetic DNA devices in the presence of endogenous enzymes and challenge the textbook view of near instantaneous degradation.DNA nanotechnology holds the potential for enabling new tools for biomedical engineering, including diagnosis, prognosis, and therapeutics. However, applications for DNA devices are thought to be limited by rapid enzymatic degradation in serum and blood. Here, we demonstrate that a key aspect of DNA nanotechnology--programmable molecular shape--plays a substantial role in device lifetimes. These results establish the ability to operate synthetic DNA devices in the presence of endogenous enzymes and challenge the textbook view of near instantaneous degradation. Electronic supplementary information (ESI) available: DNA sequences, fluorophore and quencher properties, equipment design, and degradation studies. See DOI: 10.1039/c5nr02283e

Advancing the education in molecular diagnostics: the IFCC-Initiative "Clinical Molecular Biology Curriculum" (C-CMBC); a ten-year experience.

Science.gov (United States)

Lianidou, Evi; Ahmad-Nejad, Parviz; Ferreira-Gonzalez, Andrea; Izuhara, Kenji; Cremonesi, Laura; Schroeder, Maria-Eugenia; Richter, Karin; Ferrari, Maurizio; Neumaier, Michael

2014-09-25

Molecular techniques are becoming commonplace in the diagnostic laboratory. Their applications influence all major phases of laboratory medicine including predisposition/genetic risk, primary diagnosis, therapy stratification and prognosis. Readily available laboratory hardware and wetware (i.e. consumables and reagents) foster rapid dissemination to countries that are just establishing molecular testing programs. Appropriate skill levels extending beyond the technical procedure are required for analytical and diagnostic proficiency that is mandatory in molecular genetic testing. An international committee (C-CMBC) of the International Federation for Clinical Chemistry (IFCC) was established to disseminate skills in molecular genetic testing in member countries embarking on the respective techniques. We report the ten-year experience with different teaching and workshop formats for beginners in molecular diagnostics. Copyright © 2014 Elsevier B.V. All rights reserved.

Laser sources and techniques for spectroscopy and dynamics

Energy Technology Data Exchange (ETDEWEB)

Kung, A.H. [Lawrence Berkeley Laboratory, CA (United States)

1993-12-01

This program focuses on the development of novel laser and spectroscopic techniques in the IR, UV, and VUV regions for studying combustion related molecular dynamics at the microscopic level. Laser spectroscopic techniques have proven to be extremely powerful in the investigation of molecular processes which require very high sensitivity and selectivity. The authors approach is to use quantum electronic and non-linear optical techniques to extend the spectral coverage and to enhance the optical power of ultrahigh resolution laser sources so as to obtain and analyze photoionization, fluorescence, and photoelectron spectra of jet-cooled free radicals and of reaction products resulting from unimolecular and bimolecular dissociations. New spectroscopic techniques are developed with these sources for the detection of optically thin and often short-lived species. Recent activities center on regenerative amplification of high resolution solid-state lasers, development of tunable high power mid-IR lasers and short-pulse UV/VUV tunable lasers, and development of a multipurpose high-order suppressor crossed molecular beam apparatus for use with synchrotron radiation sources. This program also provides scientific and technical support within the Chemical Sciences Division to the development of LBL`s Combustion Dynamics Initiative.

Composition and sources of carbonaceous aerosols in Northern Europe during winter

Science.gov (United States)

Glasius, M.; Hansen, A. M. K.; Claeys, M.; Henzing, J. S.; Jedynska, A. D.; Kasper-Giebl, A.; Kistler, M.; Kristensen, K.; Martinsson, J.; Maenhaut, W.; Nøjgaard, J. K.; Spindler, G.; Stenström, K. E.; Swietlicki, E.; Szidat, S.; Simpson, D.; Yttri, K. E.

2018-01-01

Sources of elemental carbon (EC) and organic carbon (OC) in atmospheric aerosols (carbonaceous aerosols) were investigated by collection of weekly aerosol filter samples at six background sites in Northern Europe (Birkenes, Norway; Vavihill, Sweden; Risoe, Denmark; Cabauw and Rotterdam in The Netherlands; Melpitz, Germany) during winter 2013. Analysis of 14C and a set of molecular tracers were used to constrain the sources of EC and OC. During the four-week campaign, most sites (in particular those in Germany and The Netherlands) were affected by an episode during the first two weeks with high concentrations of aerosol, as continental air masses were transported westward. The analysis results showed a clear, increasing north to south gradient for most molecular tracers. Total carbon (TC = OC + EC) at Birkenes showed an average concentration of 0.5 ± 0.3 μg C m-3, whereas the average concentration at Melpitz was 6.0 ± 4.3 μg C m-3. One weekly mean TC concentration as high as 11 μg C m-3 was observed at Melpitz. Average levoglucosan concentrations varied by an order of magnitude from 25 ± 13 ng m-3 (Birkenes) to 249 ± 13 ng m-3 (Melpitz), while concentrations of tracers of fungal spores (arabitol and mannitol) and vegetative debris (cellulose) were very low, showing a minor influence of primary biological aerosol particles during the North European winter. The fraction of modern carbon generally varied from 0.57 (Melpitz) to 0.91 (Birkenes), showing an opposite trend compared to the molecular tracers and TC. Total concentrations of 10 biogenic and anthropogenic carboxylic acids, mainly of secondary origin, were 4-53 ng m-3, with the lowest concentrations observed at Birkenes and the highest at Melpitz. However, the highest relative concentrations of carboxylic acids (normalized to TC) were observed at the most northern sites. Levels of organosulphates and nitrooxy organosulphates varied more than two orders of magnitude, from 2 to 414 ng m-3, between

High Molecular Weight Adiponectin Levels are Neither Influenced by Adiponectin Polymorphisms Nor Associated with Insulin Resistance in Mixed-Ancestry Hyperglycemic Subjects from South Africa

Directory of Open Access Journals (Sweden)

Zemlin Annalise E

2016-10-01

Full Text Available Background: High molecular weight (HMW adiponectin has antiatherogenic, antiinflammatory and antidiabetic properties and these effects have been linked to its effect on high density lipoprotein cholesterol (HDL-c. Single nucleotide polymorphisms (SNPs in the adiponectin gene influence adiponectin levels. We examined the relationship between HMW-adiponectin levels and cardiometabolic traits in normo- and hyperglycemic mixed ancestry South Africans and correlated these levels to two common polymorphisms.

Optically pumped semiconductor lasers for atomic and molecular physics

Science.gov (United States)

Burd, S.; Leibfried, D.; Wilson, A. C.; Wineland, D. J.

2015-03-01

Experiments in atomic, molecular and optical (AMO) physics rely on lasers at many different wavelengths and with varying requirements on spectral linewidth, power and intensity stability. Optically pumped semiconductor lasers (OPSLs), when combined with nonlinear frequency conversion, can potentially replace many of the laser systems currently in use. We are developing a source for laser cooling and spectroscopy of Mg+ ions at 280 nm, based on a frequency quadrupled OPSL with the gain chip fabricated at the ORC at Tampere Univ. of Technology, Finland. This OPSL system could serve as a prototype for many other sources used in atomic and molecular physics.

Effect of molecular weight reduction by gamma irradiation on chitosan film properties

Energy Technology Data Exchange (ETDEWEB)

García, Mario A., E-mail: marioifal@gmail.com [Pharmacy and Food Institute, University of Havana, St. 222 No. 2317, ZC 13600 Havana (Cuba); Pérez, Liliam [Pharmacy and Food Institute, University of Havana, St. 222 No. 2317, ZC 13600 Havana (Cuba); Paz, Nilia de la [Drugs Research and Development Center, Ave. 26 No. 1605, Havana (Cuba); González, Juan [Food Industry Research Institute, Carretera al Guatao km 3 1/2, Havana, CP 19200 (Cuba); Rapado, Manuel [Radiobiology Department, Center for Technological Applications and Nuclear Development, St. 30 No. 502, Playa, Havana (Cuba); Casariego, Alicia [Pharmacy and Food Institute, University of Havana, St. 222 No. 2317, ZC 13600 Havana (Cuba)

2015-10-01

The present work aimed the influence of molecular weight (MW) reduction by irradiation with {sup 60}Co and polymer concentration on some physical properties of chitosan films. Irradiation of chitosan with a MW of 275.221 kDa and 74.74% of deacetylation degree was performed using a {sup 60}Co source to provide doses of 5, 10, 20 and 50 kGy to obtain chitosans with molecular weights of 247.847, 221.563, 126.469 and 77.063 kDa, respectively. Films were prepared via the solution casting method. Film-forming solutions (FFS) of chitosan irradiated or not, were prepared at 1.5 and 2% (w/v) in a solution of lactic acid at 1% (v/v) and 0.1% (v/v) of Tween 80. The FFS were poured into glass plates of 400 cm{sup 2} and dried at 60 °C during 10 h without airflow. The decrease of MW and increase of chitosan concentration increased the tensil strength and water vapor permeability while decreased the elongation at break of the films. The chitosan MW did not significantly influence (p > 0.05) the water solubility of films within a same polymer concentration. There was a decrease in the films' brightness with the increase of concentration and a decrease of the MW of irradiated chitosan, while the b* values of films increased and there was an increasing tendency of their apparent opacity. - Highlights: • MW reduction by {sup 60}Co irradiation increased the tensil strength of chitosan films. • MW reduction increased the water vapor permeability of chitosan films. • MW did not affect the films' water solubility within a same chitosan concentration. • Films' brightness decreased with the chitosan molecular weight reduction.

Effect of molecular weight reduction by gamma irradiation on chitosan film properties

International Nuclear Information System (INIS)

García, Mario A.; Pérez, Liliam; Paz, Nilia de la; González, Juan; Rapado, Manuel; Casariego, Alicia

2015-01-01

The present work aimed the influence of molecular weight (MW) reduction by irradiation with 60 Co and polymer concentration on some physical properties of chitosan films. Irradiation of chitosan with a MW of 275.221 kDa and 74.74% of deacetylation degree was performed using a 60 Co source to provide doses of 5, 10, 20 and 50 kGy to obtain chitosans with molecular weights of 247.847, 221.563, 126.469 and 77.063 kDa, respectively. Films were prepared via the solution casting method. Film-forming solutions (FFS) of chitosan irradiated or not, were prepared at 1.5 and 2% (w/v) in a solution of lactic acid at 1% (v/v) and 0.1% (v/v) of Tween 80. The FFS were poured into glass plates of 400 cm 2 and dried at 60 °C during 10 h without airflow. The decrease of MW and increase of chitosan concentration increased the tensil strength and water vapor permeability while decreased the elongation at break of the films. The chitosan MW did not significantly influence (p > 0.05) the water solubility of films within a same polymer concentration. There was a decrease in the films' brightness with the increase of concentration and a decrease of the MW of irradiated chitosan, while the b* values of films increased and there was an increasing tendency of their apparent opacity. - Highlights: • MW reduction by 60 Co irradiation increased the tensil strength of chitosan films. • MW reduction increased the water vapor permeability of chitosan films. • MW did not affect the films' water solubility within a same chitosan concentration. • Films' brightness decreased with the chitosan molecular weight reduction

Molecular techniques: An overview of methods for the detection of ...

African Journals Online (AJOL)

Several DNA molecular markers are now available for use in surveillance and investigation of food-borne outbreaks that were previously difficult to detect. The results from several sources of literature indicate substantially different degrees of sensitivities between conventional detection methods and molecular-based ...

Synthesis and properties of aqueous polyurethane dispersions: Influence of molecular weight of polyethylene glycol

Energy Technology Data Exchange (ETDEWEB)

Mumtaz, Fatima; Zuber, Mohammad; Zia, Khalid Mahmood [Government College University, Faisalabad (Pakistan); Jamil, Tahir [University of the Punjab, Lahore (Pakistan); Hussain, Rizwan [National Engineering and Scientific Commission (NESCOM), Islamabad (Pakistan)

2013-12-15

Aqueous polyurethane dispersions (PUDs) have recently emerged as important alternatives to their solvent-based counterparts for various applications due to increasing health and environmental awareness. A series of aqueous polyurethane dispersions containing carboxylate anion as hydrophilic pendant groups were synthesized through step growth polymerization reaction using hexamethylene diisocyanate (HDI), 1,4-butanediol (1,4-BDO), dimethylol propionic acid (DMPA) and polyethylene glycol (PEG) of different molecular weight. Effect of PEG molecular weight was investigated on molecular structure, contact angle measurement, and physical and adhesive properties of PU emulsions. Fourier transform infrared spectroscopy (FT-IR) was used to check the completion of polymerization reaction. Contact angle measurement indicated that the hydrophilicity of polymer increases by increasing molecular weight of PEG with a corresponding decrease in contact angle. Results of T-peel test showed a decrease in peel strength by increasing molecular weight of PEG. Moreover, solid contents%, drying time and storage stability suggested fast drying properties and greater stability of aqueous PU dispersions.

Compact ion accelerator source

Science.gov (United States)

Schenkel, Thomas; Persaud, Arun; Kapadia, Rehan; Javey, Ali

2014-04-29

An ion source includes a conductive substrate, the substrate including a plurality of conductive nanostructures with free-standing tips formed on the substrate. A conductive catalytic coating is formed on the nanostructures and substrate for dissociation of a molecular species into an atomic species, the molecular species being brought in contact with the catalytic coating. A target electrode placed apart from the substrate, the target electrode being biased relative to the substrate with a first bias voltage to ionize the atomic species in proximity to the free-standing tips and attract the ionized atomic species from the substrate in the direction of the target electrode.

The influence of starch molecular mass on the properties of extruded thermoplastic starch

NARCIS (Netherlands)

Vliegenthart, J.F.G.; Soest, J.J.G. van; Benes, K.; Wit, D. de

1996-01-01

The mechanical properties of a low and a high molecular mass thermoplastic starch (TPS) were monitored at water contents in the range of 5–30% (w/w). The granular starches were plasticized by extrusion processing with glycerol and water. The low molecular mass starch was prepared by partial acid

Tissue Source and Cell Expansion Condition Influence Phenotypic Changes of Adipose-Derived Stem Cells

Science.gov (United States)

Mangum, Lauren H.; Stone, Randolph; Wrice, Nicole L.; Larson, David A.; Florell, Kyle F.; Christy, Barbara A.; Herzig, Maryanne C.; Cap, Andrew P.

2017-01-01

Stem cells derived from the subcutaneous adipose tissue of debrided burned skin represent an appealing source of adipose-derived stem cells (ASCs) for regenerative medicine. Traditional tissue culture uses fetal bovine serum (FBS), which complicates utilization of ASCs in human medicine. Human platelet lysate (hPL) is one potential xeno-free, alternative supplement for use in ASC culture. In this study, adipogenic and osteogenic differentiation in media supplemented with 10% FBS or 10% hPL was compared in human ASCs derived from abdominoplasty (HAP) or from adipose associated with debrided burned skin (BH). Most (95–99%) cells cultured in FBS were stained positive for CD73, CD90, CD105, and CD142. FBS supplementation was associated with increased triglyceride content and expression of adipogenic genes. Culture in hPL significantly decreased surface staining of CD105 by 31% and 48% and CD142 by 27% and 35% in HAP and BH, respectively (p < 0.05). Culture of BH-ASCs in hPL also increased expression of markers of osteogenesis and increased ALP activity. These data indicate that application of ASCs for wound healing may be influenced by ASC source as well as culture conditions used to expand them. As such, these factors must be taken into consideration before ASCs are used for regenerative purposes. PMID:29138638

Tissue Source and Cell Expansion Condition Influence Phenotypic Changes of Adipose-Derived Stem Cells

Directory of Open Access Journals (Sweden)

Lauren H. Mangum

2017-01-01

Full Text Available Stem cells derived from the subcutaneous adipose tissue of debrided burned skin represent an appealing source of adipose-derived stem cells (ASCs for regenerative medicine. Traditional tissue culture uses fetal bovine serum (FBS, which complicates utilization of ASCs in human medicine. Human platelet lysate (hPL is one potential xeno-free, alternative supplement for use in ASC culture. In this study, adipogenic and osteogenic differentiation in media supplemented with 10% FBS or 10% hPL was compared in human ASCs derived from abdominoplasty (HAP or from adipose associated with debrided burned skin (BH. Most (95–99% cells cultured in FBS were stained positive for CD73, CD90, CD105, and CD142. FBS supplementation was associated with increased triglyceride content and expression of adipogenic genes. Culture in hPL significantly decreased surface staining of CD105 by 31% and 48% and CD142 by 27% and 35% in HAP and BH, respectively (p<0.05. Culture of BH-ASCs in hPL also increased expression of markers of osteogenesis and increased ALP activity. These data indicate that application of ASCs for wound healing may be influenced by ASC source as well as culture conditions used to expand them. As such, these factors must be taken into consideration before ASCs are used for regenerative purposes.

NGLview-interactive molecular graphics for Jupyter notebooks.

Science.gov (United States)

Nguyen, Hai; Case, David A; Rose, Alexander S

2018-04-01

NGLview is a Jupyter/IPython widget to interactively view molecular structures as well as trajectories from molecular dynamics simulations. Fast and scalable molecular graphics are provided through the NGL Viewer. The widget supports showing data from the file-system, online data bases and from objects of many popular analysis libraries including mdanalysis, mdtraj, pytraj, rdkit and more. The source code is freely available under the MIT license at https://github.com/arose/nglview. Python packages are available from PyPI and bioconda. NGLview uses Python on the server-side and JavaScript on the client. The integration with Jupyter is done through the ipywidgets package. The NGL Viewer is embedded client-side to provide WebGL accelerated molecular graphics. asr.moin@gmail.com.

New filter media development for effective control of trimethysilanol (TMS) and related low molecular weight silicon containing organic species in the photobay ambient

Science.gov (United States)

Grayfer, Anatoly; Belanger, Frank V.; Cate, Phillip; Ruede, David

2007-03-01

The authors present results of extensive studies on the chemical behavior of low molecular weight silicon-containing species (LMWS) and associated challenges of their analytical determination and control to prevent adverse influence on critical optical elements of exposure tools. In their paper the authors describe a non-traditional approach to the creation of a TMS gaseous source for filter media development and an engineering solution to the challenge of controlling LMWS - a solution that shows a significant advantage over currently existing approaches.

Gas chromatography-mass spectrometry with supersonic molecular beams.

Science.gov (United States)

Amirav, Aviv; Gordin, Alexander; Poliak, Marina; Fialkov, Alexander B

2008-02-01

Gas chromatography-mass spectrometry (GC-MS) with supersonic molecular beams (SMBs) (also named Supersonic GC-MS) is based on GC and MS interface with SMBs and on the electron ionization (EI) of vibrationally cold analytes in the SMBs (cold EI) in a fly-through ion source. This ion source is inherently inert and further characterized by fast response and vacuum background filtration capability. The same ion source offers three modes of ionization including cold EI, classical EI and cluster chemical ionization (CI). Cold EI, as a main mode, provides enhanced molecular ions combined with an effective library sample identification, which is supplemented and complemented by a powerful isotope abundance analysis method and software. The range of low-volatility and thermally labile compounds amenable for analysis is significantly increased owing to the use of the contact-free, fly-through ion source and the ability to lower sample elution temperatures through the use of high column carrier gas flow rates. Effective, fast GC-MS is enabled particularly owing to the possible use of high column flow rates and improved system selectivity in view of the enhancement of the molecular ion. This fast GC-MS with SMB can be further improved via the added selectivity of MS-MS, which by itself benefits from the enhancement of the molecular ion, the most suitable parent ion for MS-MS. Supersonic GC-MS is characterized by low limits of detection (LOD), and its sensitivity is superior to that of standard GC-MS, particularly for samples that are hard for analysis. The GC separation of the Supersonic GC-MS can be improved with pulsed flow modulation (PFM) GC x GC-MS. Electron ionization LC-MS with SMB can also be combined with the Supersonic GC-MS, with fast and easy switching between these two modes of operation. (c) 2008 John Wiley & Sons, Ltd.

Molecular alignment dependent electron interference in attosecond ultraviolet photoionization

Directory of Open Access Journals (Sweden)

Kai-Jun Yuan

2015-01-01

Full Text Available We present molecular photoionization processes by intense attosecond ultraviolet laser pulses from numerical solutions of time-dependent Schrödinger equations. Simulations preformed on a single electron diatomic H2+ show minima in molecular photoelectron energy spectra resulting from two center interference effects which depend strongly on molecular alignment. We attribute such sensitivity to the spatial orientation asymmetry of the photoionization process from the two nuclei. A similar influence on photoelectron kinetic energies is also presented.

Molecular alignment dependent electron interference in attosecond ultraviolet photoionization

Science.gov (United States)

Yuan, Kai-Jun; Bandrauk, André D.

2015-01-01

We present molecular photoionization processes by intense attosecond ultraviolet laser pulses from numerical solutions of time-dependent Schrödinger equations. Simulations preformed on a single electron diatomic H2+ show minima in molecular photoelectron energy spectra resulting from two center interference effects which depend strongly on molecular alignment. We attribute such sensitivity to the spatial orientation asymmetry of the photoionization process from the two nuclei. A similar influence on photoelectron kinetic energies is also presented. PMID:26798785

Influence of different fibre sources in diets for growing pigs on chemical composition of faeces and slurry and ammonia emission from slurry

DEFF Research Database (Denmark)

Hansen, Michael Jørgen; Chwalibog, André; Tauson, Anne-Helene

2007-01-01

The present study was carried out to investigate how three different fibre sources, sugar beet pulp, soya bean hulls and pectin residue, in diets for growing pigs influenced the concentration of short-chain fatty acids (SCFA) in faeces, pH-value in faeces and slurry, excretion of nitrogen in urine...

Influence of thermal barrier effect of grain boundaries on bulk cascades in alpha-zirconium revealed by molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Jin, Yanan; Lai, Wensheng, E-mail: wslai@tsinghua.edu.cn

2016-03-15

The effect of grain boundaries (GBs) on bulk cascades in nano-structured alpha-zirconium has been studied by molecular dynamics (MD) simulations. It turns out that the existence of GBs increases the defect productivity in grains, suggesting that the GBs may act as a thermal barrier and postpone the annihilation of defects within grains. Moreover, it is found that the thermal barrier effect of GBs facilitates the shift of symmetric tilt GBs to the grain with higher temperature, and the smaller the tilt angle is, the easier the boundary shift will be. Thus, the influence of GBs on radiation damage in the nano-structured materials comes from the competition between damage increase in grains and defect annihilation at GBs.

Far-infrared observations of Sagittarius B2 - reconsideration of source structure

International Nuclear Information System (INIS)

Thronson, H.A. Jr.; Harper, D.A.; Yerkes Observatory, Williams Bay, WI)

1986-01-01

New moderate-angular-resolution far-infrared observations of the Sagittarius B2 star-forming region are presented, discussed, and compared with recent radio molecular and continuum observations of this source. In contrast to previous analyses, its far-infrared spectrum is interpreted as the result of a massive frigid cloud overlying a more-or-less normal infrared source, a natural explanation for the object's previously-noted peculiarities. The characteristics derived for the obscuring cloud are similar to those found for the W51 MAIN object. Both sources have high sub-millimeter surface brightness, a high ratio of sub-millimeter to far-infrared flux, and numerous regions of molecular maser emission. 28 references

Characterization and modeling of the heat source

Energy Technology Data Exchange (ETDEWEB)

Glickstein, S.S.; Friedman, E.

1993-10-01

A description of the input energy source is basic to any numerical modeling formulation designed to predict the outcome of the welding process. The source is fundamental and unique to each joining process. The resultant output of any numerical model will be affected by the initial description of both the magnitude and distribution of the input energy of the heat source. Thus, calculated weld shape, residual stresses, weld distortion, cooling rates, metallurgical structure, material changes due to excessive temperatures and potential weld defects are all influenced by the initial characterization of the heat source. Understandings of both the physics and the mathematical formulation of these sources are essential for describing the input energy distribution. This section provides a brief review of the physical phenomena that influence the input energy distributions and discusses several different models of heat sources that have been used in simulating arc welding, high energy density welding and resistance welding processes. Both simplified and detailed models of the heat source are discussed.

The influence of nanoparticles on the phase and structural ordering for nematic liquid crystals

Energy Technology Data Exchange (ETDEWEB)

Kralj, S; Bradac, Z [Faculty of Natural Sciences and Mathematics, University of Maribor, Koroska 160, 2000 Maribor (Slovenia); Popa-Nita, V [Faculty of Physics, University of Bucharest, PO Box MG-11, Bucharest 077125 (Romania)], E-mail: samo.kralj@uni-mb.si

2008-06-18

We study the influence of nanoparticles (NPs) on liquid crystal (LC) ordering. As regards the structural ordering we consider NPs as a source of a quenched random field. Roughly such a situation is encountered in mixtures of LCs and aerosil NPs (aerosil NPs are spherular ones). Using the semi-microscopic lattice model and Brownian molecular simulation we show that after a quench from the isotropic phase a quasi-stable domain pattern forms. The characteristic size of an average domain is inversely proportional to the concentration of NPs, and domain patterns exhibit memory effects. In the study of the phase behaviour we limit consideration to NPs resembling LC molecules. A Landau-type free energy expression is derived for the mixture, originating from the Maier-Saupe molecular approach. We show that the resulting phase behaviour exhibits the slave-master behaviour as the temperature or pressure is varied.

[On the influence of local molecular environment on the redox potential of electron transfer cofactors in bacterial photosynthetic reaction centers].

Science.gov (United States)

Krasil'nikov, P M; Noks, P P; Rubin, A B

2011-01-01

The addition of cryosolvents (glycerol, dimethylsulfoxide) to a water solution containing bacterial photosynthetic reaction centers changes the redox potential of the bacteriochlorophyll dimer, but does not affect the redox potential of the quinone primary acceptor. It has been shown that the change in redox potential can be produced by changes of the electrostatic interactions between cofactors and the local molecular environment modified by additives entered into the solution. The degree of influence of a solvent on the redox potential of various cofactors is determined by degree of availability of these cofactors for molecules of solvent, which depends on the arrangement of cofactors in the structure of reaction centers.

A Bayesian approach to estimating hidden variables as well as missing and wrong molecular interactions in ordinary differential equation-based mathematical models.

Science.gov (United States)

Engelhardt, Benjamin; Kschischo, Maik; Fröhlich, Holger

2017-06-01

Ordinary differential equations (ODEs) are a popular approach to quantitatively model molecular networks based on biological knowledge. However, such knowledge is typically restricted. Wrongly modelled biological mechanisms as well as relevant external influence factors that are not included into the model are likely to manifest in major discrepancies between model predictions and experimental data. Finding the exact reasons for such observed discrepancies can be quite challenging in practice. In order to address this issue, we suggest a Bayesian approach to estimate hidden influences in ODE-based models. The method can distinguish between exogenous and endogenous hidden influences. Thus, we can detect wrongly specified as well as missed molecular interactions in the model. We demonstrate the performance of our Bayesian dynamic elastic-net with several ordinary differential equation models from the literature, such as human JAK-STAT signalling, information processing at the erythropoietin receptor, isomerization of liquid α -Pinene, G protein cycling in yeast and UV-B triggered signalling in plants. Moreover, we investigate a set of commonly known network motifs and a gene-regulatory network. Altogether our method supports the modeller in an algorithmic manner to identify possible sources of errors in ODE-based models on the basis of experimental data. © 2017 The Author(s).

Influences of Structure Disorder and Temperature on Properties of Proton Conductivity in Hydrogen-Bond Molecular Systems

Institute of Scientific and Technical Information of China (English)

PANG Xiao-Feng; YU Jia-Feng

2007-01-01

The dynamic properties of proton conductivity along hydrogen-bonded molecular systems,for example,ice crystal,with structure disorder or damping and finite temperatures exposed in an externally applied electric-field have been numerically studied by Runge-Kutta way in our Soliton model.The results obtained show that the proton-soliton is very robust against the structure disorder including the fluctuation of the force constant and disorder in the sequence of masses and thermal perturbation and damping of medium,the velocity of its conductivity increases with increasing of the externally applied electric-field and decreasing of the damping coefficient of medium,but the proton-soliton disperses for quite great fluctuation of the force constant and damping coefficient.In the numerical simulation we find that the proton-soliton in our model is thermally stable in a large region of temperature of T ≤ 273 K under influences of damping and externally applied electric-field in ice crystal.This shows that our model is available and appropriate to ice.

Influences of Structure Disorder and Temperature on Properties of Proton Conductivity in Hydrogen-Bond Molecular Systems

International Nuclear Information System (INIS)

Pang Xiaofeng; Yu Jiafeng

2007-01-01

The dynamic properties of proton conductivity along hydrogen-bonded molecular systems, for example, ice crystal, with structure disorder or damping and finite temperatures exposed in an externally applied electric-field have been numerically studied by Runge-Kutta way in our soliton model. The results obtained show that the proton-soliton is very robust against the structure disorder including the fluctuation of the force constant and disorder in the sequence of masses and thermal perturbation and damping of medium, the velocity of its conductivity increases with increasing of the externally applied electric-field and decreasing of the damping coefficient of medium, but the proton-soliton disperses for quite great fluctuation of the force constant and damping coefficient. In the numerical simulation we find that the proton-soliton in our model is thermally stable in a large region of temperature of T≤273 K under influences of damping and externally applied electric-field in ice crystal. This shows that our model is available and appropriate to ice.

Synthesis and Characterization of Magnesium Substituted Aluminophosphate Molecular Sieves with AEL Structure

Institute of Scientific and Technical Information of China (English)

Benjing Xu; Ling Qian; Xinmei Liu; Chunmin Song; Zifeng Yan

2004-01-01

MAPO-11 molecular sieves were synthesized by hydrothermal methods. The influence of precursor of magnesium, Mg/Al ratio, synthesis temperature, synthesis time and the type of template on the formation and properties of MAPO-11 molecular sieves was examined. The samples were characterized by the techniques of X-ray diffraction (XRD), scanning electron microscopy (SEM), thermogravimetric/differential thermogravimetric analysis (TG-DGA), etc. The results show that the shape and size of crystal were influenced by the precursor of Mg, the Mg/Al ratio and the type of template, and the TG-DGA analysis shows that MAPO-11 molecular sieves as-synthesized have poor thermal stability.

Influence of incorporation method of sulfated zirconia in MCM-41 molecular sieve

International Nuclear Information System (INIS)

Pereira, C.E.; Santos, J.S.B.; Cavalcante, J.N.A.; Andrade, M.R.A.; Sousa, B.V.

2016-01-01

Sulfated metal oxides and sulfated zirconia have attracted great attention in recent years due to its high catalytic activity. The sulfated zirconia has the function of assigning the acidic material, through the formation of Bronsted acids and Lewis sites. The incorporation of sulfated zirconia in MCM-41 molecular sieve was carried out through the techniques: dry and wet. The wet process involves the use of an excess of solution on the volume of the support pores. Therefore, the concentration of the metal precursor on the support depends on the solution concentration and the pore volume of the support. In the process of incorporating by dry, the volume of the solution containing the precursor does not exceed the pore volume of the support. After either procedure, the impregnated support must be dried in order to allow the precursor compound can be converted into a catalytically active phase. This study aims to evaluate two methods of incorporation of sulfated zirconia in the mesoporous molecular sieve MCM-41. The process of merger took for wet and dry impregnation. Through the XRD patterns it was possible to identify the presence of the hexagonal structure of the molecular sieve, as well as the tetragonal and monoclinic phases of zirconia. From the spectroscopic analysis in the infrared region to the method the wet, it was possible to identify the vibrational frequencies related to the merger of sulfated zirconia in the MCM-41 structure of the molecular sieve. (author)

Capping of Silybin with β-Cyclodextrin Influences its Binding with Bovine Serum Albumin: A Study by Fluorescence Spectroscopy and Molecular Modeling

Energy Technology Data Exchange (ETDEWEB)

Natesan, Sudha; Sowrirajan, Chandrasekaran; Dhanaraj, Premnath; Enoch, Israel V. M. V. [Karunya Univ., Tamil Nadu (India)

2014-07-15

The association of silybin with β-cyclodextrin and its influence on silybin's binding with bovine serum albumin are reported. The stoichiometry, binding constant, and the structure of silybin-β-cyclodextrin inclusion complex are reported. The titrations of silybin with bovine serum albumin in the absence and presence of β-cyclodextrin are carried out and the differences in binding strengths are discussed. Molecular modeling is used to optimize the sites and mode of binding of silybin with bovine serum albumin. Forster resonance energy transfer is calculated and the proximity of interacting molecules is reported in the presence and absence of β-cyclodextrin.

Capping of Silybin with β-Cyclodextrin Influences its Binding with Bovine Serum Albumin: A Study by Fluorescence Spectroscopy and Molecular Modeling

International Nuclear Information System (INIS)

Natesan, Sudha; Sowrirajan, Chandrasekaran; Dhanaraj, Premnath; Enoch, Israel V. M. V.

2014-01-01

The association of silybin with β-cyclodextrin and its influence on silybin's binding with bovine serum albumin are reported. The stoichiometry, binding constant, and the structure of silybin-β-cyclodextrin inclusion complex are reported. The titrations of silybin with bovine serum albumin in the absence and presence of β-cyclodextrin are carried out and the differences in binding strengths are discussed. Molecular modeling is used to optimize the sites and mode of binding of silybin with bovine serum albumin. Forster resonance energy transfer is calculated and the proximity of interacting molecules is reported in the presence and absence of β-cyclodextrin

Influence of preliminary radiation-oxidizing treatment on the corrosion resistance of zirconium in conditions of action of ionizing radiation

International Nuclear Information System (INIS)

Garibov, A. A.; Aliyev, A. G.; Agayev, T. N.; Velibekova, G. Z.

2004-01-01

Today mainly water-cooled nuclear reactors predominate in atomic energetics. For safe work of nuclear reactors detection of accumulation process of explosives, formed during radiation and temperature influence on heat-carriers in contact with materials of nuclear reactors in normal and emergency regimes of work is of great importance. The main sources of molecular hydrogen formation in normal and emergency regimes are the processes of liquid and vaporous water in vapo metallic reaction [1-5]. At the result of these processes molecular hydrogen concentration in heat-carrier composition always exceeds theoretically expected concentration. One of the main ways to solve the problem of water-cooled reactors safety is detection of possibilities to raise material resistance of fuel elements and heat carrier to joint action of ionizing radiation and temperature. The second way is inhibition of radiation-catalytic activity of construction materials' surface during the process of water decomposition. It's been established, that one of the ways to raise resistance of zirconium materials to the influence of ionizing radiation is formation of thin oxide film on the surface of metals. In the given work the influence of preliminary oxidizing treatment of zirconium surface on its radiation-catalytic activity during the process of water decomposition. With this aim zirconium is exposed to preliminary influence of gamma-quantum in contact with hydrogen peroxide at different meanings of absorbed radiation dose

Development of a Submillimeter Multipass Spectrometer for the Study of Molecular Ions

Science.gov (United States)

Carroll, A.; Rocher, B.; Laas, J. C.; Deprince, B. A.; Hays, B.; Weaver, S. L. Widicus; Lang, S.

2012-06-01

We have developed a multipass spectrometer for the submillimeter spectral region that is being used to study molecular ions through gas phase spectroscopy. The optical configuration is based on the design of Perry and coworkers that was implemented in the optical regime. To our knowledge, this is the first implementation of this optical configuration at long wavelengths. The setup involves two nearly concentric spherical mirrors that focus the multiple beam passes into a small area, or ``waist'', in the middle of the sample chamber. A supersonic molecular beam is coupled to the setup so that the molecular beam crosses the optical path at the waist. Initial studies have focused on neutral test molecules to probe the physical properties of the molecular beam under various arrangements of the molecular source relative to the optical path. Current studies focus on coupling a plasma discharge source to the setup to enable the study of molecular ions. Here we present the design of this instrument, compare the spectrometer capabilities to a traditional single pass spectrometer, and discuss the results of initial spectroscopic studies.

A Molecular Description of Cellulose Biosynthesis

Science.gov (United States)

McNamara, Joshua T.; Morgan, Jacob L.W.; Zimmer, Jochen

2016-01-01

Cellulose is the most abundant biopolymer on Earth, and certain organisms from bacteria to plants and animals synthesize cellulose as an extracellular polymer for various biological functions. Humans have used cellulose for millennia as a material and an energy source, and the advent of a lignocellulosic fuel industry will elevate it to the primary carbon source for the burgeoning renewable energy sector. Despite the biological and societal importance of cellulose, the molecular mechanism by which it is synthesized is now only beginning to emerge. On the basis of recent advances in structural and molecular biology on bacterial cellulose synthases, we review emerging concepts of how the enzymes polymerize glucose molecules, how the nascent polymer is transported across the plasma membrane, and how bacterial cellulose biosynthesis is regulated during biofilm formation. Additionally, we review evolutionary commonalities and differences between cellulose synthases that modulate the nature of the cellulose product formed. PMID:26034894

Exploring coherent transport through π-stacked systems for molecular electronic devices

DEFF Research Database (Denmark)

Li, Qian; Solomon, Gemma

2014-01-01

Understanding electron transport across π-stacked systems can help to elucidate the role of intermolecular tunneling in molecular junctions and potentially with the design of high-efficiency molecular devices. Here we show how conjugation length and substituent groups influence the electron trans...

The influence of lithology on surface water sources | Science ...

Science.gov (United States)

Understanding the temporal and spatial variability of surface water sources within a basin is vital to our ability to manage the impacts of climate variability and land cover change. Water stable isotopes can be used as a tool to determine geographic and seasonal sources of water at the basin scale. Previous studies in the Coastal Range of Oregon reported that the variation in the isotopic signatures of surface water does not conform to the commonly observed “rainout effect”, which exhibits a trend of increasing isotopic depletion with rising elevation. The primary purpose of this research is to investigate the mechanisms governing seasonal and spatial variations in the isotopic signature of surface waters within the Marys River Basin, located in the leeward side of the Oregon Coastal Range. Surface water and precipitation samples were collected every 2-3 weeks for isotopic analysis of δ18O and δ2H for one year. Results indicate a significant difference in isotopic signature between watersheds underlain by basalt and sandstone. The degree of separation was the most distinct during the summer when low flows reflect deeper groundwater sources, whereas isotopic signatures during the rainy season (fall and winter) showed a greater degree of similarity between the two lithologies. This indicates that baseflow within streams drained by sandstone versus basalt is being supplied from two distinctly separate water sources. In addition, Marys River flow at the outle

Molecular scale

Directory of Open Access Journals (Sweden)

Christopher H. Childers

2016-03-01

Full Text Available This manuscript demonstrates the molecular scale cure rate dependence of di-functional epoxide based thermoset polymers cured with amines. A series of cure heating ramp rates were used to determine the influence of ramp rate on the glass transition temperature (Tg and sub-Tg transitions and the average free volume hole size in these systems. The networks were comprised of 3,3′-diaminodiphenyl sulfone (33DDS and diglycidyl ether of bisphenol F (DGEBF and were cured at ramp rates ranging from 0.5 to 20 °C/min. Differential scanning calorimetry (DSC and NIR spectroscopy were used to explore the cure ramp rate dependence of the polymer network growth, whereas broadband dielectric spectroscopy (BDS and free volume hole size measurements were used to interrogate networks’ molecular level structural variations upon curing at variable heating ramp rates. It was found that although the Tg of the polymer matrices was similar, the NIR and DSC measurements revealed a strong correlation for how these networks grow in relation to the cure heating ramp rate. The free volume analysis and BDS results for the cured samples suggest differences in the molecular architecture of the matrix polymers due to cure heating rate dependence.

The molecular environment of the pillar-like features in the H II region G46.5-0.2

Science.gov (United States)

Paron, S.; Celis Peña, M.; Ortega, M. E.; Fariña, C.; Petriella, A.; Rubio, M.; Ashley, R. P.

2017-10-01

At the interface of H II regions and molecular gas, peculiar structures appear, some of them with pillar-like shapes. Understanding their origin is important for characterizing triggered star formation and the impact of massive stars on the interstellar medium. In order to study the molecular environment and influence of radiation on two pillar-like features related to the H II region G46.5-0.2, we performed molecular line observations with the Atacama Submillimeter Telescope Experiment and spectroscopic optical observations with the Isaac Newton Telescope. From the optical observations, we identified the star that is exciting the H II region as spectral type O4-6. The molecular data allowed us to study the structure of the pillars and an HCO+ cloud lying between them. In this HCO+ cloud, which has no well-defined 12CO counterpart, we found direct evidence of star formation: two molecular outflows and two associated near-IR nebulosities. The outflow axis orientation is perpendicular to the direction of the radiation flow from the H II region. Several Class I sources are also embedded in this HCO+ cloud, showing that it is usual that young stellar objects (YSOs) form large associations occupying a cavity bounded by pillars. On the other hand, it was confirmed that the radiation-driven implosion (RDI) process is not occurring in one of the pillar tips.

Molecular electron recollision dynamics in intense circularly polarized laser pulses

Science.gov (United States)

Bandrauk, André D.; Yuan, Kai-Jun

2018-04-01

Extreme UV and x-ray table top light sources based on high-order harmonic generation (HHG) are focused now on circular polarization for the generation of circularly polarized attosecond pulses as new tools for controlling electron dynamics, such as charge transfer and migration and the generation of attosecond quantum electron currents for ultrafast magneto-optics. A fundamental electron dynamical process in HHG is laser induced electron recollision with the parent ion, well established theoretically and experimentally for linear polarization. We discuss molecular electron recollision dynamics in circular polarization by theoretical analysis and numerical simulation. The control of the polarization of HHG with circularly polarized ionizing pulses is examined and it is shown that bichromatic circularly polarized pulses enhance recollision dynamics, rendering HHG more efficient, especially in molecules because of their nonspherical symmetry. The polarization of the harmonics is found to be dependent on the compatibility of the rotational symmetry of the net electric field created by combinations of bichromatic circularly polarized pulses with the dynamical symmetry of molecules. We show how the field and molecule symmetry influences the electron recollision trajectories by a time-frequency analysis of harmonics. The results, in principle, offer new unique controllable tools in the study of attosecond molecular electron dynamics.

Development of novel HER2 inhibitors against gastric cancer derived from flavonoid source of Syzygium alternifolium through molecular dynamics and pharmacophore-based screening

Directory of Open Access Journals (Sweden)

Babu TMC

2016-11-01

Full Text Available Tirumalasetty Muni Chandra Babu,1 Aluru Rammohan,2 Vijaya Bhaskar Baki,1 Savita Devi,3 Duvvuru Gunasekar,2 Wudayagiri Rajendra1 1Bioinformatics Center, Division of Molecular Biology, Department of Zoology, 2Natural Products Division, Department of Chemistry, Sri Venkateswara University, Tirupati, Andhra Pradesh, 3Pathogen Biology Laboratory, Department of Biotechnology and Bioinformatics, School of Life Sciences, University of Hyderabad, Hyderabad, India Abstract: Continuous usage of synthetic chemotherapeutic drugs causes adverse effects, which prompted for the development of alternative therapeutics for gastric cancer from natural source. This study was carried out with a specific aim to screen gastroprotective compounds from the fruits of Syzygium alternifolium (Myrtaceae. Three flavonoids, namely, 1 5-hydroxy-7,4'-dimethoxy-6,8-di-C-methylflavone, 2 kaempferol-3-O-β-D-glucopyranoside, and 3 kaempferol-3-O-α-L-rhamnopyranoside were isolated from the above medicinal plant by employing silica gel column chromatography and are characterized by NMR techniques. Antigastric cancer activity of these flavonoids was examined on AGS cell lines followed by cell cycle progression assay. In addition, pharmacophore-based screening and molecular dynamics of protein–ligand complex were carried out to identify potent scaffolds. The results showed that compounds 2 and 3 exhibited significant cytotoxic effect, whereas compound 1 showed moderate effect on AGS cells by inhibiting G2/M phase of cell cycle. Molecular docking analysis revealed that compound 2 has higher binding energies on human growth factor receptor-2 (HER2. The constructed pharmacophore models reveal that the compounds have more number of H-bond Acc/Don features which contribute to the inhibition of HER2 activity. By selecting these features, 34 hits were retrieved using the query compound 2. Molecular dynamic simulations (MDS of protein–ligand complexes demonstrated conspicuous

Analytical and molecular dynamical investigations of the influence of molecular vibrations upon the (e,2e) electron momentum distributions of furan

International Nuclear Information System (INIS)

Morini, F; Deleuze, M S; Watanabe, N; Takahashi, M

2015-01-01

The role of molecular vibrations has been theoretically investigated in the electronic ground state on the (e, 2e) valence orbital momentum profiles of furan by means of two complementary approaches. The first one relies upon the principles of Born-Oppenheimer Molecular Dynamics (BOMD), whereas the second one, referred as Harmonic Analytical Quantum Mechanical (HAQM) approach, includes on quantum-mechanical (paper)

Molecular beam studies with a time-of-flight machine

International Nuclear Information System (INIS)

Beijerinck, H.C.W.

1975-01-01

The study concerns the development of the time-of-flight method for the velocity analysis of molecular beams and its application to the measurement of the velocity dependence of the total cross-section of the noble gases. It reviews the elastic scattering theory, both in the framework of classical mechanics and in the quantum mechanical description. Attention is paid to the semiclassical correspondence of classical particle trajectories with the partial waves of the quantum mechanical solution. The total cross-section and the small angle differential cross-section are discussed with special emphasis on their relation. The results of this chapter are used later to derive the correction on the measured total cross-section due to the finite angular resolution of the apparatus. Reviewed also is the available information on the intermolecular potential of the Ar-Ar system. Then a discussion of the measurement of total cross-sections with the molecular beam method and the time-of-flight method is compared to other methods used. It is shown that the single burst time-of-flight method can be developed into a reliable and well-calibrated method for the analysis of the velocity distribution of molecular beams. A comparison of the single burst time-of-flight method with the cross-correlation time-of-flight method shows that the two methods are complementary and that the specific experimental circumstances determine which method is to be preferred. Molecular beam sources are discussed. The peaking factor formalism is introduced and helps to compare the performance of different types of sources. The effusive and the supersonic source are treated and recent experimental results are given. The multichannel source is treated in more detail. For the opaque mode, an experimental investigation of the velocity distribution and the angular distribution of the flow pattern is presented. Comparison of these results with Monte Carlo calculations for free molecular flow in a cylindrical

Influence of carbon and lipid sources on variation of mercury and other trace elements in polar bears (Ursus maritimus).

Science.gov (United States)

Routti, Heli; Letcher, Robert J; Born, Erik W; Branigan, Marsha; Dietz, Rune; Evans, Thomas J; McKinney, Melissa A; Peacock, Elizabeth; Sonne, Christian

2012-12-01

In the present study, the authors investigated the influence of carbon and lipid sources on regional differences in liver trace element (As, Cd, Cu, total Hg, Mn, Pb, Rb, Se, and Zn) concentrations measured in polar bears (Ursus maritimus) (n = 121) from 10 Alaskan, Canadian Arctic, and East Greenland subpopulations. Carbon and lipid sources were assessed using δ(13) C in muscle tissue and fatty acid (FA) profiles in subcutaneous adipose tissue as chemical tracers. A negative relationship between total Hg and δ(13) C suggested that polar bears feeding in areas with higher riverine inputs of terrestrial carbon accumulate more Hg than bears feeding in areas with lower freshwater input. Mercury concentrations were also positively related to the FA 20:1n-9, which is biosynthesized in large amounts in Calanus copepods. This result raises the hypothesis that Calanus glacialis are an important link in the uptake of Hg in the marine food web and ultimately in polar bears. Unadjusted total Hg, Se, and As concentrations showed greater geographical variation among polar bear subpopulations compared with concentrations adjusted for carbon and lipid sources. The Hg concentrations adjusted for carbon and lipid sources in Bering-Chukchi Sea polar bear liver tissue remained the lowest among subpopulations. Based on these findings, the authors suggest that carbon and lipid sources for polar bears should be taken into account when one is assessing spatial and temporal trends of long-range transported trace elements. Copyright © 2012 SETAC.

Quasi-molecular processes in dense plasmas

International Nuclear Information System (INIS)

Younger, S.M.

1991-01-01

Quasi-molecular phenomena occur in dense plasmas when the interatomic spacing is comparable to the characteristic wavelength of the electrons. If the electronic states are bound, covalent orbitals arise with different excitation energies, radiative rates, and collisional rates than for isolated ions. For continuum electrons, charge localization near transient clusters of nuclei can influence many scattering and transport processes. We identify several novel consequences of quasi-molecular phenomena in plasmas and give a possible explanation of high energy features associated with helium-like emissions lines observed in recent inertial fusion experiments. 7 refs

Comparison of molecular structure of alkali metal o-, m- and p-nitrobenzoates

Science.gov (United States)

Regulska, E.; Świsłocka, R.; Samsonowicz, M.; Lewandowski, W.

2008-09-01

The influence of nitro-substituent in ortho, meta and para positions as well as lithium, sodium, potassium, rubidium and cesium on the electronic system of aromatic ring and the distribution of electronic charge in carboxylic group of the nitrobenzoates were estimated. Optimized geometrical structures were calculated (B3LYP/6-311++G ∗∗). To make quantitative evaluation of aromaticity of studied molecules the geometric (A J, BAC, I 6 and HOMA) as well as magnetic (NICS) aromaticity indices were calculated. Electronic charge distribution was also examined by molecular spectroscopic study, which may be the source of quality criterion for aromaticity. Experimental and theoretical FT-IR, FT-Raman and NMR ( 1H and 13C) spectra of the title compounds were analyzed. The calculated parameters were compared to experimental characteristics of these molecules.

Welding simulation of large-diameter thick-walled stainless steel pipe joints. Fast computation of residual stress and influence of heat source model

International Nuclear Information System (INIS)

Maekawa, Akira; Serizawa, Hisashi; Nakacho, Keiji; Murakawa, Hidekazu

2011-01-01

There are many weld zones in the apparatus and piping installed in nuclear power plants and residual stress generated in the zone by weld process is the most important influence factor for maintaining structural integrity. Though the weld residual stress is frequently evaluated using numerical simulation, fast simulation techniques have been demanded because of the enormous calculation times used. Recently, the fast weld residual stress evaluation based on three-dimensional accurate analysis became available through development of the Iterative Substructure Method (ISM). In this study, the computational performance of the welding simulation code using the ISM was improved to get faster computations and more accurate welding simulation. By adding functions such as parallel processing, the computation speed was much faster than that of the conventional finite element method code. Furthermore, the accuracy of the improved code was validated by measurements. The influence of two different weld heat source models on the simulation results was also investigated and it was found that the moving heat source was effective to achieve accurate weld simulation for multi-pass welds. (author)

Molecular depth profiling of multi-layer systems with cluster ion sources

Energy Technology Data Exchange (ETDEWEB)

Cheng, Juan [Department of Chemistry, Penn State University, University Park, PA 16802 (United States); Winograd, Nicholas [Department of Chemistry, Penn State University, University Park, PA 16802 (United States)]. E-mail: nxw@psu.edu

2006-07-30

Cluster bombardment of molecular films has created new opportunities for SIMS research. To more quantitatively examine the interaction of cluster beams with organic materials, we have developed a reproducible platform consisting of a well-defined sugar film (trehalose) doped with peptides. Molecular depth profiles have been acquired with these systems using C{sub 60} {sup +} bombardment. In this study, we utilize this platform to determine the feasibility of examining buried interfaces for multi-layer systems. Using C{sub 60} {sup +} at 20 keV, several systems have been tested including Al/trehalose/Si, Al/trehalose/Al/Si, Ag/trehalose/Si and ice/trehalose/Si. The results show that there can be interactions between the layers during the bombardment process that prevent a simple interpretation of the depth profile. We find so far that the best results are obtained when the mass of the overlayer atoms is less than or nearly equal to the mass of the atoms in buried molecules. In general, these observations suggest that C{sub 60} {sup +} bombardment can be successfully applied to interface characterization of multi-layer systems if the systems are carefully chosen.

The Publicly Available Prebiotic Interstellar Molecular Survey (primos): Expanding Spectroscopic Characterizations, Extending to New Sources, and Adding to the Known Molecular Inventory

Science.gov (United States)

McGuire, Brett A.; Carroll, P. Brandon; Corby, Joanna F.; Loomis, Ryan A.; Blake, Geoffrey A.; Hollis, Jan M.; Lovas, Frank J.; Jewell, Philip R.; Remijan, Anthony J.

2013-06-01

The publicly available Green Bank Telescope PRebiotic Interstellar MOlecular Survey (PRIMOS) conducted towards Sgr B2(N) provides high resolution, high-sensitivity observations with near-continuous frequency coverage from ˜300 MHz - 50 GHz. Of the eleven new molecular detections in the last year, five (45%) are a direct result of the PRIMOS observations. Further, these observations have recently been used to detect the predicted, but previously unobserved, J = 1-0 and J=2-1 transitions of the newly detected l-C_3H^+ ion. Here, we discuss the analysis of these transitions, as well as recent work to extend the PRIMOS observations to three new regions of interest: VY Canis Majoris, IRC+10216, and NGC 2023. Finally, we highlight the utility of cm-wave surveys in new molecular detections, as well as the value of publicly-available surveys in the approaching era of data-enabled, analysis-limited astrochemistry.

New insights into the molecular mechanism of intestinal fatty acid absorption.

Science.gov (United States)

Wang, Tony Y; Liu, Min; Portincasa, Piero; Wang, David Q-H

2013-11-01

Dietary fat is one of the most important energy sources of all the nutrients. Fatty acids, stored as triacylglycerols (also called triglycerides) in the body, are an important reservoir of stored energy and derived primarily from animal fats and vegetable oils. Although the molecular mechanisms for the transport of water-insoluble amphipathic fatty acids across cell membranes have been debated for many years, it is now believed that the dominant means for intestinal fatty acid uptake is via membrane-associated fatty acid-binding proteins, that is, fatty acid transporters on the apical membrane of enterocytes. These findings indicate that intestinal fatty acid absorption is a multistep process that is regulated by multiple genes at the enterocyte level, and intestinal fatty acid absorption efficiency could be determined by factors influencing intraluminal fatty acid molecules across the brush border membrane of enterocytes. To facilitate research on intestinal, hepatic and plasma triacylglycerol metabolism, it is imperative to establish standard protocols for precisely and accurately measuring the efficiency of intestinal fatty acid absorption in humans and animal models. In this review, we will discuss the chemical structure and nomenclature of fatty acids and summarize recent progress in investigating the molecular mechanisms underlying the intestinal absorption of fatty acids, with a particular emphasis on the physical chemistry of intestinal lipids and the molecular physiology of intestinal fatty acid transporters. A better understanding of the molecular mechanism of intestinal fatty acid absorption should lead to novel approaches to the treatment and the prevention of fatty acid-related metabolic diseases that are prevalent worldwide. © 2013 Stichting European Society for Clinical Investigation Journal Foundation. Published by John Wiley & Sons Ltd.

Behaviors of beryllium compensation doping in InGaAsP grown by gas source molecular beam epitaxy

Science.gov (United States)

Ma, Y. J.; Zhang, Y. G.; Gu, Y.; Xi, S. P.; Chen, X. Y.; Liang, Baolai; Juang, Bor-Chau; Huffaker, Diana L.; Du, B.; Shao, X. M.; Fang, J. X.

2017-07-01

We report structural properties as well as electrical and optical behaviors of beryllium (Be)-doped InGaAsP lattice-matched to InP grown by gas source molecular beam epitaxy. P type layers present a high degree of compensation on the order of 1018 cm-3, and for Be densities below 9.5×1017 cm-3, they are found to be n type. Enhanced incorporation of oxygen during Be doping is observed by secondary ion mass spectroscopy. Be in forms of interstitial donors or donor-like Be-O complexes for cell temperatures below 800°C is proposed to account for such anomalous compensation behaviors. A constant photoluminescence energy of 0.98 eV without any Moss-Burstein shift for Be doping levels up to 1018 cm-3 along with increased emission intensity due to passivation effect of Be is also observed. An increasing number of minority carriers tend to relax via Be defect state-related Shockley-Read-Hall recombination with the increase of Be doping density.

Behaviors of beryllium compensation doping in InGaAsP grown by gas source molecular beam epitaxy

Directory of Open Access Journals (Sweden)

Y. J. Ma

2017-07-01

Full Text Available We report structural properties as well as electrical and optical behaviors of beryllium (Be-doped InGaAsP lattice-matched to InP grown by gas source molecular beam epitaxy. P type layers present a high degree of compensation on the order of 1018 cm−3, and for Be densities below 9.5×1017 cm−3, they are found to be n type. Enhanced incorporation of oxygen during Be doping is observed by secondary ion mass spectroscopy. Be in forms of interstitial donors or donor-like Be-O complexes for cell temperatures below 800°C is proposed to account for such anomalous compensation behaviors. A constant photoluminescence energy of 0.98 eV without any Moss-Burstein shift for Be doping levels up to 1018 cm−3 along with increased emission intensity due to passivation effect of Be is also observed. An increasing number of minority carriers tend to relax via Be defect state-related Shockley-Read-Hall recombination with the increase of Be doping density.

Advanced spallation neutron sources for condensed matter research

International Nuclear Information System (INIS)

Lovesey, S.W.; Stirling, G.C.

1984-03-01

Advanced spallation neutron sources afford significant advantages over existing high flux reactors. The effective flux is much greater than that currently available with reactor sources. A ten-fold increase in neutron flux will be a major benefit to a wide range of condensed matter studies, and it will realise important experiments that are marginal at reactor sources. Moreover, the high intensity of epithermal neutrons open new vistas in studies of electronic states and molecular vibrations. (author)

Influence of the electron cyclotron resonance plasma confinement on reducing the bremsstrahlung production of an electron cyclotron resonance ion source with metal-dielectric structures

International Nuclear Information System (INIS)

Schachter, L.; Dobrescu, S.; Stiebing, K. E.

2009-01-01

The influence of metal-dielectric (MD) layers (MD structures) inserted into the plasma chamber of an electron cyclotron resonance ion source (ECRIS) onto the production of electron bremsstrahlung radiation has been studied in a series of dedicated experiments at the 14 GHz ECRIS of the Institut fuer Kernphysik der Universitaet Frankfurt. The IKF-ECRIS was equipped with a MD liner, covering the inner walls of the plasma chamber, and a MD electrode, covering the plasma-facing side of the extraction electrode. On the basis of similar extracted currents of highly charged ions, significantly reduced yields of bremsstrahlung radiation for the 'MD source' as compared to the standard (stainless steel) source have been measured and can be explained by the significantly better plasma confinement in a MD source as compared to an ''all stainless steel'' ECRIS.

Auralization of airborne sound insulation including the influence of source room

DEFF Research Database (Denmark)

Rindel, Jens Holger

2006-01-01

The paper describes a simple and acoustically accurate method for the auralization of airborne sound insulation between two rooms by means of a room acoustic simulation software (ODEON). The method makes use of a frequency independent transparency of the transmitting surface combined...... with a frequency dependent power setting of the source in the source room. The acoustic properties in terms of volume and reverberation time as well as the area of the transmitting surface are all included in the simulation. The user only has to select the position of the source in the source room and the receiver...... of the transmitting surface is used for the simulation of sound transmission. Also the reduced clarity of the auralization due to the reverberance of the source room is inherent in the method. Currently the method is restricted to transmission loss data in octave bands....

A combined thermal dissociation and electron impact ionization source for radioactive ion beam generation (abstract)a

International Nuclear Information System (INIS)

Alton, G.D.; Williams, C.

1996-01-01

The probability for simultaneously dissociating and efficiently ionizing the individual atomic constituents of molecular feed materials with conventional, hot-cathode, electron-impact ion sources is low and consequently, the ion beams from these sources often appear as mixtures of several molecular sideband beams. This fragmentation process leads to dilution of the intensity of the species of interest for radioactive ion beam (RIB) applications where beam intensity is at a premium. We have conceived an ion source that combines the excellent molecular dissociation properties of a thermal dissociator and the high ionization efficiency characteristics of an electron impact ionization source that will, in principle, overcome this handicap. The source concept will be evaluated as a potential candidate for use for RIB generation at the Holifield Radioactive Ion Beam Facility, now under construction at the Oak Ridge National Laboratory. The design features and principles of operation of the source are described in this article. copyright 1996 American Institute of Physics

In-source collision induced dissociation of inorganic explosives for mass spectrometric signature detection and chemical imaging

Energy Technology Data Exchange (ETDEWEB)

Forbes, Thomas P., E-mail: thomas.forbes@nist.gov; Sisco, Edward

2015-09-10

The trace detection, bulk quantification, and chemical imaging of inorganic explosives and components was demonstrated utilizing in-source collision induced dissociation (CID) coupled with laser desorption/ionization mass spectrometry (LDI-MS). The incorporation of in-source CID provided direct control over the extent of adduct and cluster fragmentation as well as organic noise reduction for the enhanced detection of both the elemental and molecular ion signatures of fuel-oxidizer mixtures and other inorganic components of explosive devices. Investigation of oxidizer molecular anions, specifically, nitrates, chlorates, and perchlorates, identified that the optimal in-source CID existed at the transition between fragmentation of the ionic salt bonds and molecular anion bonds. The chemical imaging of oxidizer particles from latent fingerprints was demonstrated, including both cation and anion components in positive and negative mode mass spectrometry, respectively. This investigation demonstrated LDI-MS with in-source CID as a versatile tool for security fields, as well as environmental monitoring and nuclear safeguards, facilitating the detection of elemental and molecular inorganic compounds at nanogram levels. - Highlights: • In-source CID enhanced detection of elemental inorganics up to 1000-fold. • In-source CID optimization of polyatomic oxidizers enhanced detection up to 100-fold. • Optimal CID identified at transition from breaking ionic salt to molecular anion bonds. • Trace detection of inorganic explosives at nanogram levels was demonstrated. • Oxidizer particles were chemically imaged directly from latent fingerprints.

Food source quality and ant dominance hierarchy influence the outcomes of ant-plant interactions in an arid environment

Science.gov (United States)

Flores-Flores, Rocío Vianey; Aguirre, Armando; Anjos, Diego V.; Neves, Frederico S.; Campos, Ricardo I.; Dáttilo, Wesley

2018-02-01

In this study, we conducted a series of experiments in a population of Vachellia constricta (Fabaceae) in the arid Tehuacan-Cuicatláan valley, Mexico, in order to evaluate if the food source quality and ant dominance hierarchy influence the outcomes of ant-plant interactions. Using an experiment with artificial nectaries, we observed that ants foraging on food sources with higher concentration of sugar are quicker in finding and attacking potential herbivorous insects. More specifically, we found that the same ant species may increase their defence effectiveness according to the quality of food available. These findings indicate that ant effectiveness in plant protection is context-dependent and may vary according to specific individual characteristics of plants. In addition, we showed that competitively superior ant species tend to dominate plants in periods with high nectar activity, emphasizing the role of the dominance hierarchy structuring ant-plant interactions. However, when high sugar food sources were experimentally available ad libitum, the nocturnal and competitively superior ant species, Camponotus atriceps, did not dominate the artificial nectaries during the day possibly due to limitation of its thermal tolerance. Therefore, temporal niche partitioning may be allowing the coexistence of two dominant ant species (Camponotus rubritorax during the day and C. atriceps at night) on V. constricta. Our findings indicate that the quality of the food source, and temporal shifts in ant dominance are key factors which structure the biotic plant defences in an arid environment.

A new concept Tandem thermal dissociator/electron impact ion source for RIB generation

International Nuclear Information System (INIS)

Alton, G.D.; Williams, C.

1995-01-01

An innovative thermal dissociation/electron impact ionization positive ion source is presently under design at the Oak Ridge National Laboratory for potential use for generating RIBs at the Holifield Radioactive Ion Beam Facility (HRIBF). Because of the low probability of simultaneously dissociating and efficiently ionizing the individual atomic constituents with conventional, hot-cathode, electron-impact ion sources, the ion beams extracted from these sources often appear as a mixture of several molecular sideband beams. In this way, the intensity of the species of interest is diluted. We have conceived an Ion source that combines the excellent molecular dissociation properties of a thermal dissociator and the high efficiency characteristics of an electron impact ionization source. If the concept proves to be a viable option, the source will be used as a complement to the electron beam plasma ion sources already in use at the HRIBF. The design features and principles of operation of the source are described in this article

Using a source-receptor approach to characterise VOC behaviour in a French urban area influenced by industrial emissions. Part II: source contribution assessment using the Chemical Mass Balance (CMB) model.

Science.gov (United States)

Badol, Caroline; Locoge, Nadine; Galloo, Jean-Claude

2008-01-25

In Part I of this study (Badol C, Locoge N, Leonardis T, Gallo JC. Using a source-receptor approach to characterise VOC behaviour in a French urban area influenced by industrial emissions, Part I: Study area description, data set acquisition and qualitative data analysis of the data set. Sci Total Environ 2007; submitted as companion manuscript.) the study area, acquisition of the one-year data set and qualitative analysis of the data set have been described. In Part II a source profile has been established for each activity present in the study area: 6 profiles (urban heating, solvent use, natural gas leakage, biogenic emissions, gasoline evaporation and vehicle exhaust) have been extracted from literature to characterise urban sources, 7 industrial profiles have been established via canister sampling around industrial plants (hydrocarbon cracking, oil refinery, hydrocarbon storage, lubricant storage, lubricant refinery, surface treatment and metallurgy). The CMB model is briefly described and its implementation is discussed through the selection of source profiles and fitting species. Main results of CMB modellings for the Dunkerque area are presented. (1) The daily evolution of source contributions for the urban wind sector shows that the vehicle exhaust source contribution varies between 40 and 55% and its relative increase at traffic rush hours is hardly perceptible. (2) The relative contribution of vehicle exhaust varies from 55% in winter down to 30% in summer. This decrease is due to the increase of the relative contribution of hydrocarbon storage source reaching up to 20% in summer. (3) The evolution of source contributions with wind directions has confirmed that in urban wind sectors the contribution of vehicle exhaust dominate with around 45-55%. For the other wind sectors that include some industrial plants, the contribution of industrial sources is around 60% and could reach 80% for the sector 280-310 degrees , which corresponds to the most dense

A circumstellar molecular gas structure associated with the massive young star Cepheus A-HW 2

Science.gov (United States)

Torrelles, Jose M.; Rodriguez, Luis F.; Canto, Jorge; Ho, Paul T. P.

1993-01-01

We report the detection via VLA-D observations of ammonia of a circumstellar high-density molecular gas structure toward the massive young star related to the object Cepheus A-HW 2, a firm candidate for the powering source of the high-velocity molecular outflow in the region. We suggest that the circumstellar molecular gas structure could be related to the circumstellar disk previously suggested from infrared, H2O, and OH maser observations. We consider as a plausible scenario that the double radio continuum source of HW 2 could represent the ionized inner part of the circumstellar disk, in the same way as proposed to explain the double radio source in L1551. The observed motions in the circumstellar molecular gas can be produced by bound motions (e.g., infall or rotation) around a central mass of about 10-20 solar masses (B0.5 V star or earlier).

Influence of relative trophic position and carbon source on selenium bioaccumulation in turtles from a coal fly-ash spill site

International Nuclear Information System (INIS)

Van Dyke, James U.; Hopkins, William A.; Jackson, Brian P.

2013-01-01

Selenium (Se) is a bioaccumulative constituent of coal fly-ash that can disrupt reproduction of oviparous wildlife. In food webs, the greatest enrichment of Se occurs at the lowest trophic levels, making it readily bioavailable to higher consumers. However, subsequent enrichment at higher trophic levels is less pronounced, leading to mixed tendencies for Se to biomagnify. We used stable isotopes ( 15 N and 13 C) in claws to infer relative trophic positions and relative carbon sources, respectively, of seven turtle species near the site of a recently-remediated coal fly-ash spill. We then tested whether Se concentrations differed with relative trophic position or relative carbon source. We did not observe a strong relationship between δ 15 N and Se concentration. Instead, selenium concentrations decreased with increasing δ 13 C among species. Therefore, in an assemblage of closely-related aquatic vertebrates, relative carbon source was a better predictor of Se bioaccumulation than was relative trophic position. -- Highlights: •Stable isotope results showed trophic separation among turtle species. •Selenium concentrations did not biomagnify with relative trophic position. •Selenium concentrations decreased with increasing δ 13 C among species. •Carbon source influenced Se bioaccumulation in an assemblage of related vertebrates. -- Stable isotope differences indicate that claw selenium concentrations differ among relative carbon sources, and not among relative trophic positions, in an assemblage of aquatic turtles

pH-Amplified multilayer films based on hyaluronan: influence of HA molecular weight and concentration on film growth and stability.

Science.gov (United States)

Shen, Liyan; Chaudouet, Patrick; Ji, Jian; Picart, Catherine

2011-04-11

In this study, we investigate the growth and internal properties of polyelectrolyte multilayer films made of poly(l-lysine) and hyaluronan (PLL/HA) under pH-amplified conditions, that is, by alternate deposition of PLL at high pH and HA at low pH. We focus especially on the influence of the molecular weight of HA in this process as well as on its concentration in solution. Film growth was followed by quartz crystal microbalance and by infrared spectroscopy to quantify the deposited mass and to characterize the internal properties of the films, including the presence of hydrogen bonds and the ionization degree of HA in the films. Film growth was significantly faster for HA of high molecular weight (1300 kDa) as compared with 400 and 200 kDa. PLL was found to exhibit a random structure once deposited in the films. Furthermore, we found that PLL-ending films are more stable when they are placed in PBS than their HA counterparts. This was explained on the basis of more cohesive interactions in the films for PLL-ending films. Finally, we quantified PLL(FITC) diffusion into the films and observed that PLL diffusion is enhanced when PLL is paired with the HA of high MW. All together, these results suggest that besides purely physicochemical parameters such as variation in pH, the molecular weight of HA, its concentration in solution, and the possibility to form intermolecular HA association play important roles in film growth, internal cohesion, and stability.

GROMACS 4.5: a high-throughput and highly parallel open source molecular simulation toolkit.

Science.gov (United States)

Pronk, Sander; Páll, Szilárd; Schulz, Roland; Larsson, Per; Bjelkmar, Pär; Apostolov, Rossen; Shirts, Michael R; Smith, Jeremy C; Kasson, Peter M; van der Spoel, David; Hess, Berk; Lindahl, Erik

2013-04-01

Molecular simulation has historically been a low-throughput technique, but faster computers and increasing amounts of genomic and structural data are changing this by enabling large-scale automated simulation of, for instance, many conformers or mutants of biomolecules with or without a range of ligands. At the same time, advances in performance and scaling now make it possible to model complex biomolecular interaction and function in a manner directly testable by experiment. These applications share a need for fast and efficient software that can be deployed on massive scale in clusters, web servers, distributed computing or cloud resources. Here, we present a range of new simulation algorithms and features developed during the past 4 years, leading up to the GROMACS 4.5 software package. The software now automatically handles wide classes of biomolecules, such as proteins, nucleic acids and lipids, and comes with all commonly used force fields for these molecules built-in. GROMACS supports several implicit solvent models, as well as new free-energy algorithms, and the software now uses multithreading for efficient parallelization even on low-end systems, including windows-based workstations. Together with hand-tuned assembly kernels and state-of-the-art parallelization, this provides extremely high performance and cost efficiency for high-throughput as well as massively parallel simulations. GROMACS is an open source and free software available from http://www.gromacs.org. Supplementary data are available at Bioinformatics online.

Self-assembled GaInNAs/GaAsN quantum dot lasers: solid source molecular beam epitaxy growth and high-temperature operation

Directory of Open Access Journals (Sweden)

Yoon SF

2006-01-01

Full Text Available AbstractSelf-assembled GaInNAs quantum dots (QDs were grown on GaAs (001 substrate using solid-source molecular-beam epitaxy (SSMBE equipped with a radio-frequency nitrogen plasma source. The GaInNAs QD growth characteristics were extensively investigated using atomic-force microscopy (AFM, photoluminescence (PL, and transmission electron microscopy (TEM measurements. Self-assembled GaInNAs/GaAsN single layer QD lasers grown using SSMBE have been fabricated and characterized. The laser worked under continuous wave (CW operation at room temperature (RT with emission wavelength of 1175.86 nm. Temperature-dependent measurements have been carried out on the GaInNAs QD lasers. The lowest obtained threshold current density in this work is ∼1.05 kA/cm2from a GaInNAs QD laser (50 × 1,700 µm2 at 10 °C. High-temperature operation up to 65 °C was demonstrated from an unbonded GaInNAs QD laser (50 × 1,060 µm2, with high characteristic temperature of 79.4 K in the temperature range of 10–60 °C.

Molecular characterization of composite interfaces

International Nuclear Information System (INIS)

Ishida, H.

1982-01-01

The Fourier Transform Infrared Spectroscopy was applied to elucidate the molecular structures of the glass/matrix interface. The various interfaces and interphases were studied. It is found that the structure of the silane in a treating solution is important in determining the structure of the silane on glass fibers, influences the macroscopic properties of composites. The amount of silane on glass fibers, the state of hydrogen bonding, orientation, copolymerization of the organicfunctionality with the matrix, curing of the silane, and effect of water on the interface were investigated. It is shown that the molecular approach is useful to interpret and predict physicomechanical properties of composites

microsatellite analysis of the correlation between molecular and ...

African Journals Online (AJOL)

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3Northeast Normal University, Laboratory of Plant Molecular Epigenetics, Changchun China, Zip 130024 ... grounds. Furthermore, recent evidences that the environment can influence the ..... Forty Coffee Varieties Assessed by RAPD. Markers ...

Nanostructure and molecular mechanics of spider dragline silk protein assemblies

Science.gov (United States)

Keten, Sinan; Buehler, Markus J.

2010-01-01

Spider silk is a self-assembling biopolymer that outperforms most known materials in terms of its mechanical performance, despite its underlying weak chemical bonding based on H-bonds. While experimental studies have shown that the molecular structure of silk proteins has a direct influence on the stiffness, toughness and failure strength of silk, no molecular-level analysis of the nanostructure and associated mechanical properties of silk assemblies have been reported. Here, we report atomic-level structures of MaSp1 and MaSp2 proteins from the Nephila clavipes spider dragline silk sequence, obtained using replica exchange molecular dynamics, and subject these structures to mechanical loading for a detailed nanomechanical analysis. The structural analysis reveals that poly-alanine regions in silk predominantly form distinct and orderly beta-sheet crystal domains, while disorderly regions are formed by glycine-rich repeats that consist of 31-helix type structures and beta-turns. Our structural predictions are validated against experimental data based on dihedral angle pair calculations presented in Ramachandran plots, alpha-carbon atomic distances, as well as secondary structure content. Mechanical shearing simulations on selected structures illustrate that the nanoscale behaviour of silk protein assemblies is controlled by the distinctly different secondary structure content and hydrogen bonding in the crystalline and semi-amorphous regions. Both structural and mechanical characterization results show excellent agreement with available experimental evidence. Our findings set the stage for extensive atomistic investigations of silk, which may contribute towards an improved understanding of the source of the strength and toughness of this biological superfibre. PMID:20519206

Versatile piezoelectric pulsed molecular beam source for gaseous compounds and organic molecules with femtomole accuracy for UHV and surface science applications

International Nuclear Information System (INIS)

Schiesser, Alexander; Schaefer, Rolf

2009-01-01

This note describes the construction of a piezoelectric pulsed molecular beam source based upon a design presented in an earlier work [D. Proch and T. Trickl, Rev. Sci. Instrum. 60, 713 (1988)]. The design features significant modifications that permit the determination of the number of molecules in a beam pulse with an accuracy of 1x10 11 molecules per pulse. The 21 cm long plunger-nozzle setup allows the molecules to be brought to any point of the UHV chamber with very high intensity. Furthermore, besides typical gaseous compounds, also smaller organic molecules with a vapor pressure higher than 0.1 mbar at room temperature may serve as feed material. This makes the new design suitable for various applications in chemical and surface science studies.

Influence of different carbon sources on exopolysaccharide production by Lactobacillus delbrueckii subsp. bulgaricus (B3, G12 and Streptococcus thermophilus (W22

Directory of Open Access Journals (Sweden)

Zehra Nur Yuksekdag

2008-06-01

Full Text Available Exopolysaccharides (EPSs production was studied by Lactobacillus delbrueckii subsp. bulgaricus (B3, G12 and Streptococcus thermophilus (W22 in the medium containing various carbon sources (glucose, fructose, sucrose or lactose. For all the strains, glucose was the most efficient carbon source and B3, G12 and W22 strains produced 211, 175 and 120 EPS mg/L respectively. Also, the influence of different concentrations of glucose (5,10,15,20,25,30 g/L on EPS production and growth was studied. The results indicated that EPS production and growth were stimulated by the high glucose concentration (30 g/L.

CaI and SrI molecules for iodine determination by high-resolution continuum source graphite furnace molecular absorption spectrometry: Greener molecules for practical application.

Science.gov (United States)

Zanatta, Melina Borges Teixeira; Nakadi, Flávio Venâncio; da Veiga, Márcia Andreia Mesquita Silva

2018-03-01

A new method to determine iodine in drug samples by high-resolution continuum source graphite furnace molecular absorption spectrometry (HR-CS GF MAS) has been developed. The method measures the molecular absorption of a diatomic molecule, CaI or SrI (less toxic molecule-forming reagents), at 638.904 or 677.692nm, respectively, and uses a mixture containing 5μg of Pd and 0.5μg of Mg as chemical modifier. The method employs pyrolysis temperatures of 1000 and 800°C and vaporization temperatures of 2300 and 2400°C for CaI and SrI, respectively. The optimized amounts of Ca and Sr as molecule-forming reagents are 100 and 150µg, respectively. On the basis of interference studies, even small chlorine concentrations reduce CaI and SrI absorbance significantly. The developed method was used to analyze different commercial drug samples, namely thyroid hormone pills with three different iodine amounts (15.88, 31.77, and 47.66µg) and one liquid drug with 1% m v -1 active iodine in their compositions. The results agreed with the values informed by the manufacturers (95% confidence level) regardless of whether CaI or SrI was determined. Therefore, the developed method is useful for iodine determination on the basis of CaI or SrI molecular absorption. Copyright © 2017 Elsevier B.V. All rights reserved.

Uncertainty estimates for theoretical atomic and molecular data

International Nuclear Information System (INIS)

Chung, H-K; Braams, B J; Bartschat, K; Császár, A G; Drake, G W F; Kirchner, T; Kokoouline, V; Tennyson, J

2016-01-01

Sources of uncertainty are reviewed for calculated atomic and molecular data that are important for plasma modeling: atomic and molecular structures and cross sections for electron-atom, electron-molecule, and heavy particle collisions. We concentrate on model uncertainties due to approximations to the fundamental many-body quantum mechanical equations and we aim to provide guidelines to estimate uncertainties as a routine part of computations of data for structure and scattering. (topical review)

Effects of molecular weight of natural organic matter on cadmium mobility in soil environments and its carbon isotope characteristics

International Nuclear Information System (INIS)

Mahara, Y.; Kubota, T.; Wakayama, R.; Nakano-Ohta, T.; Nakamura, T.

2007-01-01

We investigated the role of natural organic matter in cadmium mobility in soil environments. We collected the dissolved organic matter from two different types of natural waters: pond surface water, which is oxic, and deep anoxic groundwater. The collected organic matter was fractionated into four groups with molecular weights (unit: Da (Daltons)) of 3 , 1-10 x 10 3 , 10-100 x 10 3 , and > 100 x 10 3 . The organic matter source was land plants, based on the carbon isotope ratios (δ 13 C/ 12 C). The organic matter in surface water originated from presently growing land plants, based on 14 C dating, but the organic matter in deep groundwater originated from land plants that grew approximately 4000 years ago. However, some carbon was supplied by the high-molecular-weight fraction of humic substances in soil or sediments. Cadmium interacted in a system of siliceous sand, fractionated organic matter, and water. The lowest molecular weight fraction of organic matter ( 3 ) bound more cadmium than did the higher molecular weight fractions. Organic matter in deep groundwater was more strongly bound to cadmium than was organic matter in surface water. The binding behaviours of organic matter with cadmium depended on concentration, age, molecular weight, and degradation conditions of the organic matter in natural waters. Consequently, the dissolved, low-molecular-weight fraction in organic matter strongly influences cadmium migration and mobility in the environment

High-temperature operation of self-assembled GaInNAs/GaAsN quantum-dot lasers grown by solid-source molecular-beam epitaxy

International Nuclear Information System (INIS)

Liu, C.Y.; Yoon, S.F.; Sun, Z.Z.; Yew, K.C.

2006-01-01

Self-assembled GaInNAs/GaAsN single layer quantum-dot (QD) lasers grown using solid-source molecular-beam epitaxy have been fabricated and characterized. Temperature-dependent measurements have been carried out on the GaInNAs QD lasers. The lowest obtained threshold current density in this work is ∼1.05 kA/cm 2 from a GaInNAs QD laser (50x1700 μm 2 ) at 10 deg. C. High-temperature operation up to 65 deg. C was also demonstrated from an unbonded GaInNAs QD laser (50x1060 μm 2 ), with high characteristic temperature of 79.4 K in the temperature range of 10-60 deg. C

The influence of extruded starch molecular mass on the properties of extruded thermoplastic starch

NARCIS (Netherlands)

Soest, van J.J.G.; Benes, K.; Wit, de D.; Vliegenthart, J.F.G.

1996-01-01

The mechanical properties of a low and a high molecular mass thermoplastic starch (TPS) were monitored at water contents in the range of 5-30% (w/w). The granular starches were plasticized by extrusion processing with glycerol and water. The low molecular mass starch was prepared by partial acid

Carbon source feeding strategies for recombinant protein ...

African Journals Online (AJOL)

USER

2010-04-12

Apr 12, 2010 ... protein expression with the influence of the carbon source feeding ... in the culture media, increasing the peroxisomes numbers ...... source, temperature, pH, O2, methanol feeding strategy) ..... Catabolite Inactivation in Yeast.

Influence of the electron cyclotron resonance plasma confinement on reducing the bremsstrahlung production of an electron cyclotron resonance ion source with metal-dielectric structures.

Science.gov (United States)

Schachter, L; Stiebing, K E; Dobrescu, S

2009-01-01

The influence of metal-dielectric (MD) layers (MD structures) inserted into the plasma chamber of an electron cyclotron resonance ion source (ECRIS) onto the production of electron bremsstrahlung radiation has been studied in a series of dedicated experiments at the 14 GHz ECRIS of the Institut für Kernphysik der Universität Frankfurt. The IKF-ECRIS was equipped with a MD liner, covering the inner walls of the plasma chamber, and a MD electrode, covering the plasma-facing side of the extraction electrode. On the basis of similar extracted currents of highly charged ions, significantly reduced yields of bremsstrahlung radiation for the "MD source" as compared to the standard (stainless steel) source have been measured and can be explained by the significantly better plasma confinement in a MD source as compared to an "all stainless steel" ECRIS.

Pulsed, atmospheric pressure plasma source for emission spectrometry

Science.gov (United States)

Duan, Yixiang; Jin, Zhe; Su, Yongxuan

2004-05-11

A low-power, plasma source-based, portable molecular light emission generator/detector employing an atmospheric pressure pulsed-plasma for molecular fragmentation and excitation is described. The average power required for the operation of the plasma is between 0.02 W and 5 W. The features of the optical emission spectra obtained with the pulsed plasma source are significantly different from those obtained with direct current (dc) discharge higher power; for example, strong CH emission at 431.2 nm which is only weakly observed with dc plasma sources was observed, and the intense CN emission observed at 383-388 nm using dc plasma sources was weak in most cases. Strong CN emission was only observed using the present apparatus when compounds containing nitrogen, such as aniline were employed as samples. The present apparatus detects dimethylsulfoxide at 200 ppb using helium as the plasma gas by observing the emission band of the CH radical. When coupled with a gas chromatograph for separating components present in a sample to be analyzed, the present invention provides an apparatus for detecting the arrival of a particular component in the sample at the end of the chromatographic column and the identity thereof.

Structural and physico-mechanical properties of natural rubber/GTR composites devulcanized by microwaves: influence of GTR source and irradiation time

OpenAIRE

Colom Fajula, Xavier; Marin-Genesca, Marc; Mujal Rosas, Ramón María; Formela, Krzysztof; Cañavate Ávila, Francisco Javier

2018-01-01

Ground tire rubber from car and truck was modified using microwave irradiation at variable time. The irradiated ground tire rubber was used as filler in composites based on natural rubber. The composites, with high content of ground tire rubber, were prepared using an internal batch mixer and subsequently cross-linked at 160¿. The influence of the ground tire rubber source (car/truck) and irradiation time on structure, physico-mechanical behaviour, thermal properties and morphology of natural...

Stratum corneum molecular mobility in the presence of natural moisturizers.

Science.gov (United States)

Björklund, Sebastian; Andersson, Jenny Marie; Pham, Quoc Dat; Nowacka, Agnieszka; Topgaard, Daniel; Sparr, Emma

2014-07-07

The outermost layer of the skin, the stratum corneum (SC), is a lipid-protein membrane that experiences considerable osmotic stress from a dry and cold climate. The natural moisturizing factor (NMF) comprises small and polar substances, which like osmolytes can protect living systems from osmotic stress. NMF is commonly claimed to increase the water content in the SC and thereby protect the skin from dryness. In this work we challenge this proposed mechanism, and explore the influence of NMF on the lipid and protein components in the SC. We employ natural-abundance (13)C solid-state NMR methods to investigate how the SC molecular components are influenced by urea, glycerol, pyrrolidone carboxylic acid (PCA), and urocanic acid (UCA), all of which are naturally present in the SC as NMF compounds. Experiments are performed with intact SC, isolated corneocytes and model lipids. The combination of NMR experiments provides molecularly resolved qualitative information on the dynamics of different SC lipid and protein components. We obtain completely novel molecular information on the interaction of these NMF compounds with the SC lipids and proteins. We show that urea and glycerol, which are also common ingredients in skin care products, increase the molecular mobility of both SC lipids and proteins at moderate relative humidity where the SC components are considerably more rigid in the absence of these compounds. This effect cannot be attributed to increased SC water content. PCA has no detectable effect on SC molecular mobility under the conditions investigated. It is finally shown that the more apolar compound, UCA, specifically influences the mobility of the SC lipid regions. The present results show that the NMF components act to retain the fluidity of the SC molecular components under dehydrating conditions in such a way that the SC properties remain largely unchanged as compared to more hydrated SC. These findings provide a new molecular insight into how small

Fine particulates over South Asia: Review and meta-analysis of PM2.5 source apportionment through receptor model.

Science.gov (United States)

Singh, Nandita; Murari, Vishnu; Kumar, Manish; Barman, S C; Banerjee, Tirthankar

2017-04-01

Fine particulates (PM 2.5 ) constitute dominant proportion of airborne particulates and have been often associated with human health disorders, changes in regional climate, hydrological cycle and more recently to food security. Intrinsic properties of particulates are direct function of sources. This initiates the necessity of conducting a comprehensive review on PM 2.5 sources over South Asia which in turn may be valuable to develop strategies for emission control. Particulate source apportionment (SA) through receptor models is one of the existing tool to quantify contribution of particulate sources. Review of 51 SA studies were performed of which 48 (94%) were appeared within a span of 2007-2016. Almost half of SA studies (55%) were found concentrated over few typical urban stations (Delhi, Dhaka, Mumbai, Agra and Lahore). Due to lack of local particulate source profile and emission inventory, positive matrix factorization and principal component analysis (62% of studies) were the primary choices, followed by chemical mass balance (CMB, 18%). Metallic species were most regularly used as source tracers while use of organic molecular markers and gas-to-particle conversion were minimum. Among all the SA sites, vehicular emissions (mean ± sd: 37 ± 20%) emerged as most dominating PM 2.5 source followed by industrial emissions (23 ± 16%), secondary aerosols (22 ± 12%) and natural sources (20 ± 15%). Vehicular emissions (39 ± 24%) also identified as dominating source for highly polluted sites (PM 2.5 >100 μgm -3 , n = 15) while site specific influence of either or in combination of industrial, secondary aerosols and natural sources were recognized. Source specific trends were considerably varied in terms of region and seasonality. Both natural and industrial sources were most influential over Pakistan and Afghanistan while over Indo-Gangetic plain, vehicular, natural and industrial emissions appeared dominant. Influence of vehicular emission was

Changes in permittivity and density of molecular liquids under high pressure.

Science.gov (United States)

Kiselev, Vladimir D; Kornilov, Dmitry A; Konovalov, Alexander I

2014-04-03

We collected and analyzed the density and permittivity of 57 nonpolar and dipolar molecular liquids at different temperatures (143 sets) and pressures (555 sets). No equation was found that could accurately predict the change to polar liquid permittivity by the change of its density in the range of the pressures and temperatures tested. Consequently, the influence of high hydrostatic pressure and temperature on liquid permittivity may be a more complicated process compared to density changes. The pressure and temperature coefficients of permittivity can be drastically larger than the pressure and temperature coefficients of density, indicating that pressure and particularly temperature significantly affect the structure of molecular liquids. These changes have less influence on the density change but can strongly affect the permittivity change. The clear relationship between the tangent and secant moduli of the permittivity curvatures under pressure for various molecular liquids at different temperatures was obtained, from which one can calculate the Tait equation coefficients from the experimental values of the pressure influence on the permittivity at ambient pressure.

Effect of molecular weight on the quality of poly(alpha-methylstyrene mandrel

Directory of Open Access Journals (Sweden)

Xiuyun Shangguan

2017-07-01

Full Text Available Hollow poly(alpha-methylstyrene (PAMS shows application in inertial confinement fusion experiments as the degradable mandrels of glow plasma polymer shells. However, the molecular weight of PAMS has great influence on the quality of mandrels. In this work, this influence was systematically studied using several PAMS samples with different molecular weights. For PAMS shells with 900 μm inner diameter and different wall thickness, when the molecular weight of PAMS is in the range of 300–500 kg·mol−1, perfect sphericity and good wall thickness uniformity can be obtained. In contrast, when increasing molecular weight to 800 kg·mol−1, the sphericity and the wall thickness uniformity become worse. Moreover, compared with the wall uniformity, the sphericity of PAMS shells was much less sensitive to the molecular weight. The results also showed that the stability of W1/O compound droplets of PAMS shells were less affected by the molecular weight. It was revealed that the wall uniformity and the sphericity of the PAMS shells were associated with the diffusion rates of fluorobenzene (FB.

Advancing Molecular Therapies through In Vivo Bioluminescent Imaging

Directory of Open Access Journals (Sweden)

Anton McCaffrey

2003-04-01

Full Text Available Effective development of therapeutics that target the molecular basis of disease is dependent on testing new therapeutic moieties and delivery strategies in animal models of human disease. Accelerating the analyses of these models and improving their predictive value through whole animal imaging methods, which provide data in real time and are sensitive to the subtle changes, are crucial for rapid advancement of these approaches. Modalities based on optics are rapid, sensitive, and accessible methods for in vivo analyses with relatively low instrumentation costs. In vivo bioluminescent imaging (BLI is one of these optically based imaging methods that enable rapid in vivo analyses of a variety of cellular and molecular events with extreme sensitivity. BLI is based on the use of light-emitting enzymes as internal biological light sources that can be detected externally as biological indicators. BLI has been used to test spatio-temporal expression patterns of both target and therapeutic genes in living laboratory animals where the contextual influences of whole biological systems are preserved. BLI has also been used to analyze gene delivery, immune cell therapies, and the in vivo efficacy of inhibitory RNAs. New tools for BLI are being developed that will offer greater flexibility in detection and analyses. BLI can be used to accelerate the evaluation of experimental therapeutic strategies and whole body imaging offers the opportunity of revealing the effects of novel approaches on key steps in disease processes.

Influence of the 192Ir source decay on biological effect

International Nuclear Information System (INIS)

Wang Shunbao; Feng Ningyuan; Niu Wenzhe; Yang Yuhui; Guo Lei

1994-01-01

Biological effect of the 192 Ir high activity source on LA 795 tumor of mice and HCT-8 cells have been investigated when decay of the source power from 340.4 GBq to 81.4 GBq no marked difference was found between the two cell survival curves of HCT-8 cells and both of them compared with that of the X-ray irradiation the value of relative biological effect (0.1 survival) was 0.43. On the experiment of tumor LA 795 of mice, when the source power was 293.3 GBq and 96.2 GBq, no different biological effect can be seen between the two series of figures. The relative biological effect was 0.55-0.60 (tumor growth delay) comparing with those of X-ray irradiation

Molecular-beam spectroscopy of interhalogen molecules

International Nuclear Information System (INIS)

Sherrow, S.A.

1983-08-01

A molecular-beam electric-resonance spectrometer employing a supersonic nozzle source has been used to obtain hyperfine spectra of 79 Br 35 Cl. Analyses of these spectra and of microwave spectra published by other authors have yielded new values for the electric dipole moment and for the nuclear quadrupole coupling constants in this molecule. The new constants are significantly different from the currently accepted values. Van der Waals clusters containing chlorine monofluoride have been studied under various expansion conditions by the molecular-beam electric-deflection method. The structural possibilities indicated by the results are discussed, and cluster geometries are proposed

Physics with fast molecular-ion beams

International Nuclear Information System (INIS)

Kanter, E.P.

1980-01-01

Fast (MeV) molecular-ion beams provide a unique source of energetic projectile nuclei which are correlated in space and time. The recognition of this property has prompted several recent investigations of various aspects of the interactions of these ions with matter. High-resolution measurements on the fragments resulting from these interactions have already yielded a wealth of new information on such diverse topics as plasma oscillations in solids and stereochemical structures of molecular ions as well as a variety of atomic collision phenomena. The general features of several such experiments will be discussed and recent results will be presented

Molecular Entropy, Thermal Efficiency, and Designing of Working Fluids for Organic Rankine Cycles

Science.gov (United States)

Wang, Jingtao; Zhang, Jin; Chen, Zhiyou

2012-06-01

A shortage of fossil energy sources boosts the utilization of renewable energy. Among numerous novel techniques, recovering energy from low-grade heat sources through power generation via organic Rankine cycles (ORCs) is one of the focuses. Properties of working fluids are crucial for the ORC's performance. Many studies have been done to select proper working fluids or to design new working fluids. However, no researcher has systematically investigated the relationship between molecular structures and thermal efficiencies of various working fluids for an ideal ORC. This paper has investigated the interrelations of molecular structures, molecular entropies, and thermal efficiencies of various working fluids for an ideal ORC. By calculating thermal efficiencies and molecular entropies, we find that the molecular entropy is the most appropriate thermophysical property of a working fluid to determine how much energy can be converted into work and how much cannot in a system. Generally speaking, working fluids with low entropies will generally have high thermal efficiency for an ideal ORC. Based on this understanding, the direct interrelations of molecular structures and entropies provide an explicit interrelation between molecular structures and thermal efficiencies, and thus provide an insightful direction for molecular design of novel working fluids for ORCs.

A combination thermal dissociation/electron impact ionization source for RIB generation

International Nuclear Information System (INIS)

Alton, G.D.; Cui, B.; Welton, R.F.

1996-01-01

The flourishing interest in radioactive ion beams (RIBs) with intensities adequate for astrophysics and nuclear physics research place a premium on targets that will swiftly release trace amounts of short lived radio-nuclei in the presence of bulk quantities of target material and ion sources that have the capability of efficiently ionizing the release products. Because of the low probability of simultaneously dissociating and efficiently ionizing the individual atomic constituents of molecules containing the element of interest with conventional, hot-cathode, electron-impact ion sources, the species of interest is often distributed in several mass channels in the form of molecular sideband beams and, consequently, the intensity is diluted. The authors have conceived an ion source that combines the excellent molecular dissociation properties of a thermal dissociator and the high efficiency characteristics of an electron impact ionization source to address these problems. If the concept proves to be a viable option, the source will be used as a complement to the electron beam plasma ion sources already in use at the HRIBF. The design features and principles of operation of the source are described in this article

Shocked molecular hydrogen in the supernova remnant IC 443

International Nuclear Information System (INIS)

Burton, M.G.; Brand, P.W.J.L.; Webster, A.S.

1988-01-01

Emission from the υ = 1-0 S(1) line of molecular hydrogen has been mapped over a section of the supernova remnant IC 443. The emission originates in a sinuous ridge where the expanding shell of the SNR is interacting with a molecular cloud. The relative intensities of the 1-0 S(1), 1-0 S(0) and 2-1 S(1) lines at 2.1-2.2 μm were measured and found to be characteristic of shock-excitation of the gas. The ridge shows bright spots which are possibly density enhancements in the molecular cloud. The total luminosity of the molecular hydrogen lines in the mapped region is estimated to be about 1000 times the solar luminosity, making IC 443 one of the most luminous galactic molecular hydrogen sources yet detected. (author)

On simulation of local fluxes in molecular junctions

Science.gov (United States)

Cabra, Gabriel; Jensen, Anders; Galperin, Michael

2018-05-01

We present a pedagogical review of the current density simulation in molecular junction models indicating its advantages and deficiencies in analysis of local junction transport characteristics. In particular, we argue that current density is a universal tool which provides more information than traditionally simulated bond currents, especially when discussing inelastic processes. However, current density simulations are sensitive to the choice of basis and electronic structure method. We note that while discussing the local current conservation in junctions, one has to account for the source term caused by the open character of the system and intra-molecular interactions. Our considerations are illustrated with numerical simulations of a benzenedithiol molecular junction.

Humidity Effects on Fragmentation in Plasma-Based Ambient Ionization Sources.

Science.gov (United States)

Newsome, G Asher; Ackerman, Luke K; Johnson, Kevin J

2016-01-01

Post-plasma ambient desorption/ionization (ADI) sources are fundamentally dependent on surrounding water vapor to produce protonated analyte ions. There are two reports of humidity effects on ADI spectra. However, it is unclear whether humidity will affect all ADI sources and analytes, and by what mechanism humidity affects spectra. Flowing atmospheric pressure afterglow (FAPA) ionization and direct analysis in real time (DART) mass spectra of various surface-deposited and gas-phase analytes were acquired at ambient temperature and pressure across a range of observed humidity values. A controlled humidity enclosure around the ion source and mass spectrometer inlet was used to create programmed humidity and temperatures. The relative abundance and fragmentation of molecular adduct ions for several compounds consistently varied with changing ambient humidity and also were controlled with the humidity enclosure. For several compounds, increasing humidity decreased protonated molecule and other molecular adduct ion fragmentation in both FAPA and DART spectra. For others, humidity increased fragment ion ratios. The effects of humidity on molecular adduct ion fragmentation were caused by changes in the relative abundances of different reagent protonated water clusters and, thus, a change in the average difference in proton affinity between an analyte and the population of water clusters. Control of humidity in ambient post-plasma ion sources is needed to create spectral stability and reproducibility.

Microporous and meso porous molecular sieves

International Nuclear Information System (INIS)

Araujo, Antonio Souza de

1999-01-01

In this work, general aspects on the microporous and mesoporous molecular sieves using inorganic sources of aluminium, silicon, phosphorous, water and structural organic templates are reviewed. The nomenclature, synthesis, structure, acidity and chemical functionality of microporous zeolites and silico alumino phosphate, besides mesoporous MCM-41 material, will be emphasized. (author)

Belgrade waterworks groundwater source

International Nuclear Information System (INIS)

Sotic, A.; Dasic, M.; Vukcevic, G.; Vasiljevic, Lj.; Nikolic, S.

2002-01-01

Paper deals with Belgrade Waterworks groundwater source, its characteristics, conception of protection programme, contaminations on source and with parameters of groundwater quality degradation. Groundwaters present natural heritage with their strategic and slow renewable natural resources attributes, and as such they require priority in protection. It is of greatest need that existing source is to be protected and used optimally for producing quality drinkable water. The concept of source protection programme should be based on regular water quality monitoring, identification of contaminators, defining areas of their influences on the source and their permanent control. However, in the last 10 years, but drastically in the last 3, because of the overall situation in the country, it is very characteristic downfall in volume of business, organisation and the level of supply of the technical equipment

Molecular biogeochemical provinces in the Atlantic Surface Ocean

Science.gov (United States)

Koch, B. P.; Flerus, R.; Schmitt-Kopplin, P.; Lechtenfeld, O. J.; Bracher, A.; Cooper, W.; Frka, S.; Gašparović, B.; Gonsior, M.; Hertkorn, N.; Jaffe, R.; Jenkins, A.; Kuss, J.; Lara, R. J.; Lucio, M.; McCallister, S. L.; Neogi, S. B.; Pohl, C.; Roettgers, R.; Rohardt, G.; Schmitt, B. B.; Stuart, A.; Theis, A.; Ying, W.; Witt, M.; Xie, Z.; Yamashita, Y.; Zhang, L.; Zhu, Z. Y.; Kattner, G.

2010-12-01

One of the most important aspects to understand marine organic carbon fluxes is to resolve the molecular mechanisms which convert fresh, labile biomolecules into semi-labile and refractory dissolved and particulate organic compounds in the ocean. In this interdisciplinary project, which was performed on a cruise with RV Polarstern, we carried out a detailed molecular characterisation of dissolved organic matter (DOM) on a North-South transect in the Atlantic surface ocean in order to relate the data to different biological, climatic, oceanographic, and meteorological regimes as well as to terrestrial input from riverine and atmospheric sources. Our goal was to achieve a high resolution data set for the biogeochemical characterisation of the sources and reactivity of DOM. We applied ultrahigh resolution Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR-MS), nutrient, trace element, amino acid, and lipid analyses and other biogeochemical measurements for 220 samples from the upper water column (0-200m) and eight deep profiles. Various spectroscopic techniques were applied continuously in a constant sample water flow supplied by a fish system and the moon pool. Radiocarbon dating enabled assessing DOC residence time. Bacterial abundance and production provided a metabolic context for the DOM characterization work and pCO2 concentrations. Combining molecular organic techniques and inductively coupled plasma mass spectrometry (ICP-MS) established an important link between organic and inorganic biogeochemical studies. Multivariate statistics, primarily based on FT-ICR-MS data for 220 samples, allowed identifying geographical clusters which matched ecological provinces proposed previously by Longhurst (2007). Our study demonstrated that marine DOM carries molecular information reflecting the “history” of ocean water masses. This information can be used to define molecular biogeochemical provinces and to improve our understanding of element fluxes in

Modeling the Influence of Process Parameters and Additional Heat Sources on Residual Stresses in Laser Cladding

Science.gov (United States)

Brückner, F.; Lepski, D.; Beyer, E.

2007-09-01

In laser cladding thermal contraction of the initially liquid coating during cooling causes residual stresses and possibly cracks. Preweld or postweld heating using inductors can reduce the thermal strain difference between coating and substrate and thus reduce the resulting stress. The aim of this work is to better understand the influence of various thermometallurgical and mechanical phenomena on stress evolution and to optimize the induction-assisted laser cladding process to get crack-free coatings of hard materials at high feed rates. First, an analytical one-dimensional model is used to visualize the most important features of stress evolution for a Stellite coating on a steel substrate. For more accurate studies, laser cladding is simulated including the powder-beam interaction, the powder catchment by the melt pool, and the self-consistent calculation of temperature field and bead shape. A three-dimensional finite element model and the required equivalent heat sources are derived from the results and used for the transient thermomechanical analysis, taking into account phase transformations and the elastic-plastic material behavior with strain hardening. Results are presented for the influence of process parameters such as feed rate, heat input, and inductor size on the residual stresses at a single bead of Stellite coatings on steel.

Molecular beam epitaxy for the future

International Nuclear Information System (INIS)

Takahashi, K.

1984-01-01

Molecular beam epitaxy (MBE) is most commonly used to fabricate super-lattices, high electron mobility transistors, multi-quantum well lasers and other new semiconductor devices by utilizing its excellent controlability. MBE for the future is presumed to include techniques such as metalorganic chemical vapor deposition, photochemical reaction process using gas sources and ion implantation. A report on the crystal growth of GaAs using metalorganics, trimethylgallium and triethylgallium, which are usually used in chemical vapor deposition, as gaseous sources of gallium in an MBE system is made. (Author) [pt

Assessing genotoxic effects in fish from a marine protected area influenced by former mining activities and other stressors

International Nuclear Information System (INIS)

Gusso-Choueri, Paloma Kachel; Choueri, Rodrigo Brasil; Santos, Gustavo Souza; Seraphim de Araújo, Giuliana; Feitosa Cruz, Ana Carolina

2016-01-01

The goal of the current study was to evaluate different genotoxicity tools in order to assess a marine protected area (MPA) affected by former mining activities and urban settlements. A catfish (Cathorops spixii) was analyzed for genotoxic effects at the (i) molecular and at the (ii) chromosomal levels. Through factor analysis, genotoxicity was found to be linked to levels of metals bioaccumulated and PAH metabolites in the bile. Micronucleus and nuclear alteration were less vulnerable to the effects of confounding factors in mildly contaminated areas since they were more frequently associated with bioaccumulated metals than the DNA analysis. The different genotoxicity responses allowed for the identification of sources of pollution in the MPA. This approach was important for detecting environmental risks related to genotoxic contaminants in a mildly contaminated MPA. -- Highlights: •We assessed genotoxicity and bioaccumulation in catfish from a marine protected area. •The area is under the influence of past mining activities and urban settlements. •Cellular level responses were highly associated with body burdens of metals and As. •Responses at the molecular level were less associated with body burdens. •Genotoxicity in different organs helped identify pollution sources in MPA.

Synchrotron radiation sources

Energy Technology Data Exchange (ETDEWEB)

van Steenbergen, A.

1979-01-01

As a result of the exponential growth of the utilization of synchrotron radiation for research in the domain of the material sciences, atomic and molecular physics, biology and technology, a major construction activity has been generated towards new dedicated electron storage rings, designed optimally for synchrotron radiation applications, also, expansion programs are underway at the existing facilities, such as DORIS, SPEAR, and VEPP. In this report the basic properties of synchrotron radiation will be discussed, a short overview will be given of the existing and new facilities, some aspects of the optimization of a structure for a synchrotron radiation source will be discussed and the addition of wigglers and undulators for spectrum enhancement will be described. Finally, some parameters of an optimized synchrotron radiation source will be given.

Hybrid organic-inorganic rotaxanes and molecular shuttles.

Science.gov (United States)

Lee, Chin-Fa; Leigh, David A; Pritchard, Robin G; Schultz, David; Teat, Simon J; Timco, Grigore A; Winpenny, Richard E P

2009-03-19

The tetravalency of carbon and its ability to form covalent bonds with itself and other elements enables large organic molecules with complex structures, functions and dynamics to be constructed. The varied electronic configurations and bonding patterns of inorganic elements, on the other hand, can impart diverse electronic, magnetic, catalytic and other useful properties to molecular-level structures. Some hybrid organic-inorganic materials that combine features of both chemistries have been developed, most notably metal-organic frameworks, dense and extended organic-inorganic frameworks and coordination polymers. Metal ions have also been incorporated into molecules that contain interlocked subunits, such as rotaxanes and catenanes, and structures in which many inorganic clusters encircle polymer chains have been described. Here we report the synthesis of a series of discrete rotaxane molecules in which inorganic and organic structural units are linked together mechanically at the molecular level. Structural units (dialkyammonium groups) in dumb-bell-shaped organic molecules template the assembly of essentially inorganic 'rings' about 'axles' to form rotaxanes consisting of various numbers of rings and axles. One of the rotaxanes behaves as a 'molecular shuttle': the ring moves between two binding sites on the axle in a large-amplitude motion typical of some synthetic molecular machine systems. The architecture of the rotaxanes ensures that the electronic, magnetic and paramagnetic characteristics of the inorganic rings-properties that could make them suitable as qubits for quantum computers-can influence, and potentially be influenced by, the organic portion of the molecule.

Optical Pumping of Molecular Gases

Science.gov (United States)

1976-04-01

ser emission ott a The typical experimental apparatus is shown i.- Fig. *series of green and yellow molecular B-X’-basnd transi- 2. For B-bantd optical...with A, at 0. 473 pim and that Na2 may operate as a flash -lamp -pumped laser X,... at 0. 54 umn the Doppler widths are AwD - 12.42 source with buffer

An application of the theory of planned behaviour to study the influencing factors of participation in source separation of food waste

International Nuclear Information System (INIS)

Karim Ghani, Wan Azlina Wan Ab.; Rusli, Iffah Farizan; Biak, Dayang Radiah Awang; Idris, Azni

2013-01-01

Highlights: ► Theory of planned behaviour (TPB) has been conducted to identify the influencing factors for participation in source separation of food waste using self administered questionnaires. ► The findings suggested several implications for the development and implementation of waste separation at home programme. ► The analysis indicates that the attitude towards waste separation is determined as the main predictors where this in turn could be a significant predictor of the repondent’s actual food waste separation behaviour. ► To date, none of similar have been reported elsewhere and this finding will be beneficial to local Authorities as indicator in designing campaigns to promote the use of waste separation programmes to reinforce the positive attitudes. - Abstract: Tremendous increases in biodegradable (food waste) generation significantly impact the local authorities, who are responsible to manage, treat and dispose of this waste. The process of separation of food waste at its generation source is identified as effective means in reducing the amount food waste sent to landfill and can be reused as feedstock to downstream treatment processes namely composting or anaerobic digestion. However, these efforts will only succeed with positive attitudes and highly participations rate by the public towards the scheme. Thus, the social survey (using questionnaires) to analyse public’s view and influencing factors towards participation in source separation of food waste in households based on the theory of planned behaviour technique (TPB) was performed in June and July 2011 among selected staff in Universiti Putra Malaysia, Serdang, Selangor. The survey demonstrates that the public has positive intention in participating provided the opportunities, facilities and knowledge on waste separation at source are adequately prepared by the respective local authorities. Furthermore, good moral values and situational factors such as storage convenience and

An application of the theory of planned behaviour to study the influencing factors of participation in source separation of food waste

Energy Technology Data Exchange (ETDEWEB)

Karim Ghani, Wan Azlina Wan Ab., E-mail: wanaz@eng.upm.edu.my [Department of Chemical and Environmental Engineering, Faculty of Engineering, University Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Rusli, Iffah Farizan, E-mail: iffahrusli@yahoo.com [Department of Chemical and Environmental Engineering, Faculty of Engineering, University Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Biak, Dayang Radiah Awang, E-mail: dayang@eng.upm.edu.my [Department of Chemical and Environmental Engineering, Faculty of Engineering, University Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia); Idris, Azni, E-mail: azni@eng.upm.edu.my [Department of Chemical and Environmental Engineering, Faculty of Engineering, University Putra Malaysia, 43400 Serdang, Selangor Darul Ehsan (Malaysia)

2013-05-15

Highlights: ► Theory of planned behaviour (TPB) has been conducted to identify the influencing factors for participation in source separation of food waste using self administered questionnaires. ► The findings suggested several implications for the development and implementation of waste separation at home programme. ► The analysis indicates that the attitude towards waste separation is determined as the main predictors where this in turn could be a significant predictor of the repondent’s actual food waste separation behaviour. ► To date, none of similar have been reported elsewhere and this finding will be beneficial to local Authorities as indicator in designing campaigns to promote the use of waste separation programmes to reinforce the positive attitudes. - Abstract: Tremendous increases in biodegradable (food waste) generation significantly impact the local authorities, who are responsible to manage, treat and dispose of this waste. The process of separation of food waste at its generation source is identified as effective means in reducing the amount food waste sent to landfill and can be reused as feedstock to downstream treatment processes namely composting or anaerobic digestion. However, these efforts will only succeed with positive attitudes and highly participations rate by the public towards the scheme. Thus, the social survey (using questionnaires) to analyse public’s view and influencing factors towards participation in source separation of food waste in households based on the theory of planned behaviour technique (TPB) was performed in June and July 2011 among selected staff in Universiti Putra Malaysia, Serdang, Selangor. The survey demonstrates that the public has positive intention in participating provided the opportunities, facilities and knowledge on waste separation at source are adequately prepared by the respective local authorities. Furthermore, good moral values and situational factors such as storage convenience and

1978 bibliography of atomic and molecular processes

International Nuclear Information System (INIS)

1980-03-01

This annotated bibliography lists 2557 works on atomic and molecular processes reported in publications dated 1978. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing are indexes of reactants and authors

1979 bibliography of atomic and molecular processes

International Nuclear Information System (INIS)

1980-08-01

This annotated bibliography lists 2146 works on atomic and molecular processes reported in publications dated 1979. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory, to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing are indexes of reactants and authors

1980 bibliography of atomic and molecular processes

International Nuclear Information System (INIS)

1982-02-01

This annotated bibliography lists 2866 works on atomic and molecular processes reported in publications dated 1980. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory, to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing are indexes of reactants and authors

Photoinduced optical anisotropy in azobenzene methacrylate block copolymers: Influence of molecular weight and irradiation conditions

DEFF Research Database (Denmark)

Gimeno, Sofia; Forcen, Patricia; Oriol, Luis

2009-01-01

The photoinduced anisotropy in a series of azomethacrylate block copolymers with different Molecular weights and azo contents has been investigated under several irradiation conditions. Depending on molecular weight and composition, different microstructures (disordered, lamellar, spherical) appe...

Mass loading and episodic variation of molecular markers in PM2.5 aerosols over a rural area in eastern central India

Science.gov (United States)

Nirmalkar, Jayant; Deshmukh, Dhananjay K.; Deb, Manas K.; Tsai, Ying I.; Sopajaree, Khajornsak

2015-09-01

The impact of biomass burning in atmospheric aerosols load is poorly known. We investigated the impact of biomass burning through molecular markers on the concentration of PM2.5 aerosol samples collected from a rural site in eastern central India during three episodic periods from October to November 2011. The collected PM2.5 samples were chemically quantified for potassium as well as sugars and dicarboxylic acids using ion chromatography. Levoglucosan and glucose were found as the most abundant sugar compounds and sugar-alcohols showed the predominance of mannitol whereas oxalic acid was the most abundant diacid followed by maleic acid in PM2.5 aerosols. Substantially enhanced concentrations of K+ as well as levoglucosan and glucose were observed in eastern central India. Analysis of the source specific molecular markers and ratios of sugars and diacids infer that combustion of biomass was the major emission sources of organic compounds associated with PM2.5 aerosols over eastern central India. We applied Spearman correlation analysis and principal component analysis to further investigate the sources of measured sugars and diacids. The concentrations of K+ and levoglucosan were significantly correlated with sugars and diacids that verifying their common sources from biomass burning emission. This study demonstrates that biomass burning for domestic heating and cooking purposes and agricultural activities significantly influence the air quality of eastern central India during the investigation period. The obtained data in this research is helpful for the global scientific community to assessments and remedial of air quality parameters in rural areas of developing countries under similar atmospheric circumstances.

Molecular confirmation of shampoo as the putative source of Pseudomonas aeruginosa-induced postgrooming furunculosis in a dog.

Science.gov (United States)

Tham, Heng L; Jacob, Megan E; Bizikova, Petra

2016-08-01

An acute onset furunculosis due to Pseudomonas aeruginosa following grooming is a well recognized entity. Although contaminated shampoos have been suspected to be the source of the infection, a molecular confirmation of this association has been missing. This case report describes a dog with postgrooming furunculosis in which Pseudomonas aeruginosa with an identical genetic fingerprint was isolated from the skin lesions as well as from the shampoo used prior to the disease onset. The dog presented for lethargy, anorexia, pain and rapidly progressing skin lesions consistent with haemorrhagic papules, pustules, coalescing ulcers and crusts localized to the dorsal and lateral aspects of the thorax and gluteal region, which developed within 24 h after a bath. Cytology demonstrated suppurative inflammation with occasional intracellular rod-shaped bacteria. Bacterial culture from skin lesions and the shampoo bottle yielded Pseudomonas aeruginosa with an identical pulsed-field gel electrophoresis pattern. Treatment with oral ciprofloxacin and topical antimicrobial shampoo resulted in a complete resolution of skin lesions within eight weeks. Our clinical investigation suggests a link between Pseudomonas-contaminated shampoo and development of postgrooming furunculosis, and underscores the need for hygienic management of shampoos to help limit this disease. © 2016 ESVD and ACVD.

Environmental research at the Advanced Photon Source

International Nuclear Information System (INIS)

Kemner, K.M.; Boyanov, M.I.; Eng, P.; Fenter, P.; Heald, S.; Lai, B.; Lee, S.S.; Scheckel, K.G.; Skanthakumar, S.; Sutton, S.R.; Wilson, R.E.

2010-01-01

Because of the importance of probing molecular-scale chemical and physical structure of environmental samples in their natural and often hydrated state, synchrotron radiation has been a powerful tool for environmental scientists for decades. Thus, the crucial role that a highly coherent and high-brightness hard X-ray source such as the Advance Photon Source (APS) can play in addressing many of the outstanding questions in molecular environmental science (MES) was recognized even before 'first light' at the facility. No single synchrotron-based technique or experimental approach can adequately address the tremendous temporal and spatial heterogeneities of the chemistry, physics, and biology of natural environmental samples. Thus, it is common at the APS that multiple X-ray techniques and experimental systems are employed to investigate environmental samples, often chosen for their ability to focus on solute species, plants, microbes, organics, interfacial species, or solids.

Influence of Ionization Source Conditions on the Gas-Phase Protomer Distribution of Anilinium and Related Cations.

Science.gov (United States)

Attygalle, Athula B; Xia, Hanxue; Pavlov, Julius

2017-08-01

The gas-phase-ion generation technique and specific ion-source settings of a mass spectrometer influence heavily the protonation processes of molecules and the abundance ratio of the generated protomers. Hitherto that has been attributed primarily to the nature of the solvent and the pH. By utilizing electrospray ionization and ion-mobility mass spectrometry (IM-MS), we demonstrate, even in the seemingly trivial case of protonated aniline, that the protomer ratio strongly depends on the source conditions. Under low in-source ion activation, nearly 100% of the N-protomer of aniline is produced, and it can be subsequently converted to the C-protomer by collisional activation effected by increasing the electrical potential difference between the entrance and exit orifices of the first vacuum region. This activation and transformation process takes place even before the ion is mass-selected and subjected to IM separation. Despite the apparent simplicity of the problem, the preferred protonation site of aniline in the gas phase-the amino group or the aromatic ring-has been a topic of controversy. Our results not only provide unambiguous evidence that ring- and nitrogen-protonated aniline can coexist and be interconverted in the gas phase, but also that the ratio of the protomers depends on the internal energy of the original ion. There are many dynamic ion-transformation and fragmentation processes that take place in the different physical compartments of a Synapt G2 HDMS instrument. Such processes can dramatically change the very identity even of small ions, and therefore should be taken into account when interpreting product-ion mass spectra. Graphical Abstract ᅟ.

Photon statistics characterization of a single-photon source

International Nuclear Information System (INIS)

Alleaume, R; Treussart, F; Courty, J-M; Roch, J-F

2004-01-01

In a recent experiment, we reported the time-domain intensity noise measurement of a single-photon source relying on single-molecule fluorescence control. In this paper, we present data processing starting from photocount timestamps. The theoretical analytical expression of the time-dependent Mandel parameter Q(T) of an intermittent single-photon source is derived from ON↔OFF dynamics. Finally, source intensity noise analysis, using the Mandel parameter, is quantitatively compared with the usual approach relying on the time autocorrelation function, both methods yielding the same molecular dynamical parameters

Influence of carbon and nitrogen source on production of volatile fragrance and flavour metabolites by the yeast Kluyveromyces marxianus.

Science.gov (United States)

Gethins, Loughlin; Guneser, Onur; Demirkol, Aslı; Rea, Mary C; Stanton, Catherine; Ross, R Paul; Yuceer, Yonca; Morrissey, John P

2015-01-01

The yeast Kluyveromyces marxianus produces a range of volatile molecules with applications as fragrances or flavours. The purpose of this study was to establish how nutritional conditions influence the production of these metabolites. Four strains were grown on synthetic media, using a variety of carbon and nitrogen sources and volatile metabolites analysed using gas chromatography-mass spectrometry (GC-MS). The nitrogen source had pronounced effects on metabolite production: levels of the fusel alcohols 2-phenylethanol and isoamyl alcohol were highest when yeast extract was the nitrogen source, and ammonium had a strong repressing effect on production of 2-phenylethyl acetate. In contrast, the nitrogen source did not affect production of isoamyl acetate or ethyl acetate, indicating that more than one alcohol acetyl transferase activity is present in K. marxianus. Production of all acetate esters was low when cells were growing on lactose (as opposed to glucose or fructose), with a lower intracellular pool of acetyl CoA being one explanation for this observation. Bioinformatic and phylogenetic analysis of the known yeast alcohol acetyl transferases ATF1 and ATF2 suggests that the ancestral protein Atf2p may not be involved in synthesis of volatile acetate esters in K. marxianus, and raises interesting questions as to what other genes encode this activity in non-Saccharomyces yeasts. Identification of all the genes involved in ester synthesis will be important for development of the K. marxianus platform for flavour and fragrance production. Copyright © 2014 John Wiley & Sons, Ltd.

The influence of aliphatic side chain of anacardic acid on molecular ...

African Journals Online (AJOL)

Interestingly, the presence of the aliphatic side chain in AnMcr resulted in more uniform imprinted beads as compared to particle agglomerates obtained from SaMcr in the presence of propranolol template. Therefore, the aliphatic side chain of anacardic acid improves both molecular recognition of imprinted polymers as ...

Determination of sulfur in human hair using high resolution continuum source graphite furnace molecular absorption spectrometry and its correlation with total protein and albumin

Science.gov (United States)

Ozbek, Nil; Baysal, Asli

2017-04-01

Human hair is a valuable contributor for biological monitoring. It is an information storage point to assess the effects of environmental, nutritional or occupational sources on the body. Human proteins, amino acids or other compounds are among the key components to find the sources of different effects or disorders in the human body. Sulfur is a significant one of these compounds, and it has great affinity to some metals and compounds. This property of the sulfur affects the human health positively or negatively. In this manuscript, sulfur was determined in hair samples of autistic and age-match control group children via molecular absorption of CS using a high-resolution continuum source graphite furnace atomic absorption spectrometer. For this purpose, hair samples were appropriately washed and dried at 75 °C. Then samples were dissolved in microwave digestion using HNO3 for sulfur determination. Extraction was performed with HCl hydrolysation by incubation for 24 h at 110 °C for total protein and albumin determination. The validity of the method for the sulfur determination was tested using hair standard reference materials. The results were in the uncertainty limits of the certified values at 95% confidence level. Finally correlation of sulfur levels of autistic children's hair with their total protein and albumin levels were done.

Study of the molecular and ionized gas in a possible precursor of an ultra-compact H II region

Science.gov (United States)

Ortega, M. E.; Paron, S.; Giacani, E.; Celis Peña, M.; Rubio, M.; Petriella, A.

2017-10-01

Aims: We aim to study the molecular and the ionized gas in a possible precursor of an ultra-compact H II region to contribute to the understanding of how high-mass stars build-up their masses once they have reached the zero-age main sequence. Methods: We carried out molecular observations toward the position of the Red MSX source G052.9221-00.4892, using the Atacama Submillimeter Telescope Experiment (ASTE; Chile) in the 12CO J = 3-2, 13CO J = 3-2, C18O J = 3-2, and HCO+J = 4-3 lines with an angular resolution of about 22''. We also present radio continuum observations at 6 GHz carried out with the Jansky Very Large Array (JVLA; USA) interferometer with a synthesized beam of 4.8 arcsec × 4.1 arcsec. The molecular data were used to study the distribution and kinematics of the molecular gas, while the radio continuum data were used to characterize the ionized gas in the region. Combining these observations with public infrared data allowed us to inquire about the nature of the source. Results: The analysis of the molecular observations reveals the presence of a kinetic temperature and H2 column density gradients across the molecular clump in which the Red MSX source G052.9221-00.4892 is embedded, with the hotter and less dense gas in the inner region. The 12CO J = 3-2 emission shows evidence of misaligned massive molecular outflows, with the blue lobe in positional coincidence with a jet-like feature seen at 8 μm. The radio continuum emission shows a slightly elongated compact radio source, with a flux density of about 0.9 mJy, in positional coincidence with the Red MSX source. The polar-like morphology of this compact radio source perfectly matches the hourglass-like morphology exhibited by the source in the Ks band. Moreover, the axes of symmetry of the radio source and the near-infrared nebula are perfectly aligned. Thus, based on the presence of molecular outflows, the slightly elongated morphology of the compact radio source matching the hourglass

Influence of Homogenization and Micro/Nano Source of Starting Powders on Format Ion of the Single YAP Phase

Directory of Open Access Journals (Sweden)

Michalik D.

2016-12-01

Full Text Available Manufacturing high purity polycrystalline YAlO3 (YAP ceramics could replace monocrystalline YAP thus recently it is an interesting task for low cost producers of scintillators. The paper presents influence of different source of initial oxide powders (micro/nano powders of Y2O3 and Al2O3 and the method of their homogenization on the formation of a YAP phase. The solid state reaction method was used to prepare YAP powder or ceramic pellets. After preheating, all samples in the form of powders and pellets were heat-treated in the temperature range of 1050-1650 °C. DTA method was applied for examination of the phase crystallization in the tested system. X-ray diffraction method (XRD was used for characterization of the phase composition. X-ray microanalysis (EDS was used to control homogeneity in the small areas. Morphology of the resultant samples are presented on SEM pictures. The results show a significant influence of the starting powders on the homogeneity, purity and temperature of formation of the main phase.

ePMV embeds molecular modeling into professional animation software environments.

Science.gov (United States)

Johnson, Graham T; Autin, Ludovic; Goodsell, David S; Sanner, Michel F; Olson, Arthur J

2011-03-09

Increasingly complex research has made it more difficult to prepare data for publication, education, and outreach. Many scientists must also wade through black-box code to interface computational algorithms from diverse sources to supplement their bench work. To reduce these barriers we have developed an open-source plug-in, embedded Python Molecular Viewer (ePMV), that runs molecular modeling software directly inside of professional 3D animation applications (hosts) to provide simultaneous access to the capabilities of these newly connected systems. Uniting host and scientific algorithms into a single interface allows users from varied backgrounds to assemble professional quality visuals and to perform computational experiments with relative ease. By enabling easy exchange of algorithms, ePMV can facilitate interdisciplinary research, smooth communication between broadly diverse specialties, and provide a common platform to frame and visualize the increasingly detailed intersection(s) of cellular and molecular biology. Copyright © 2011 Elsevier Ltd. All rights reserved.

Influence of nitrogen sources on amino acid production by aspergillus niger

International Nuclear Information System (INIS)

Almani, F.; Dahot, M.U.

2007-01-01

The effect of different organic and inorganic nitrogen sources in 0.1% and 0.2% concentration on the production of amino acid was studied using a wild strain of Aspergillus niger. The rate of amino acid biosynthesis was found to be higher when 0.2% corn steep liquor was incorporated in the mineral medium. It was concluded from the study that the amino acid synthesis by wild strain depends not only on the nature and type of nitrogen sources used but the concentration of nitrogen source also play an important in the accumulation of free amino acids in the medium. (author)

Solvent Composition-Dependent Signal-Reduction of Molecular Ions Generated from Aromatic Compounds in (+) Atmospheric Pressure Photo Ionization Mass Spectrometry.

Science.gov (United States)

Lee, Seulgidaun; Ahmed, Arif; Kim, Sunghwan

2018-03-30

The ionization process is essential for successful mass spectrometry (MS) analysis because of its influence on selectivity and sensitivity. In particular, certain solvents reduce the ionization of the analyte, thereby reducing the overall sensitivity in APPI. Since the sensitivity varies greatly depending on the solvents, a fundamental understanding of the mechanism is required. Standard solutions were analyzed by (+) Atmospheric pressure photo ionization (APPI) QExactive ion trap mass spectrometer (Thermo Scientific). Each solution was infused directly to the APPI source at a flow rate 100 μl/min and the APPI source temperature was 300 °C. Other operating mass spectrometric parameters were maintained under the same conditions. Quantum mechanical calculations were carried out using the Gaussian 09 suite program. Density functional theory was used to calculate the reaction enthalpies (∆H) of reaction between toluene and other solvents. The experimental and theoretical results showed good agreement. The abundances of analyte ions were well correlated with the calculated ∆H values. Therefore, the results strongly support the suggested signal reduction mechanism. In addition, linear correlations between the abundance of toluene and analyte molecular ions were observed, which also supports the suggested mechanism. A solvent composition-dependent signal reduction mechanism was suggested and evaluated for the (+) atmospheric pressure photo ionization (APPI) mass spectrometry analysis of poly-aromatic hydrocarbons (PAHs) generating mainly molecular ions. Overall, the evidence provided in this work suggests that reactions between solvent cluster(s) and toluene molecular ions are responsible for the observed signal reductions. This article is protected by copyright. All rights reserved.

Design of Molecular Materials: Supramolecular Engineering

Science.gov (United States)

Simon, Jacques; Bassoul, Pierre

2001-02-01

This timely and fascinating book is destined to be recognised as THE book on supramolecular engineering protocols. It covers this sometimes difficult subject in an approachable form, gathering together information from many sources. Supramolecular chemistry, which links organic chemistry to materials science, is one of the fastest growth areas of chemistry research. This book creates a correlation between the structure of single molecules and the physical and chemical properties of the resulting materials. By making systematic changes to the component molecules, the resulting solid can be engineered for optimum performance. There is a clearly written development from synthesis of designer molecules to properties of solids and further on to devices and complex materials systems, providing guidelines for mastering the organisation of these systems. Topics covered include: Systemic chemistry Molecular assemblies Notions of symmetry Supramolecular engineering Principe de Curie Organisation in molecular media Molecular semiconductors Industrial applications of molecular materials This superb book will be invaluable to researchers in the field of supramolecular materials and also to students and teachers of the subject.

Salmonella source attribution based on microbial subtyping

DEFF Research Database (Denmark)

Barco, Lisa; Barrucci, Federica; Olsen, John Elmerdahl

2013-01-01

Source attribution of cases of food-borne disease represents a valuable tool for identifying and prioritizing effective food-safety interventions. Microbial subtyping is one of the most common methods to infer potential sources of human food-borne infections. So far, Salmonella microbial subtyping...... source attribution through microbial subtyping approach. It summarizes the available microbial subtyping attribution models and discusses the use of conventional phenotypic typing methods, as well as of the most commonly applied molecular typing methods in the European Union (EU) laboratories...

Study of characterizations of aerosols in a dust storm source region and its influence on Beijing by NAA and ICP-MS

International Nuclear Information System (INIS)

Song Yan; Chai Zhifang; Xu Diandou; Feng Weiyue; Ouyang Hong; Mao Xueying

2005-01-01

Dust storms have caused many problems in the environment, health and climate. For decades, dust storms have occurred frequently in various regions of China. The dust aerosols not only affected the local atmosphere, but also contaminated the atmosphere of the circumjacent regions. Further, they could affect Korea, Japan and even USA via long-range transportation. Many researches related to Chinese dust storms have been reported, however, there are few reports on the chemical components and characters of dust aerosols at their sources. Data on chemical properties of dust storm in the dust source region can help people understand the characteristics of dust storms and their influence on local and other regions. Duolun county (42 degree 13' N, 116 degree 25' E) lies in the southeast of Inner Mongolia, China, in the south of Hunshandake sands (one of the four famous sands in China). Because it is located at windward of Beijing, the dust aerosols can affect Beijing quickly when dust storm occurs. Hence, the study of chemical compositions and elemental abundance patterns of atmospheric particulate matters at Duolun is imperative to understand its influence on Beijing's atmospheric quality. In this work, TSP and PM2.5 samples were collected in Beijing and Duolun, Inner Mongolia, China, in April and May of 2002. Monthly arithmetic averages of the mass concentrations indicated that the pollution of atmospheric particulate matter's (APM) in Duolun was very serious, especially in April. The chemical compositions of total 163 samples were analyzed by INAA and ICP-MS and their origins were identified through Enrichment Factor and Principal Component Analysis. The results showed that the main source of Duolun aerosols was soil dust, and coal combustion constituted the important anthropogenic contribution. The dust events in April and changes of local meteorological conditions were the main reasons for the differences of APM characteristics between April and May. The

Discovery of a point-like very-high-energy gamma-ray source in Monoceros

International Nuclear Information System (INIS)

Aharonian, F.A.; Benbow, W.; Berge, D.; Bernlohr, K.; Bolz, O.; Braun, I.; Buhler, R.; Carrigan, S.; Costamante, L.; Domainko, W.; Egberts, K.; Forster, A.; Funk, S.; Hauser, D.; Hermann, G.; Hinton, J.A.; Hofmann, W.; Hoppe, S.; Khelifi, B.; Kosack, K.; Masterson, C.; Panter, M.; Rowell, G.; van Eldik, C.; Volk, H.J.; Akhperjanian, A.G.; Sahakian, V.; Bazer-Bachi, A.R.; Borrel, V.; Marcowith, A.; Olive, J.P.; Beilicke, M.; Cornils, R.; Heinzelmann, G.; Raue, M.; Ripken, J.; Bernlohr, K.; Funk, Seb.; Fussling, M.; Kerschhaggl, M.; Lohse, T.; Schlenker, S.; Schwanke, U.; Boisson, C.; Martin, J.M.; Sol, H.; Brion, E.; Glicenstein, J.F.; Goret, P.; Moulin, E.; Rolland, L.

2007-01-01

Aims. The complex Monoceros Loop SNR/Rosette Nebula region contains several potential sources of very-high-energy (VHE) γ-ray emission and two as yet unidentified high-energy EGRET sources. Sensitive VHE observations are required to probe acceleration processes in this region. Methods. The HESS telescope array has been used to search for very high-energy gamma-ray sources in this region. CO data from the NANTEN telescope were used to map the molecular clouds in the region, which could act as target material for γ-ray production via hadronic interactions. Results. We announce the discovery of a new γ-ray source, HESS J0632+057, located close to the rim of the Monoceros SNR. This source is unresolved by HESS and has no clear counterpart at other wavelengths but is possibly associated with the weak X-ray source 1RXS J063258.3+054857, the Be-star MWC148 and/or the lower energy γ-ray source 3EGJ0634+0521. No evidence for an associated molecular cloud was found in the CO data. (authors)

Molecular Rift: Virtual Reality for Drug Designers.

Science.gov (United States)

Norrby, Magnus; Grebner, Christoph; Eriksson, Joakim; Boström, Jonas

2015-11-23

Recent advances in interaction design have created new ways to use computers. One example is the ability to create enhanced 3D environments that simulate physical presence in the real world--a virtual reality. This is relevant to drug discovery since molecular models are frequently used to obtain deeper understandings of, say, ligand-protein complexes. We have developed a tool (Molecular Rift), which creates a virtual reality environment steered with hand movements. Oculus Rift, a head-mounted display, is used to create the virtual settings. The program is controlled by gesture-recognition, using the gaming sensor MS Kinect v2, eliminating the need for standard input devices. The Open Babel toolkit was integrated to provide access to powerful cheminformatics functions. Molecular Rift was developed with a focus on usability, including iterative test-group evaluations. We conclude with reflections on virtual reality's future capabilities in chemistry and education. Molecular Rift is open source and can be downloaded from GitHub.

Source memory that encoding was self-referential: the influence of stimulus characteristics.

Science.gov (United States)

Durbin, Kelly A; Mitchell, Karen J; Johnson, Marcia K

2017-10-01

Decades of research suggest that encoding information with respect to the self improves memory (self-reference effect, SRE) for items (item SRE). The current study focused on how processing information in reference to the self affects source memory for whether an item was self-referentially processed (a source SRE). Participants self-referentially or non-self-referentially encoded words (Experiment 1) or pictures (Experiment 2) that varied in valence (positive, negative, neutral). Relative to non-self-referential processing, self-referential processing enhanced item recognition for all stimulus types (an item SRE), but it only enhanced source memory for positive words (a source SRE). In fact, source memory for negative and neutral pictures was worse for items processed self-referentially than non-self-referentially. Together, the results suggest that item SRE and source SRE (e.g., remembering an item was encoded self-referentially) are not necessarily the same across stimulus types (e.g., words, pictures; positive, negative). While an item SRE may depend on the overall likelihood the item generates any association, the enhancing effects of self-referential processing on source memory for self-referential encoding may depend on how embedded a stimulus becomes in one's self-schema, and that depends, in part, on the stimulus' valence and format. Self-relevance ratings during encoding provide converging evidence for this interpretation.

Initial vibrational and rotational yields from subexcitation electrons in molecular hydrogen

International Nuclear Information System (INIS)

Douthat, D.A.

1987-01-01

As the energy of a single source electron injected into a molecular gas is degraded through collisions, initial products include secondary electrons, ions, and excited molecules. Electrons with kinetic energies less than the minimum required for excitation of the lowest electronic state are given the designation subexcitation electrons. These electrons are still capable of exciting vibrational and rotational states of molecular gases. In this calculation, the initial numbers of vibrational and rotational excitations (yields) produced as the subexcitation electrons undergo further energy degradation are determined for molecular hydrogen. The calculation requires a complete set of cross section data for numerical solution of the Boltzmann equation. The initial energy distribution of electrons is taken to be the subexcitation distribution which was determined previously. The initial yields are tabulated for gas temperatures from 50 K to 1500 K for a source electron with initial energy 10 keV. 26 references

Influence of nitrogen sources on production of βb-galactosidase by ...

African Journals Online (AJOL)

All the nitrogen sources, ammonium sulphate, corn steep liquor, diammonium phosphate, fish meal and urea showed significant results. However, higher values of enzyme activity of 168.0 and 371.15 IU/l/h, parent and mutant, respectively, was obtained from sample in which corn steep liquor was used as a nitrogen source ...

Photon acceleration-based radiation sources

International Nuclear Information System (INIS)

Hoffman, J. R.; Muggli, P.; Katsouleas, T.; Mori, W. B.; Joshi, C.

1999-01-01

The acceleration and deceleration of photons in a plasma provides the means for a series of new radiation sources. Previous work on a DC to AC Radiation Converter (DARC source) has shown variable acceleration of photons having zero frequency (i.e., an electrostatic field) to between 6 and 100 GHz (1-3). These sources all had poor guiding characteristics resulting in poor power coupling from the source to the load. Continuing research has identified a novel way to integrate the DARC source into a waveguide. The so called ''pin structure'' uses stainless steel pins inserted through the narrow side of an X band waveguide to form the electrostatic field pattern (k≠0, ω=0). The pins are spaced such that the absorption band resulting from this additional periodic structure is outside of the X band range (8-12 GHz), in which the normal waveguide characteristics are left unchanged. The power of this X band source is predicted theoretically to scale quadratically with the pin bias voltage as -800 W/(kV) 2 and have a pulse width of -1 ns. Cold tests and experimental results are presented. Applications for a high power, short pulse radiation source extends to the areas of landmine detection, improved radar resolution, and experimental investigations of molecular systems

Implications of recent research on microstructure modifications, through heat-related processing and trait alteration to bio-functions, molecular thermal stability and mobility, metabolic characteristics and nutrition in cool-climate cereal grains and other types of seeds with advanced molecular techniques.

Science.gov (United States)

Ying, Yuguang; Zhang, Huihua; Yu, Peiqiang

2018-02-16

The cutting-edge synchrotron radiation based and globar-sourced vibrational infrared microspectroscopy have recently been developed. These novel techniques are able to reveal structure features at cellular and molecular levels with the tested tissues being intact. However, to date, the advanced techniques are unfamiliar or unknown to food and feed scientists and have not been used to study the molecular structure changes in cool-climate cereal grain seeds and other types of bio-oil and bioenergy seeds. This article aims to provide some recent research in cool-climate cereal grains and other types of seeds on molecular structures and metabolic characteristics of carbohydrate and protein, and implication of microstructure modification through heat-related processing and trait alteration to bio-functions, molecular thermal stability and mobility, and nutrition with advanced molecular techniques- synchrotron radiation based and globar-sourced vibrational infrared microspectroscopy in the areas of (1) Inherent microstructure of cereal grain seeds; (2) The nutritional values of cereal grains; (3) Impact and modification of heat-related processing to cereal grain; (4) Conventional nutrition evaluation methodology; (5) Synchrotron radiation-based and globar-sourced vibrational (micro)-spectroscopy for molecular structure study and molecular thermal stability and mobility, and (6) Recent molecular spectroscopic technique applications in research on raw, traits altered and processed cool-climate cereal grains and other types of seeds. The information described in this article gives better insights of research progress and update in cool-climate cereal grains and other seeds with advanced molecular techniques.

Charge Transport Phenomena in Peptide Molecular Junctions

International Nuclear Information System (INIS)

Luchini, A.; Petricoin, E.F.; Geho, D.H.; Liotta, L.A.; Long, D.P.; Vaisman, I.I.

2008-01-01

Inelastic electron tunneling spectroscopy (IETS) is a valuable in situ spectroscopic analysis technique that provides a direct portrait of the electron transport properties of a molecular species. In the past, IETS has been applied to small molecules. Using self-assembled nano electronic junctions, IETS was performed for the first time on a large polypeptide protein peptide in the phosphorylated and native form, yielding interpretable spectra. A reproducible 10-fold shift of the I/V characteristics of the peptide was observed upon phosphorylation. Phosphorylation can be utilized as a site-specific modification to alter peptide structure and thereby influence electron transport in peptide molecular junctions. It is envisioned that kinases and phosphatases may be used to create tunable systems for molecular electronics applications, such as biosensors and memory devices.

A Precisely Assembled Carbon Source to Synthesize Fluorescent Carbon Quantum Dots for Sensing Probes and Bioimaging Agents.

Science.gov (United States)

Qiao, Yiqiang; Luo, Dan; Yu, Min; Zhang, Ting; Cao, Xuanping; Zhou, Yanheng; Liu, Yan

2018-02-09

A broad range of carbon sources have been used to fabricate varieties of carbon quantum dots (CQDs). However, the majority of these studies concern the influence of primary structures and chemical compositions of precursors on the CQDs; it is still unclear whether or not the superstructures of carbon sources have effects on the physiochemical properties of the synthetic CQDs. In this work, the concept of molecular assembly is first introduced into the design of a new carbon source. Compared with the tropocollagen molecules, the hierarchically assembled collagen scaffolds, as a new carbon source, immobilize functional groups of the precursors through hydrogen bonds, electrostatic attraction, and hydrophobic forces. Moreover, the accumulation of functional groups in collagen self-assembly further promotes the covalent bond formation in the obtained CQDs through a hydrothermal process. Both of these two chemical superiorities give rise to high quality CQDs with enhanced emission. The assembled collagen scaffold-based CQDs with heteroatom doping exhibit superior stability, and could be further applied as effective fluorescent probes for Fe 3+ detection and cellular cytosol imaging. These findings open a wealth of possibilities to explore more nanocarbons from precursors with assembled superstructures. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Study of characteristic X-ray source and its applications

International Nuclear Information System (INIS)

Li Fuquan

1994-11-01

The law of characteristic X-rays emitted by target element under the radiation of isotope source in a range of low energy is discussed. Both the way of improving the rate of γ-X conversion and the method to eliminate the influence of scatter rays are introduced. The influence of the variation of isotopes source, targets and the relative position of source-target to the output of X-rays is also discussed and then the conditions of improving signal-to-noise radio is presented. The X-ray source based on these results can produce different energy X-rays, and so can be broadly used on nuclear instruments and other fields as a low energy source. The thickness gauge, as one of the applications, has succeeded in thickness measuring of the different materials in large range, and it presents a new application field for characteristic X-ray source. (11 figs., 10 tabs.)

Molecular pathology and age estimation.

Science.gov (United States)

Meissner, Christoph; Ritz-Timme, Stefanie

2010-12-15

Over the course of our lifetime a stochastic process leads to gradual alterations of biomolecules on the molecular level, a process that is called ageing. Important changes are observed on the DNA-level as well as on the protein level and are the cause and/or consequence of our 'molecular clock', influenced by genetic as well as environmental parameters. These alterations on the molecular level may aid in forensic medicine to estimate the age of a living person, a dead body or even skeletal remains for identification purposes. Four such important alterations have become the focus of molecular age estimation in the forensic community over the last two decades. The age-dependent accumulation of the 4977bp deletion of mitochondrial DNA and the attrition of telomeres along with ageing are two important processes at the DNA-level. Among a variety of protein alterations, the racemisation of aspartic acid and advanced glycation endproducs have already been tested for forensic applications. At the moment the racemisation of aspartic acid represents the pinnacle of molecular age estimation for three reasons: an excellent standardization of sampling and methods, an evaluation of different variables in many published studies and highest accuracy of results. The three other mentioned alterations often lack standardized procedures, published data are sparse and often have the character of pilot studies. Nevertheless it is important to evaluate molecular methods for their suitability in forensic age estimation, because supplementary methods will help to extend and refine accuracy and reliability of such estimates. Copyright © 2010 Elsevier Ireland Ltd. All rights reserved.

Influence of different fibre sources on digestibility and nitrogen and energy balances in growing pigs

DEFF Research Database (Denmark)

Hansen, Michael Jørgen; Chwalibog, André; Tauson, Anne-Helene

2006-01-01

The present study was undertaken to investigate how three different fibre sources, sugar beet pulp, soya bean hulls and pectin residue, constituting 15% of diets for growing pigs, influenced daily body gain, feed conversion, apparent faecal digestibility and nitrogen and energy balances. Eight......) and energy were significantly lower for the fibre diets (OM: 0.81-0.85; energy: 0.78-0.83) compared to the control diet (OM: 0.88; energy: 0.86). The apparent faecal digestibility of crude protein (CP) was lower for the fibre diets (0.71-0.78) compared to the control diet (0.83), although it was only...... significantly lower for the sugar beet pulp and pectin residue diets. The pectin residue diet, which contained the highest amount of dietary fibre, lignin and insoluble non-starch polysaccharides, had the lowest digestibility of OM, CP and energy. There was a tendency (p = 0.07) for a diet effect on retained...

1982 bibliography of atomic and molecular processes

International Nuclear Information System (INIS)

Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.

1984-05-01

This annotated bibliography includes papers on atomic and molecular processes published during 1982. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory

Bibliography of atomic and molecular processes, 1983

International Nuclear Information System (INIS)

Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.

1984-10-01

This annotated bibliography includes papers on atomic and molecular processes published during 1983. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory

1985 bibliography of atomic and molecular processes

Energy Technology Data Exchange (ETDEWEB)

Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.; Griffin, P.M.; Havener, C.C.; Howald, A.M.; Kirkpatrick, M.I.; McDaniel, E.W.; Meyer, F.W.; Morgan, T.J. (comps.)

1986-06-01

This annotated bibliography includes papers on atomic and molecular processes published during 1985. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

1985 bibliography of atomic and molecular processes

International Nuclear Information System (INIS)

Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.

1986-06-01

This annotated bibliography includes papers on atomic and molecular processes published during 1985. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory

Bibliography of atomic and molecular processes, 1983

Energy Technology Data Exchange (ETDEWEB)

Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.; Gregory, D.C.; Kirkpatrick, M.I.; McDaniel, E.W.; McKnight, R.H.; Meyer, F.W.; Morgan, T.J.; Phaneuf, R.A. (comps.)

1984-10-01

This annotated bibliography includes papers on atomic and molecular processes published during 1983. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

1984 Bibliography of atomic and molecular processes

International Nuclear Information System (INIS)

Barnett, C.F.; Gilbody, H.B.; Gregory, D.C.

1985-04-01

This annotated bibliography includes papers on atomic and molecular processes published during 1984. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory

1982 bibliography of atomic and molecular processes

Energy Technology Data Exchange (ETDEWEB)

Barnett, C.F.; Crandall, D.H.; Gilbody, H.B.; Gregory, D.C.; Kirkpatrick, M.I.; McDaniel, E.W.; McKnight, R.H.; Meyer, F.W.; Morgan, T.J.; Phaneuf, R.A. (comps.)

1984-05-01

This annotated bibliography includes papers on atomic and molecular processes published during 1982. Sources include scientific journals, conference proceedings, and books. Each entry is designated by one or more of the 114 categories of atomic and molecular processes used by the Controlled Fusion Atomic Data Center, Oak Ridge National Laboratory to classify data. Also indicated is whether the work was experimental or theoretical, what energy range was covered, what reactants were investigated, and the country of origin of the first author. Following the bibliographical listing, the entries are indexed according to the categories and according to reactants within each subcategory.

Influence of source type and air exchange on variations of indoor radon concentration

International Nuclear Information System (INIS)

Arvela, H.; Winqvist, K.

1986-04-01

The model relates radon concentration to source strength and its variations, air exchange rate and meteorological factors. Two types of sources have been studied. The pressure difference dependent source is made up of radon transported with soil pore air and driven by pressure difference due to the stack effect. The constant source is made up of radon transported by diffusion from building materials or from soil. The air exchange rate depends exponentially on indoor-outdoor temperature difference and linearly on wind speed. These two inputs have been summed in quadrature. In a house with a constant source radon concentration decreases when the air exchange rate increases due to the increasing temperature difference, whereas the pressure difference dependent source causes an increasing concentration. This is due to the fact that the effect of the source strength increase is stronger than the decreasing effect of air exchange on concentration. The winter-summer concentration ratio depends on the combination of the two types of source. A pure pressure dependent source leads to the winter-summer ratio of 2-3.5 (winter -5 deg C, summer +15 deg C, wind speed 3 m/s). A strong contribution of a constant source is needed to cause a summer concentration higher than the winter concentration. The model is in agreement with the winter-summer concentration ratios measured. This ratio increases with the increasing winter concentration. The measured ratio was near 1.0 for houses with winter concentration of 200 Bq m''3 or less and near 2.0 with concentration of 1000 Bq m''3. In a house with a constant source, the diurnal maximum occurs in the afternoon, while in houses with a pressure difference dependent source the time of maximum is early in the morning

Influence of radioactive sources discretization in the Monte Carlo computational simulations of brachytherapy procedures: a case study on the procedures for treatment of prostate cancer

International Nuclear Information System (INIS)

Barbosa, Antonio Konrado de Santana; Vieira, Jose Wilson; Costa, Kleber Souza Silva; Lima, Fernando Roberto de Andrade

2011-01-01

Radiotherapy computational simulation procedures using Monte Carlo (MC) methods have shown to be increasingly important to the improvement of cancer fighting strategies. One of the biases in this practice is the discretization of the radioactive source in brachytherapy simulations, which often do not match with a real situation. This study had the aim to identify and to measure the influence of radioactive sources discretization in brachytherapy MC simulations when compared to those that do not present discretization, using prostate brachytherapy with Iodine-125 radionuclide as model. Simulations were carried out with 108 events with both types of sources to compare them using EGSnrc code associated to MASH phantom in orthostatic and supine positions with some anatomic adaptations. Significant alterations were found, especially regarding bladder, rectum and the prostate itself. It can be concluded that there is a need to discretized sources in brachytherapy simulations to ensure its representativeness. (author)

Application of Source-Sink Landscape Influence Values to Commuter Traffic: A Case Study of Xiamen Island