Role of structural relaxations and chemical substitutions on piezoelectric fields and potential lineup in GaN/Al junctions

Science.gov (United States)

Picozzi, S.; Profeta, G.; Continenza, A.; Massidda, S.; Freeman, A. J.

2002-04-01

First-principles full-potential linearized augmented plane wave calculations are performed to clarify the role of the interface geometry on piezoelectric fields and potential lineups in [0001] wurtzite and [111]-zincblende GaN/Al junctions. The electric field (polarity and magnitude) is found to be strongly affected by atomic relaxations in the interface region. A procedure is used to evaluate the Schottky-barrier height in the presence of electric fields, showing that their effect is relatively small (a few tenths of an eV). These calculations assess the rectifying behavior of the GaN/Al contact, in agreement with experimental values for the barrier. We disentangle chemical and structural effects on the relevant properties (such as the potential discontinuity and the electric field) by studying unrelaxed ideal nitride/metal systems. Using simple electronegativity arguments, we outline the leading mechanisms that define the values of the electric field and Schottky barrier in these ideal systems. Finally, the transitivity rule is proved to be well satisfied.

Exposure to Chemicals in Consumer Products: The Role of the Near-Field Environment

DEFF Research Database (Denmark)

Fantke, Peter; Ernstoff, Alexi; Huang, L.

2016-01-01

Humans can be exposed to chemicals in consumer products during product use and environmental releases with inhalation, ingestion, and dermal uptake as typical exposure routes. Nevertheless, chemical exposure modeling has traditionally focused on the far-field with near-field indoor models only...... recently gaining attention. Further, models that are mostly emissions-based, may not necessarily be applicable to all types of chemical release from consumer products. To address this gap, we (1) define a framework to simultaneously account for exposure to chemicals in the near- and far-field, (2......) determine chemical product concentrations for various functional use categories, (3) introduce a quantitative metric linking exposure to chemical mass in products, the Product Intake Fraction (PiF), and (4) demonstrate our framework for various consumer product categories. This framework lends itself...

Physical, chemical, and biological properties of radiocerium relevant to radiation protection guidelines

International Nuclear Information System (INIS)

Anon.

1978-01-01

Present knowledge of the relevant physical, chemical, and biological properties of radiocerium as a basis for establishing radiation protection guidelines is summarized. The first section of the report reviews the chemical and physical properties of radiocerium relative to the biological behavior of internally-deposited cerium and other lanthanides. The second section of the report gives the sources of radiocerium in the environment and the pathways to man. The third section of the report describes the metabolic fate of cerium in several mammalian species as a basis for predicting its metabolic fate in man. The fourth section of the report considers the biomedical effects of radiocerium in light of extensive animal experimentation. The last two sections of the report describe the history of radiation protection guidelines for radiocerium and summarize data required for evaluating the adequacy of current radiation protection guidelines. Each section begins with a summary of the most important findings that follow

Nonthermal plasmas around black holes, relevant collective modes, new configurations, and magnetic field amplification

Energy Technology Data Exchange (ETDEWEB)

Coppi, B., E-mail: coppi@mit.edu [Massachusetts Institute of Technology (United States)

2017-03-15

The radiation emission from Shining Black Holes is most frequently observed to have nonthermal features. It is therefore appropriate to consider relevant collective processes in plasmas surrounding black holes that contain high energy particles with nonthermal distributions in momentum space. A fluid description with significant temperature anisotropies is the simplest relevant approach. These anisotropies are shown to have a critical influence on: (a) the existence and characteristics of stationary plasma and field ring configurations, (b) the excitation of “thermo-gravitational modes” driven by temperature anisotropies and gradients that involve gravity and rotation, (c) the generation of magnetic fields over macroscopic scale distances, and (d) the transport of angular momentum.

Using Horizontal Wells for Chemical EOR: Field Cases

Directory of Open Access Journals (Sweden)

E. Delamaide

2017-09-01

Full Text Available Primary production of heavy oil in general only achieves a recovery of less than 10% OOIP. Waterflooding has been applied for a number of years in heavy oil pools and can yield much higher recovery but the efficiency of the process diminishes when viscosity is above a few hundreds cp with high water-cuts and the need to recycle significant volumes of water; in addition, significant quantities of oil are still left behind. To increase recovery beyond that, Enhanced Oil Recovery methods are needed. Thermal methods such as steam injection or Steam-Assisted Gravity Drainage (SAGD are not always applicable, in particular when the pay is thin and in that case chemical EOR can be an alternative. The two main chemical EOR processes are polymer and Alkali-Surfactant-Polymer (ASP flooding. The earlier records of field application of polymer injection in heavy oil fields date from the 1970’s however; the process had seen very few applications until recently. ASP in heavy oil has seen even fewer applications. A major specificity of chemical EOR in heavy oil is that the highly viscous oil bank is difficult to displace and that injectivity with vertical wells can be limited, particularly in thin reservoirs which are the prime target for chemical EOR. This situation has changed with the development of horizontal drilling and as a result, several chemical floods in heavy oil have been implemented in the past 10 years, using horizontal wells. The goal of this paper is to present some of the best documented field cases. The most successful and largest of these is the Pelican Lake polymer flood in Canada, operated by CNRL and Cenovus which is currently producing over 60,000 bbl/d. The Patos Marinza polymer flood by Bankers Petroleum in Albania and the Mooney project (polymer, ASP by BlackPearl (again in Canada are also worthy of discussion.

Chemical effects in the near-field

International Nuclear Information System (INIS)

Ewart, F.T.; Tasker, P.W.

1987-01-01

A research program is described which is designed to investigate the chemical conditions in the near-field of a concrete based repository and the behavior of the radiologically important nuclides under these conditions. The chemical conditions are determined by the corrosion of the iron components of the repository and by the soluble components of the concrete. Both of these have been investigated experimentally and models developed which have been validated by further experiment. The effect of these reactions on the repository pH and Eh, and how these develop in time and space have been modelled using a new coupled chemical equilibrium and transport code. The solubility of the important nuclides are being studied experimentally under these conditions, and under sensible variations. Results are reported for plutonium, americium, neptunium and lead; these results have been under to refine the thermodynamic data base used for the geochemical code PHREEQE. The sorption behavior of plutonium and americium, under the same conditions, have been studied, the sorption coefficients were found to be large and independent of the concrete formulation, particle size and solid liquid ratio

Model for screening-level assessment of near-field human exposure to neutral organic chemicals released indoors.

Science.gov (United States)

Zhang, Xianming; Arnot, Jon A; Wania, Frank

2014-10-21

Screening organic chemicals for hazard and risk to human health requires near-field human exposure models that can be readily parametrized with available data. The integration of a model of human exposure, uptake, and bioaccumulation into an indoor mass balance model provides a quantitative framework linking emissions in indoor environments with human intake rates (iRs), intake fractions (iFs) and steady-state concentrations in humans (C) through consideration of dermal permeation, inhalation, and nondietary ingestion exposure pathways. Parameterized based on representative indoor and adult human characteristics, the model is applied here to 40 chemicals of relevance in the context of human exposure assessment. Intake fractions and human concentrations (C(U)) calculated with the model based on a unit emission rate to air for these 40 chemicals span 2 and 5 orders of magnitude, respectively. Differences in priority ranking based on either iF or C(U) can be attributed to the absorption, biotransformation and elimination processes within the human body. The model is further applied to a large data set of hypothetical chemicals representative of many in-use chemicals to show how the dominant exposure pathways, iF and C(U) change as a function of chemical properties and to illustrate the capacity of the model for high-throughput screening. These simulations provide hypotheses for the combination of chemical properties that may result in high exposure and internal dose. The model is further exploited to highlight the role human contaminant uptake plays in the overall fate of certain chemicals indoors and consequently human exposure.

Characterizing the variability in chemical composition of flowback and produced waters - results from lab and field studies

Science.gov (United States)

Vieth-Hillebrand, Andrea; Wilke, Franziska D. H.; Schmid, Franziska E.; Zhu, Yaling; Lipińska, Olga; Konieczyńska, Monika

2017-04-01

The huge volumes and unknown composition of flowback and produced waters cause major public concerns about the environmental and social compatibility of hydraulic fracturing and the exploitation of gas from unconventional reservoirs. Flowback and produced waters contain not only residues of fracking additives but also chemical species that are dissolved from the target shales themselves. Shales are a heterogeneous mixture of minerals, organic matter, and formation water and little is actually understood about the fluid-rock interactions occurring during hydraulic fracturing of the shales and their effects on the chemical composition of flowback and produced water. To overcome this knowledge gap, interactions of different shales with different artificial stimulation fluids were studied in lab experiments under ambient and elevated temperature and pressure conditions. These lab experiments showed clearly that fluid-rock interactions change the chemical composition of the initial stimulation fluid and that geochemistry of the fractured shale is relevant for understanding flowback water composition. In addition, flowback water samples were taken after hydraulic fracturing of one horizontal well in Pomeranian region, Poland and investigated for their chemical composition. With this presentation, results from lab and field studies will be presented and compared to decipher possible controls on chemical compositions of flowback and produced water.

Enhanced Field Emission Studies on Niobium Surfaces Relevant to High Field Superconducting Radio-Frequency Devices

Energy Technology Data Exchange (ETDEWEB)

Wang, Tong [Virginia Polytechnic Inst. and State Univ. (Virginia Tech), Blacksburg, VA (United States)

2002-09-18

Enhanced field emission (EFE) presents the main impediment to higher acceleration gradients in superconducting niobium (Nb) radiofrequency cavities for particle accelerators. The strength, number and sources of EFE sites strongly depend on surface preparation and handling. The main objective of this thesis project is to systematically investigate the sources of EFE from Nb, to evaluate the best available surface preparation techniques with respect to resulting field emission, and to establish an optimized process to minimize or eliminate EFE. To achieve these goals, a scanning field emission microscope (SFEM) was designed and built as an extension to an existing commercial scanning electron microscope (SEM). In the SFEM chamber of ultra high vacuum, a sample is moved laterally in a raster pattern under a high voltage anode tip for EFE detection and localization. The sample is then transferred under vacuum to the SEM chamber equipped with an energy-dispersive x-ray spectrometer for individual emitting site characterization. Compared to other systems built for similar purposes, this apparatus has low cost and maintenance, high operational flexibility, considerably bigger scan area, as well as reliable performance. EFE sources from planar Nb have been studied after various surface preparation, including chemical etching and electropolishing, combined with ultrasonic or high-pressure water rinse. Emitters have been identified, analyzed and the preparation process has been examined and improved based on EFE results. As a result, field-emission-free or near field-emission-free surfaces at ~140 MV/m have been consistently achieved with the above techniques. Characterization on the remaining emitters leads to the conclusion that no evidence of intrinsic emitters, i.e., no fundamental electric field limit induced by EFE, has been observed up to ~140 MV/m. Chemically etched and electropolished Nb are compared and no significant difference is observed up to ~140 MV/m. To

Enhanced Field Emission Studies on Niobium Surfaces Relevant to High Field Superconducting Radio-Frequency Devices

International Nuclear Information System (INIS)

Tong Wang

2002-01-01

Enhanced field emission (EFE) presents the main impediment to higher acceleration gradients in superconducting niobium (Nb) radio frequency cavities for particle accelerators. The strength, number and sources of EFE sites strongly depend on surface preparation and handling. The main objective of this thesis project is to systematically investigate the sources of EFE from Nb, to evaluate the best available surface preparation techniques with respect to resulting field emission, and to establish an optimized process to minimize or eliminate EFE. To achieve these goals, a scanning field emission microscope (SFEM) was designed and built as an extension to an existing commercial scanning electron microscope (SEM). In the SFEM chamber of ultra high vacuum, a sample is moved laterally in a raster pattern under a high voltage anode tip for EFE detection and localization. The sample is then transferred under vacuum to the SEM chamber equipped with an energy-dispersive x-ray spectrometer for individual emitting site characterization. Compared to other systems built for similar purposes, this apparatus has low cost and maintenance, high operational flexibility, considerably bigger scan area, as well as reliable performance. EFE sources from planar Nb have been studied after various surface preparation, including chemical etching and electropolishing, combined with ultrasonic or high-pressure water rinse. Emitters have been identified, analyzed and the preparation process has been examined and improved based on EFE results. As a result, field-emission-free or near field-emission-free surfaces at ∼140 MV/m have been consistently achieved with the above techniques. Characterization on the remaining emitters leads to the conclusion that no evidence of intrinsic emitters, i.e., no fundamental electric field limit induced by EFE, has been observed up to ∼140 MV/m. Chemically etched and electropolished Nb are compared and no significant difference is observed up to ∼140 MV

Durable chemical sensors based on field-effect transistors

NARCIS (Netherlands)

Reinhoudt, David

1995-01-01

The design of durable chemical sensors based on field-effect transistors (FETs) is described. After modification of an ion-sensitive FET (ISFET) with a polysiloxane membrane matrix, it is possible to attach all electroactive components covalently. Preliminary results of measurements with a

Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Chemical engineering of nanomaterials. Energy- and resource-saving chemical-engineering processes and problems of their intensification. Processes and apparatuses of chemical engineering, chemical cybernetics. Ecological problems of chemical engineering and related fields

International Nuclear Information System (INIS)

Zakhodyaeva, Yu.A.; Belova, V.V.

2012-01-01

In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning chemical engineering of nanomaterials, energy- and resource-saving chemical-engineering processes, processes and apparatuses of chemical engineering, chemical cybernetics, ecological problems of chemical engineering and related fields. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

X-ray chemical analyzer for field applications

International Nuclear Information System (INIS)

Gamba, O.O.M.

1977-01-01

A self-supporting portable field multichannel x-ray chemical analyzer system is claimed. It comprises a lightweight, flexibly connected, remotely locatable, radioisotope-excited sensing probe utilizing a cryogenically-cooled solid state semi-conductor crystal detector for fast in situ non-destructive, qualitative and quantitative analysis of elements in solid, powder, liquid or slurried form, utilizing an x-ray energy dispersive spectrometry technique

Field sampling for monitoring, migration and defining the areal extent of chemical contamination

International Nuclear Information System (INIS)

Thomas, J.M.; Skalski, J.R.; Eberhardt, L.L.; Simmons, M.A.

1984-01-01

As part of two studies funded by the U.S. Nuclear Regulatory Commission and the USEPA, the authors have investigated field sampling strategies and compositing as a means of detecting spills or migration at commercial low-level radioactive and chemical waste disposal sites and bioassays for detecting contamination at chemical waste sites. Compositing (pooling samples) for detection is discussed first, followed by the development of a statistical test to determine whether any component of a composite exceeds a prescribed maximum acceptable level. Subsequently, the authors explore the question of optimal field sampling designs and present the features of a microcomputer program designed to show the difficulties in constructing efficient field designs and using compositing schemes. Finally, they propose the use of bioassays as an adjunct or replacement for chemical analysis as a means of detecting and defining the areal extent of chemical migration

Pollen Contaminated With Field-Relevant Levels of Cyhalothrin Affects Honey Bee Survival, Nutritional Physiology, and Pollen Consumption Behavior.

Science.gov (United States)

Dolezal, Adam G; Carrillo-Tripp, Jimena; Miller, W Allen; Bonning, Bryony C; Toth, Amy L

2016-02-01

Honey bees are exposed to a variety of environmental factors that impact their health, including nutritional stress, pathogens, and pesticides. In particular, there has been increasing evidence that sublethal exposure to pesticides can cause subtle, yet important effects on honey bee health and behavior. Here, we add to this body of knowledge by presenting data on bee-collected pollen containing sublethal levels of cyhalothrin, a pyrethroid insecticide, which, when fed to young honey bees, resulted in significant changes in lifespan, nutritional physiology,and behavior. For the first time, we show that when young, nest-aged bees are presented with pollen containing field-relevant levels of cyhalothrin, they reduce their consumption of contaminated pollen. This indicates that, at least for some chemicals, young bees are able to detect contamination in pollen and change their behavioral response, even if the contamination levels do not prevent foraging honey bees from collecting the contaminated pollen.

Magnetic field topology and chemical abundance distributions of the young, rapidly rotating, chemically peculiar star HR 5624

Science.gov (United States)

Kochukhov, O.; Silvester, J.; Bailey, J. D.; Landstreet, J. D.; Wade, G. A.

2017-09-01

Context. The young, rapidly rotating Bp star HR 5624 (HD 133880) shows an unusually strong non-sinusoidal variability of its longitudinal magnetic field. This behaviour was previously interpreted as the signature of an exceptionally strong, quadrupole-dominated surface magnetic field geometry. Aims: We studied the magnetic field structure and chemical abundance distributions of HR 5624 with the aim to verify the unusual quadrupolar nature of its magnetic field and to investigate correlations between the field topology and chemical spots. Methods: We analysed high-resolution, time series Stokes parameter spectra of HR 5624 with the help of a magnetic Doppler imaging inversion code based on detailed polarised radiative transfer modelling of the line profiles. Results: We refined the stellar parameters, revised the rotational period, and obtained new longitudinal magnetic field measurements. Our magnetic Doppler inversions reveal that the field structure of HR 5624 is considerably simpler and the field strength is much lower than proposed by previous studies. We find a maximum local field strength of 12 kG and a mean field strength of 4 kG, which is about a factor of three weaker than predicted by quadrupolar field models. Our model implies that overall large-scale field topology of HR 5624 is better described as a distorted, asymmetric dipole rather than an axisymmetric quadrupole. The chemical abundance maps of Mg, Si, Ti, Cr, Fe, and Nd obtained in our study are characterised by large-scale, high-contrast abundance patterns. These structures correlate weakly with the magnetic field geometry and, in particular, show no distinct element concentrations in the horizontal field regions predicted by theoretical atomic diffusion calculations. Conclusions: We conclude that the surface magnetic field topology of HR 5624 is not as unusual as previously proposed. Considering these results together with other recent magnetic mapping analyses of early-type stars suggests that

/sup 1/H-NMR chemical shift imaging suitable for low field systems

Energy Technology Data Exchange (ETDEWEB)

Yamamoto, Etsuji; Onodera, Takashi; Shiono, Hidemi; Kohno, Hideki

1986-12-01

An echo-time encoding proton NMR chemical shift imaging proposed by Dixon is extended to be applicable to low filed systems. The method utilizes the small phase angle between magnetic vectors of water and lipid protons to decrease the signal decays with spin-spin relaxation. The inevitable phase error caused by the static field inhomogeneity is corrected by using phase images of phantom measured under the same conditions as the actual measurements. The experiments were carried out using CuSO/sub 4/ doped water and vegetable oil at 0.5 T. Two chemical shift images could be clearly resolved with only one scan when the field inhomogeneity was larger than the chemical shift difference.

Chemical, Biological, and Explosive Sensors for Field Measurements

International Nuclear Information System (INIS)

Kyle, Kevin; Manard, Manuel; Weeks, Stephan

2009-01-01

Special Technologies Laboratory (STL) is developing handheld chemical, biological, and explosive (CBE) detection systems and sensor motes for wireless networked field operations. The CBE sensors are capable of detecting and identifying multiple targeted toxic industrial chemicals (TICs) and high-explosive vapor components. The CBE devices are based on differential mobility spectrometry (DMS) coupled with fast gas chromatography (GC) or mass spectrometry. The systems all include the concepts of: (1) Direct air/particulate 'smart' sampling; (2) Selective, continuous real-time (∼1 sec) alert monitoring using DMS; and (3) Highly selective, rapid dual technology separation/verification analysis The biosensor technology is based on Raman aerosol particle flow cytometry for target detection and identification. Monitoring and identifying trace level chemical vapors directly from ambient air will allow First Responders to quickly adapt situational response strategies and personal protective equipment needs to the specific response scenario being encountered. First Responders require great confidence in the measurements and ability of a given system to detect CBE below threshold levels without interferences. The concept of determining the background matrix in near real-time to allow subsequent automated field-programmable method selection and cueing of high-value assets in a wide range of environs will be presented. This provides CBE information for decisions prior to First Responders entering the response site or sending a portable mobile unit for a remote site survey of the hazards. The focus is on real-time information needed by those responsible for emergency response and national security

The chemical link Brazil/Portugal. Abstracts of the 23. annual meeting of the Brazilian Chemical Society. v. 3

International Nuclear Information System (INIS)

2000-01-01

This volume 3 is part of the 23. annual meeting of the Brazilian Chemical Society, and contains subjects about new technologies in the field of relevance for nuclear interest, including environmental aspects, analytical chemistry and electrochemistry. The chemistry of elements of nuclear interest has been presented. Studies about materials, as alloys, composites, ceramics, and other materials, including their preparation, physical-chemical properties, structure studies, if they are associated to the nuclear area, has been comprehended

Conceptual DFT: the chemical relevance of higher response functions.

Science.gov (United States)

Geerlings, P; De Proft, F

2008-06-07

.g. on the local and global polarizability. Its derivatives may govern the influence of charge on the polarizability, the R-analogues being the nuclear Fukui function and the quadratic and cubic force constants. Although some of the higher order derivatives may be difficult to evaluate a comparison with the energy expansion used in spectroscopy in terms of nuclear displacements, nuclear magnetic moments, electric and magnetic fields leads to the conjecture that, certainly cross terms may contain new, intricate information for understanding chemical reactivity.

Chemical cues mediate species recognition in field crickets

Directory of Open Access Journals (Sweden)

Frances eTyler

2015-05-01

Full Text Available Cuticular hydrocarbons (CHCs are important in mate choice in many insects, and may be used for species recognition if CHC profiles differ between potentially hybridizing species. In the sibling field cricket species Gryllus campestris and G. bimaculatus, females of G. bimaculatus are tolerant towards G. campestris males and can mate with them. However, G. campestris females are highly aggressive towards heterospecific G. bimaculatus males, and matings between them never happen. We examined whether cricket females might use CHCs to determine the species identity of their potential mates. We firstly analyzed the cuticular chemical profile by gas chromatography and mass spectrometry to assess the potential of CHCs to be used for species recognition in these crickets. We then manipulated females’ ability to detect chemical cues by carrying out chemical ablation of the antennae, and measured changes in aggressive responses to heterospecific males. We show that there are significant interspecies differences in CHC expression for both sexes, and that females with chemically ablated antennae reduce aggressive behavior towards heterospecific males. Our findings support the prediction that cuticular semiochemicals can play a key role in reproductive isolation between closely related insect species.

The Intestinal Microbiome in Infectious Diseases: The Clinical Relevance of a Rapidly Emerging Field

NARCIS (Netherlands)

Harris, Vanessa C.; Haak, Bastiaan W.; Boele van Hensbroek, Michaël; Wiersinga, Willem J.

2017-01-01

The field of infectious disease is undergoing a paradigm shift as the intestinal microbiome is becoming understood. The aim of this review is to inform infectious disease physicians of the potential relevance of the intestinal microbiome to their practice. We searched Medline using both index and

Hydrogeologic and chemical data for the O-Field area, Aberdeen Proving Ground, Maryland

International Nuclear Information System (INIS)

Nemoff, P.R.; Vroblesky, D.A.

1989-01-01

O-Field, located at the Edgewood area of Aberdeen Proving Ground, Maryland, was periodically used for disposal of munitions, waste chemicals, and chemical-warfare agents from World War II through the 1950's. This report includes various physical, geologic, chemical, and hydrologic data obtained from well-core, groundwater, surface water, and bottom-sediment sampling sites at and near the O-Field disposal area. The data are presented in tables and hydrographs. Three site-location maps are also included. Well-core data include lithologic logs for 11 well-cluster sites, grain-size distributions, various chemical characteristics, and confining unit characteristics. Groundwater data include groundwater chemistry, method blanks for volatile organic carbon, available data on volatile and base/neutral organics, and compilation of corresponding method blanks, chemical-warfare agents, explosive-related products, radionuclides, herbicides, and groundwater levels. Surface-water data include field-measured characteristics; concentrations of various inorganic constituents including arsenic; selected organic constituents with method blanks; detection limits of organics; and a compilation of information on corresponding acids, volatiles, and semivolatiles; and method blanks corresponding to acids, volatiles, and semivolatiles. A set of 15 water-level hydrographs for the period March 1986 through September 1987 also is included in the report. 3 refs., 18 figs., 24 tabs

Dissipative charged fluid in a magnetic field

Energy Technology Data Exchange (ETDEWEB)

Abbasi, Navid; Davody, Ali, E-mail: davody.phy@gmail.com

2016-05-10

We study the collective excitations in a dissipative charged fluid at zero chemical potential when an external magnetic field is present. While in the absence of magnetic field, four collective excitations appear in the fluid, we find five hydrodynamic modes here. This implies that the magnetic field splits the degeneracy between the transverse shear modes. Using linear response theory, we then compute the retarded response functions. In particular, it turns out that the correlation between charge and the energy fluctuations will no longer vanish, even at zero chemical potential. By use of the response functions, we also derive the relevant Kubo formulas for the transport coefficients.

Advances in chemical engineering in nuclear and process industries

Energy Technology Data Exchange (ETDEWEB)

NONE

1994-06-01

Symposium on Advances in Chemical Engineering in Nuclear and Process Industries dealt with a wide spectrum of areas encompassing various industries such as nuclear, fertilizer, petrochemical, refinery and cement. The topics covered in the symposium dealt with the advancements in the existing fields of science and technologies as well as in some of the emerging technologies such as membrane technology, bio-chemical and photo-chemical engineering etc. with a special emphasis on nuclear related aspects. Papers relevant to INIS are indexed separately.

Advances in chemical engineering in nuclear and process industries

International Nuclear Information System (INIS)

1994-06-01

Symposium on Advances in Chemical Engineering in Nuclear and Process Industries dealt with a wide spectrum of areas encompassing various industries such as nuclear, fertilizer, petrochemical, refinery and cement. The topics covered in the symposium dealt with the advancements in the existing fields of science and technologies as well as in some of the emerging technologies such as membrane technology, bio-chemical and photo-chemical engineering etc. with a special emphasis on nuclear related aspects. Papers relevant to INIS are indexed separately

THE USE OF CHEMICALS IN THE FIELD OF FARM ANIMAL HEALTH (NUTRITION, ENTOMOLOGY, PATHOLOGY). AGRICULTURAL CHEMICALS TECHNOLOGY, NUMBER 7.

Science.gov (United States)

Ohio State Univ., Columbus. Center for Vocational and Technical Education.

DEVELOPED BY A NATIONAL TASK FORCE ON THE BASIS OF STATE STUDIES, THIS MODULE IS ONE OF A SERIES DESIGNED TO ASSIST TEACHERS IN PREPARING POST-SECONDARY STUDENTS FOR AGRICULTURAL CHEMICAL OCCUPATIONS. THE SPECIFIC OBJECTIVE OF THIS MODULE IS TO PREPARE TECHNICIANS IN THE FIELD OF THE USE OF CHEMICALS FOR ANIMAL HEALTH. SECTIONS INCLUDE -- (1)…

Low Level Chemical Toxicity: Relevance to Chemical Agent Defense

Science.gov (United States)

2005-07-01

or confirm a diagnosis of chemical sensitivity and suggest novel approaches in managing this malady. Project 4: Studies of gene expression...Lindberg I, Ugleholdt R, Holst J & Steiner DF 2002b Disruption of PC1/3 expression in mice causes dwarfism and multiple neuroendocrine peptide processing...2004;1:32- 34. [10] Diederich S,Eckmanns,T,Exner,P,Al-Saadi,N,Bahr,V,Oelkers,W. Differential diagnosis of polyuric/polydipsic syndromes with the aid

Near-field photochemical and radiation-induced chemical fabrication of nanopatterns of a self-assembled silane monolayer

Directory of Open Access Journals (Sweden)

Ulrich C. Fischer

2014-09-01

Full Text Available A general concept for parallel near-field photochemical and radiation-induced chemical processes for the fabrication of nanopatterns of a self-assembled monolayer (SAM of (3-aminopropyltriethoxysilane (APTES is explored with three different processes: 1 a near-field photochemical process by photochemical bleaching of a monomolecular layer of dye molecules chemically bound to an APTES SAM, 2 a chemical process induced by oxygen plasma etching as well as 3 a combined near-field UV-photochemical and ozone-induced chemical process, which is applied directly to an APTES SAM. All approaches employ a sandwich configuration of the surface-supported SAM, and a lithographic mask in form of gold nanostructures fabricated through colloidal sphere lithography (CL, which is either exposed to visible light, oxygen plasma or an UV–ozone atmosphere. The gold mask has the function to inhibit the photochemical reactions by highly localized near-field interactions between metal mask and SAM and to inhibit the radiation-induced chemical reactions by casting a highly localized shadow. The removal of the gold mask reveals the SAM nanopattern.

On transient electric fields observed in chemical release experiments by rockets

International Nuclear Information System (INIS)

Marklund, G.; Brenning, N.; Holmgren, G.; Haerendel, G.

1986-06-01

As a follow-up to the successful chemical release experiment Trigger in 1977, the TOR (Trigger Optimized Repetition) rocket was launched from Esrange on Oct. 24, 1984. Like in the Trigger experiment a large amplitude electric field pulse of 200 mV/m was detected shortly after the explosion. The central part of the pulse was found to be clearly correlated with an intense layer of swept up ambient particles behind a propagating shock-front. The field was directed towards the centre of the expanding ionized cloud, which is indicative of a polarisation electric field source. Expressions for this radial polarisation field and the much weaker azimuthal induced electric field are derived from a simple cylindrical model for the field and the expanding neutral cloud. Time profiles of the radial electric field are shown to be in good agreement with observations. (authors)

High resolution studies of the effects of magnetic fields on chemical reactions

OpenAIRE

Hamilton, C. A.; Hewitt, J. P.; McLauchlan, Keith A.; Steiner, Ulrich

1988-01-01

A simple and inexpensive experiment is described which detects magnetic field effects on chemical reactions with high signal-to-noise ratio and high resolution. It consists in applying a small modulation field to the sample, whilst the main field it experiences is varied, with optical detection at the modulation frequency. It consequently measures the derivative of the normal MARY spectrum. It is shown by theoretical analysis that when using this method it is better to monitor reaction interm...

Field experience with KWU SG chemical cleaning process

International Nuclear Information System (INIS)

Odar, S.

1989-01-01

The ingress of corrosion products into PWR steam generators (SG's) their deposition and the subsequent concentration of salt impurities can induce a variety of mechanisms for corrosion attack on SG tubing. Already, some plants have had to replace their steam generators due to severe corrosion damage and others are seriously considering the same costly action in the near future. One of the most effective ways to counteract corrosion mechanisms and thus to reduce the likelihood of SG replacement becoming necessary is to clean the SG's and to keep them clean. For many years, the industry has been involved in developing different types of cleaning techniques. Among these, chemical cleaning has been shown to be especially effective. In this article, the KWU chemical cleaning process, for which there is considerable application experience, is described. The results of field applications will be presented together with material compatibility data and information on cleaning effectiveness. (author)

The effects of a stress field and chemical diffusion on electronic behaviour in InAs/GaAs quantum dots

International Nuclear Information System (INIS)

Zhang Xu; Wang Chongyu

2006-01-01

The effects of a stress field and chemical diffusion on electronic behaviour in self-assembled InAs/GaAs quantum dots (QD) are investigated by using first-principle calculations. We find that a potential well appears in a QD without a lattice misfit and chemical diffusion, and both stress field and Ga chemical diffusion can induce the formation of a potential barrier, which strongly affects the electronic behaviour within the QD. The stress field can localize electrons to the base of the QD. And associated with Ga diffusion, the stress field will induce an inverted electronic alignment. The electronic behaviour in the QD without a stress field does not present the confined or localized characteristics caused by a lattice misfit, atomic size and Ga diffusion. This study provides useful information for modulating electronic behaviour by introducing a stress field and chemical diffusion

Transfer of radioactive and chemical pollutants into irrigated rice fields

International Nuclear Information System (INIS)

Myttenaere, C.; Mousny, J.-M.; Dabin, P.; Bittel, R.

1975-01-01

In a general study on the consequences of radioactive and chemical releases in continental waters, flooded rice fields must be considered as a very important ecosystem due to the very large quantities of water used. In order to approach as much as possible to the natural conditions (irrigated rice fields of Northern Italy) ''mini-rice fields'' were built and local practices were respected. The behavior of activation and fission products ( 137 Cs, 60 Co, 65 Zn, 51 Cr...) and heavy metals pollutants (Cd, Cr, Sn) was studied and the transfer from water to soil and plant was followed. Concentration factors were calculated for the different organs of the plant and the impact of rice ingested to the dose delivered to man was evaluated [fr

The Alexandria library, a quantum-chemical database of molecular properties for force field development.

Science.gov (United States)

Ghahremanpour, Mohammad M; van Maaren, Paul J; van der Spoel, David

2018-04-10

Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

The Alexandria library, a quantum-chemical database of molecular properties for force field development

Science.gov (United States)

Ghahremanpour, Mohammad M.; van Maaren, Paul J.; van der Spoel, David

2018-04-01

Data quality as well as library size are crucial issues for force field development. In order to predict molecular properties in a large chemical space, the foundation to build force fields on needs to encompass a large variety of chemical compounds. The tabulated molecular physicochemical properties also need to be accurate. Due to the limited transparency in data used for development of existing force fields it is hard to establish data quality and reusability is low. This paper presents the Alexandria library as an open and freely accessible database of optimized molecular geometries, frequencies, electrostatic moments up to the hexadecupole, electrostatic potential, polarizabilities, and thermochemistry, obtained from quantum chemistry calculations for 2704 compounds. Values are tabulated and where available compared to experimental data. This library can assist systematic development and training of empirical force fields for a broad range of molecules.

Monitoring chemical reactions by low-field benchtop NMR at 45 MHz: pros and cons.

Science.gov (United States)

Silva Elipe, Maria Victoria; Milburn, Robert R

2016-06-01

Monitoring chemical reactions is the key to controlling chemical processes where NMR can provide support. High-field NMR gives detailed structural information on chemical compounds and reactions; however, it is expensive and complex to operate. Conversely, low-field NMR instruments are simple and relatively inexpensive alternatives. While low-field NMR does not provide the detailed information as the high-field instruments as a result of their smaller chemical shift dispersion and the complex secondary coupling, it remains of practical value as a process analytical technology (PAT) tool and is complimentary to other established methods, such as ReactIR and Raman spectroscopy. We have tested a picoSpin-45 (currently under ThermoFisher Scientific) benchtop NMR instrument to monitor three types of reactions by 1D (1) H NMR: a Fischer esterification, a Suzuki cross-coupling, and the formation of an oxime. The Fischer esterification is a relatively simple reaction run at high concentration and served as proof of concept. The Suzuki coupling is an example of a more complex, commonly used reaction involving overlapping signals. Finally, the oxime formation involved a reaction in two phases that cannot be monitored by other PAT tools. Here, we discuss the pros and cons of monitoring these reactions at a low-field of 45 MHz by 1D (1) H NMR. Copyright © 2015 John Wiley & Sons, Ltd. Copyright © 2015 John Wiley & Sons, Ltd.

Relevance: An Interdisciplinary and Information Science Perspective

Directory of Open Access Journals (Sweden)

Howard Greisdorf

2000-01-01

Full Text Available Although relevance has represented a key concept in the field of information science for evaluating information retrieval effectiveness, the broader context established by interdisciplinary frameworks could provide greater depth and breadth to on-going research in the field. This work provides an overview of the nature of relevance in the field of information science with a cursory view of how cross-disciplinary approaches to relevance could represent avenues for further investigation into the evaluative characteristics of relevance as a means for enhanced understanding of human information behavior.

Chemically doped three-dimensional porous graphene monoliths for high-performance flexible field emitters.

Science.gov (United States)

Kim, Ho Young; Jeong, Sooyeon; Jeong, Seung Yol; Baeg, Kang-Jun; Han, Joong Tark; Jeong, Mun Seok; Lee, Geon-Woong; Jeong, Hee Jin

2015-03-12

Despite the recent progress in the fabrication of field emitters based on graphene nanosheets, their morphological and electrical properties, which affect their degree of field enhancement as well as the electron tunnelling barrier height, should be controlled to allow for better field-emission properties. Here we report a method that allows the synthesis of graphene-based emitters with a high field-enhancement factor and a low work function. The method involves forming monolithic three-dimensional (3D) graphene structures by freeze-drying of a highly concentrated graphene paste and subsequent work-function engineering by chemical doping. Graphene structures with vertically aligned edges were successfully fabricated by the freeze-drying process. Furthermore, their number density could be controlled by varying the composition of the graphene paste. Al- and Au-doped 3D graphene emitters were fabricated by introducing the corresponding dopant solutions into the graphene sheets. The resulting field-emission characteristics of the resulting emitters are discussed. The synthesized 3D graphene emitters were highly flexible, maintaining their field-emission properties even when bent at large angles. This is attributed to the high crystallinity and emitter density and good chemical stability of the 3D graphene emitters, as well as to the strong interactions between the 3D graphene emitters and the substrate.

Magnetic field of massive chemically peculiar stars in the Orion OB1 association

Science.gov (United States)

Romanyuk, I. I.; Semenko, E. A.; Kudryavtsev, D. O.; Yakunin, I. A.

2018-01-01

Spectropolarimetric observations of 55 chemically peculiar stars in the Orion OB1 association were obtained at the 6 m telescope of the Russian Academy of Sciences with the aim of searching for the presence of stellar magnetic fields. We found 8 new magnetic stars in addition to 20 previously known objects. The frequency of chemically peculiar A and B-type stars among normal A and B-type stars and the frequency of magnetic stars among all chemically peculiar stars decreases with age in the Orion OB1 association.

Evolution of near-field physico-chemical characteristics of the SFR repository

Energy Technology Data Exchange (ETDEWEB)

Savage, D [Quintessa Ltd., Nottingham (United Kingdom); Stenhouse, M [Monitor Scientific LLC, Denver, CO (United States); Benbow, S [Quintessa Ltd., Henley-on-Thames (United Kingdom)

2000-08-01

The evaluation of the post-closure performance of the SFR repository needs to consider time dependent evolution of the repository environment. Time-dependent reaction of near-field barriers (cement, steel, bentonite) with saturating groundwater will lead to the development of hyper alkaline repository pore fluids, chemically reducing conditions, and ultimately, the generation of gas through anaerobic corrosion of metals. Cement and concrete will act as chemical conditioning agents to minimise metal corrosion and ultimately, maximise radioelement sorption. The chemical and physical evolution of cement and concrete through reaction with ambient groundwater will thus affect sorption processes through changes in pH, complexing ligands, and solid surface properties. It is desirable that these changes be incorporated into the safety assessment. The sorption behaviour of radionuclides in cementitious systems has been reviewed in detail. The available evidence from experimental work carried out on the influence of organic materials on the sorption behaviour of radionuclides, indicates that most organic degradation products will not affect sorption significantly at the concentrations expected in a cementitious repository. The notable exception to this conclusion involves the degradation products of cellulose and, in particular, polycarboxylic acids represented by iso-saccharinic acid (ISA). Results using ISA indicate a significant reduction in sorption of Pu, by several orders of magnitude, for an ISA concentration of about 10{sup -3} M. More recent data indicate that the negative effect is not as great, though still significant. Therefore, some scoping calculations are advisable to determine how realistic an ISA concentration of about 10{sup -3} M would be for the SFR repository and to estimate concentrations of other relevant organic compounds, in particular EDTA, for comparison. Scoping calculations relevant to the longevity of hyper alkaline pore fluid conditions at SFR

A field survey of chemicals and biological products used in shrimp farming

International Nuclear Information System (INIS)

Graeslund, S.; Holmstroem, K.; Wahlstroem, A.

2003-01-01

This study documented the use of chemicals and biological products in marine and brackish water shrimp farming in Thailand, the world's top producer of farmed shrimp. Interviews were conducted with 76 shrimp farmers in three major shrimp producing regions, the eastern Gulf coast, the southern Gulf coast and the Andaman coast area. Farmers in the study used on average 13 different chemicals and biological products. The most commonly used products were soil and water treatment products, pesticides and disinfectants. Farmers in the southern Gulf coast area used a larger number of products than farmers in the other two areas. In the study, the use of more than 290 different chemicals and biological products was documented. Many of the pesticides, disinfectants and antibiotics used by the farmers could have negative effects on the cultured shrimps, cause a risk for food safety, occupational health, and/or have negative effects on adjacent ecosystems. Manufacturers and retailers of the products often neglected to provide farmers with necessary information regarding active ingredient and relevant instructions for safe and efficient use

Evolution of near-field physico-chemical characteristics of the SFR repository

International Nuclear Information System (INIS)

Savage, D.; Stenhouse, M.; Benbow, S.

2000-08-01

The evaluation of the post-closure performance of the SFR repository needs to consider time dependent evolution of the repository environment. Time-dependent reaction of near-field barriers (cement, steel, bentonite) with saturating groundwater will lead to the development of hyper alkaline repository pore fluids, chemically reducing conditions, and ultimately, the generation of gas through anaerobic corrosion of metals. Cement and concrete will act as chemical conditioning agents to minimise metal corrosion and ultimately, maximise radioelement sorption. The chemical and physical evolution of cement and concrete through reaction with ambient groundwater will thus affect sorption processes through changes in pH, complexing ligands, and solid surface properties. It is desirable that these changes be incorporated into the safety assessment. The sorption behaviour of radionuclides in cementitious systems has been reviewed in detail. The available evidence from experimental work carried out on the influence of organic materials on the sorption behaviour of radionuclides, indicates that most organic degradation products will not affect sorption significantly at the concentrations expected in a cementitious repository. The notable exception to this conclusion involves the degradation products of cellulose and, in particular, polycarboxylic acids represented by iso-saccharinic acid (ISA). Results using ISA indicate a significant reduction in sorption of Pu, by several orders of magnitude, for an ISA concentration of about 10 -3 M. More recent data indicate that the negative effect is not as great, though still significant. Therefore, some scoping calculations are advisable to determine how realistic an ISA concentration of about 10 -3 M would be for the SFR repository and to estimate concentrations of other relevant organic compounds, in particular EDTA, for comparison. Scoping calculations relevant to the longevity of hyper alkaline pore fluid conditions at SFR have been

Influence of external magnetic field, finite-size effects and chemical potential on the phase transition of a complex scalar field

Energy Technology Data Exchange (ETDEWEB)

Cavalcanti, E.; Castro, E.; Malbouisson, A.P.C. [Centro Brasileiro de Pesquisas Fisicas/MCTI, Rio de Janeiro, RJ (Brazil); Linhares, C.A. [Universidade do Estado do Rio de Janeiro, Instituto de Fisica, Rio de Janeiro, RJ (Brazil)

2017-10-15

A scalar model is built, as a quantum field theory defined on a toroidal topology, to describe a phase transition in films subjected to periodic boundary conditions and influenced by an external and constant magnetic field. Criticality is studied and the relations between the critical temperature, the film thickness, the magnetic field strength and the chemical potential are investigated. Since the model describes a second-order phase transition a comparison with the Ginzburg-Landau theory is made. (orig.)

Diagnostic relevance of high field MRI in clinical neuroradiology: the advantages and challenges of driving a sports car

International Nuclear Information System (INIS)

Wattjes, Mike P.; Barkhof, Frederik

2012-01-01

High field MRI operating at 3 T is increasingly being used in the field of neuroradiology on the grounds that higher magnetic field strength should theoretically lead to a higher diagnostic accuracy in the diagnosis of several disease entities. This Editorial discusses the exhaustive review by Wardlaw and colleagues of research comparing 3 T MRI with 1.5 T MRI in the field of neuroradiology. Interestingly, the authors found no convincing evidence of improved image quality, diagnostic accuracy, or reduced total examination times using 3 T MRI instead of 1.5 T MRI. These findings are highly relevant since a new generation of high field MRI systems operating at 7 T has recently been introduced. (orig.)

Studies of physical-chemical properties of phosphorites of the northwest part of the Dzhanatas field

Energy Technology Data Exchange (ETDEWEB)

Tyumebayev, O T; Bashayeva, L A; Galuzo, V N; Koldobskaya, K V; Ospanov, Ye S; Zhantasov, K T

1983-01-01

The Karatau basin includes dozens of phosphorite fields which are distinguished both in chemical composition and in mineralogy. The main factors which influence the technological properties of the ores are chemical-mineralogical composition and structural-textural features of the phosphorites. Changes are examined in the physical chemical properties during thermal treatment of phosphorite of the Dzhanats field, northwest section. It was established as a result of the studies that the sample of phosphorite of Dzhanatas of the northwest section contains 3 main components: phosphate substance, silica and carbonates. Of the mineral admixtures, oxides and hydroxides of iron, alumosilicates, mica and organic substance are present. In the dominance of a certain mineral, the northwest section belongs to the silicon-phosphatecarbonate type.

Evaluation of a scattered radiation field in a cluster relevant for multiple-energy X-ray holography

International Nuclear Information System (INIS)

Fonda, L.

1996-09-01

We analyze theoretically a recent proposal of utilizing synchrotron radiation to generate an electromagnetic scattering field at a specific target atom inside a material sample. The direct wave coming from a wiggler interferes there with the waves scattered by the surrounding atoms. The suggestion is relevant for obtaining atomic holographic images. (author). 23 refs, 2 figs

Unsteady Bioconvection Squeezing Flow in a Horizontal Channel with Chemical Reaction and Magnetic Field Effects

Directory of Open Access Journals (Sweden)

Qingkai Zhao

2017-01-01

Full Text Available The time-dependent mixed bioconvection flow of an electrically conducting fluid between two infinite parallel plates in the presence of a magnetic field and a first-order chemical reaction is investigated. The fully coupled nonlinear systems describing the total mass, momentum, thermal energy, mass diffusion, and microorganisms equations are reduced to a set of ordinary differential equations via a set of new similarity transformations. The detailed analysis illustrating the influences of various physical parameters such as the magnetic, squeezing, and chemical reaction parameters and the Schmidt and Prandtl numbers on the distributions of temperature and microorganisms as well as the skin friction and the Nusselt number is presented. The conclusion is drawn that the flow field, temperature, and chemical reaction profiles are significantly influenced by magnetic parameter, heat generation/absorption parameter, and chemical parameter. Some examples of potential applications of such bioconvection could be found in pharmaceutical industry, microfluidic devices, microbial enhanced oil recovery, modeling oil, and gas-bearing sedimentary basins.

Connecting Organic Aerosol Climate-Relevant Properties to Chemical Mechanisms of Sources and Processing

Energy Technology Data Exchange (ETDEWEB)

Thornton, Joel [Univ. of Washington, Seattle, WA (United States)

2015-01-26

The research conducted on this project aimed to improve our understanding of secondary organic aerosol (SOA) formation in the atmosphere, and how the properties of the SOA impact climate through its size, phase state, and optical properties. The goal of this project was to demonstrate that the use of molecular composition information to mechanistically connect source apportionment and climate properties can improve the physical basis for simulation of SOA formation and properties in climate models. The research involved developing and improving methods to provide online measurements of the molecular composition of SOA under atmospherically relevant conditions and to apply this technology to controlled simulation chamber experiments and field measurements. The science we have completed with the methodology will impact the simulation of aerosol particles in climate models.

Reactor-relevant quiescent H-mode operation using torque from non-axisymmetric, non-resonant magnetic fields

International Nuclear Information System (INIS)

Burrell, K. H.; Garofalo, A. M; Osborne, T. H.; Schaffer, M. J.; Snyder, P. B.; Solomon, W. M.; Park, J.-K.; Fenstermacher, M. E.

2012-01-01

Results from recent experiments demonstrate that quiescent H-mode (QH-mode) sustained by magnetic torque from non-axisymmetric magnetic fields is a promising operating mode for future burning plasmas. Using magnetic torque from n=3 fields to replace counter-I p torque from neutral beam injection (NBI), we have achieved long duration, counter-rotating QH-mode operation with NBI torque ranging from counter-I p to up to co-I p values of 1-1.3 Nm. This co-I p torque is 3 to 4 times the scaled torque that ITER will have. These experiments utilized an ITER-relevant lower single-null plasma shape and were done with ITER-relevant values of ν ped * and β N ped . These discharges exhibited confinement quality H 98y2 =1.3, in the range required for ITER. In preliminary experiments using n=3 fields only from a coil outside the toroidal coil, QH-mode plasmas with low q 95 =3.4 have reached fusion gain values of G=β N H 89 /q 95 2 =0.4, which is the desired value for ITER. Shots with the same coil configuration also operated with net zero NBI torque. The limits on G and co-I p torque have not yet been established for this coil configuration. QH-mode work to has made significant contact with theory. The importance of edge rotational shear is consistent with peeling-ballooning mode theory. Qualitative and quantitative agreements with the predicted neoclassical toroidal viscosity torque is seen.

Electromagnetic fields - introduction to relevant issues

International Nuclear Information System (INIS)

Brueggemeyer, H.; Csicsaky, M.

1993-01-01

This introductory paper surveys potential sources of electric magnetic, and electro-magnetic fields. Various cases are discussed to exemplify the total frequency range: nuclear magnetic resonance tomography, high-voltage transmission lines, transformer stations, effect lighting balls, military transmitters, transmitter towers of the Postal Services and other operators, mobile radiotelephone equipment, large broadcasting transmitters, radar radiation, high-frequency heat therapy. There is evidence suggesting that electric, magnetic and electro-magnetic fields may possibly represent a certain nuisance or health hazard even at field strength occuring in equipment used for every-day-life purposes, with an emphasis on their possible actions and effects in children and adolescents. The author discusses, in conclusion, the aerial equipment ordinance issued by Lower Saxony. (Uhe) [de

A document processing pipeline for annotating chemical entities in scientific documents.

Science.gov (United States)

Campos, David; Matos, Sérgio; Oliveira, José L

2015-01-01

The recognition of drugs and chemical entities in text is a very important task within the field of biomedical information extraction, given the rapid growth in the amount of published texts (scientific papers, patents, patient records) and the relevance of these and other related concepts. If done effectively, this could allow exploiting such textual resources to automatically extract or infer relevant information, such as drug profiles, relations and similarities between drugs, or associations between drugs and potential drug targets. The objective of this work was to develop and validate a document processing and information extraction pipeline for the identification of chemical entity mentions in text. We used the BioCreative IV CHEMDNER task data to train and evaluate a machine-learning based entity recognition system. Using a combination of two conditional random field models, a selected set of features, and a post-processing stage, we achieved F-measure results of 87.48% in the chemical entity mention recognition task and 87.75% in the chemical document indexing task. We present a machine learning-based solution for automatic recognition of chemical and drug names in scientific documents. The proposed approach applies a rich feature set, including linguistic, orthographic, morphological, dictionary matching and local context features. Post-processing modules are also integrated, performing parentheses correction, abbreviation resolution and filtering erroneous mentions using an exclusion list derived from the training data. The developed methods were implemented as a document annotation tool and web service, freely available at http://bioinformatics.ua.pt/becas-chemicals/.

Savannah River Site management response plan for chemical safety vulnerability field assessment. Revision 1

International Nuclear Information System (INIS)

Kahal, E.J.; Murphy, S.L.; Salaymeh, S.R.

1994-09-01

As part of the U.S. Department of Energy's (DOE) initiative to identify potential chemical safety vulnerabilities in the DOE complex, the Chemical Safety Vulnerability Core Working Group issued a field verification assessment report. While the report concluded that Savannah River Site (SRS) is moving in a positive direction, the report also identified five chemical safety vulnerabilities with broad programmatic impact that are not easily nor quickly remedied. The May 1994 SRS Management Response Plan addressed the five SRS vulnerabilities identified in the field assessment report. The SRS response plan listed observations supporting the vulnerabilities and any actions taken or planned toward resolution. Many of the observations were resolved by simple explanations, such as the existence of implementation plans for Safety Analysis Report updates. Recognizing that correcting individual observations does not suffice in remedying the vulnerabilities, a task team was assembled to address the broader programmatic issues and to recommend corrective actions

NMR chemical shifts in amino acids: Effects of environments, electric field, and amine group rotation

International Nuclear Information System (INIS)

Yoon, Young-Gui; Pfrommer, Bernd G.; Louie, Steven G.; Canning, Andrew

2002-01-01

The authors present calculations of NMR chemical shifts in crystalline phases of some representative amino acids such as glycine, alanine, and alanyl-alanine. To get an insight on how different environments affect the chemical shifts, they study the transition from the crystalline phase to completely isolated molecules of glycine. In the crystalline limit, the shifts are dominated by intermolecular hydrogen-bonds. In the molecular limit, however, dipole electric field effects dominate the behavior of the chemical shifts. They show that it is necessary to average the chemical shifts in glycine over geometries. Tensor components are analyzed to get the angle dependent proton chemical shifts, which is a more refined characterization method

Vastly enhancing the chemical stability of phosphorene by employing an electric field.

Science.gov (United States)

Gao, Junfeng; Zhang, Gang; Zhang, Yong-Wei

2017-03-23

Currently, a major hurdle preventing phosphorene from various electronic applications is its rapid oxidation under ambient conditions. Thus how to enhance its chemical stability by suppressing oxidation becomes an urgent task. Here, we reveal a highly effective procedure to suppress the oxidation of phosphorene by employing a suitable van der Waals (vdW) substrate and a vertical electric field. Our first-principles study shows that the phosphorene-MoSe 2 vdW heterostructure is able to reverse the stability of physisorption and chemisorption of molecular O 2 on phosphorene. With further application of a vertical electric field of -0.6 V Å -1 , the energy barrier for oxidation is able to further increase to 0.91 eV, leading to a 10 5 times enhancement in its lifetime compared with that without using the procedure at room temperature. Our work presents a viable strategy to vastly enhance the chemical stability of phosphorene in air.

Effects of ion-neutral chemical reactions on dynamics of lightning-induced electric field

International Nuclear Information System (INIS)

Hiraki, Yasutaka

2009-01-01

Secondary lightning phenomena in the upper atmosphere called sprites attract interest from the viewpoint of atomic-molecular and plasma physics. Lightning-induced electric field accelerates the ionospheric electrons up to tens of electron-volts, inducing electrical breakdown as well as strong optical emissions, through electron impact ionization of molecules. A large-scale structure of sprites is constructed by collective dynamics of filamentary streamer discharges in a rarified gas, which in turn is controlled by the distribution of the background electric field. In this paper, we firstly reanalyze the relationship between quasi-static field formation and local ion chemistry with first-order perturbation techniques. Secondly, we investigate with a full ion chemical model the effects of electron attachment to oxygen molecules on its density in moderate cases of undervoltage lightning electric fields rather than the cases of intense ionization in streamers. We estimate the minimum values that are provided by the chemical balance with electron detachment from negative ions. We also investigate the recovery timescale of the electron density and find that the scale (≥1 s) is occasionally much larger than the interval of each lightning stroke (∼10 ms). We suggest that the subsequent sprite event as well as the field formation could be well affected by the ghost of the primary event. We discuss further the negative ion chemistry triggered by electron attachment in the nighttime mesosphere.

Chemical Distances for Percolation of Planar Gaussian Free Fields and Critical Random Walk Loop Soups

Science.gov (United States)

Ding, Jian; Li, Li

2018-06-01

We initiate the study on chemical distances of percolation clusters for level sets of two-dimensional discrete Gaussian free fields as well as loop clusters generated by two-dimensional random walk loop soups. One of our results states that the chemical distance between two macroscopic annuli away from the boundary for the random walk loop soup at the critical intensity is of dimension 1 with positive probability. Our proof method is based on an interesting combination of a theorem of Makarov, isomorphism theory, and an entropic repulsion estimate for Gaussian free fields in the presence of a hard wall.

Magnetic field effects on the chemical equilibrium in LaCo5-H system

International Nuclear Information System (INIS)

Yamamoto, Isao; Yamaguchi, Masuhiro; Deguchi, Noritaka; Miura, Shigeto.

1997-01-01

Magnetic field effects on the chemical equilibrium were investigated for a ferromagnetic metal hydride-hydrogen system. The equilibrium hydrogen pressure, measured in the β+γ region for LaCo 5 H x , changed significantly with the applied magnetic fields up to 15 T in the temperature range between 293 and 343 K. Namely, the measured hydrogen pressure increased with increasing magnetic fields. However, such a change in the equilibrium pressure became less remarkable with increasing temperature. These experimental results agreed with the thermodynamic calculation based on magnetic data. (author)

Text Mining for Drugs and Chemical Compounds: Methods, Tools and Applications.

Science.gov (United States)

Vazquez, Miguel; Krallinger, Martin; Leitner, Florian; Valencia, Alfonso

2011-06-01

Providing prior knowledge about biological properties of chemicals, such as kinetic values, protein targets, or toxic effects, can facilitate many aspects of drug development. Chemical information is rapidly accumulating in all sorts of free text documents like patents, industry reports, or scientific articles, which has motivated the development of specifically tailored text mining applications. Despite the potential gains, chemical text mining still faces significant challenges. One of the most salient is the recognition of chemical entities mentioned in text. To help practitioners contribute to this area, a good portion of this review is devoted to this issue, and presents the basic concepts and principles underlying the main strategies. The technical details are introduced and accompanied by relevant bibliographic references. Other tasks discussed are retrieving relevant articles, identifying relationships between chemicals and other entities, or determining the chemical structures of chemicals mentioned in text. This review also introduces a number of published applications that can be used to build pipelines in topics like drug side effects, toxicity, and protein-disease-compound network analysis. We conclude the review with an outlook on how we expect the field to evolve, discussing its possibilities and its current limitations. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Current-current correlation function in presence of chemical potential and external magnetic field

International Nuclear Information System (INIS)

Apresyan, E.A.

2017-01-01

The (2+1)-dimensional electron system was observed, where relation between the Green functions and conductivity was used. The current-current correlation function Π_μ_ν(B) for the fermion system was calculated in presence of non-quantizing magnetic field B, chemical potential η and gap m. From this function it is possible to obtain the equation for polarization operator calculated without the magnetic field. The result is also applicable for graphene

CHANGES IN SOIL CHEMICAL PROPERTIES OF ORGANIC PADDY FIELD WITH AZOLLA APPLICATION

Directory of Open Access Journals (Sweden)

Jauhari Syamsiyah

2016-12-01

Full Text Available The use of organic fertilizer is a way to improve soil fertility. Azolla can be used as organic fertilizer. This study aims to determine the effect of Azolla (Azolla mycrophylla. L on some soil chemical properties on organic paddy field. The field experiments used factorial complete randomized block design of three factors, namely Azolla (0 and 2 tons/ha, Manure (0 and 10 tons/ha and Rice Varieties (Mira1, Mentik Wangi and Merah Putih, with three times replication. Using Azolla on an organic paddy field does not significantly increase the levels of soil N, organic C, Cation Exchange Capacity and soil pH. However Azolla’s influence on soil available P is significant.

State waste discharge permit application, 200-E chemical drain field

Energy Technology Data Exchange (ETDEWEB)

1994-06-01

As part of the Hanford Federal Facility Agreement and Consent Order negotiations (Ecology et al. 1994), the US Department of Energy, Richland Operations Office, the US Environmental Protection Agency, and the Washington State Department of Ecology agreed that liquid effluent discharges to the ground on the Hanford Site which affect groundwater or have the potential to affect ground would be subject to permitting under the structure of Chapter 173-216 (or 173-218 where applicable) of the Washington Administrative Code, the State Waste Discharge Permit Program. As a result of this decision, the Washington State Department of Ecology and the US Department of Energy, Richland Operations Office entered into Consent Order No. DE 91NM-177, (Ecology and DOE-RL 1991). The Consent Order No. DE 91NM-177 requires a series of permitting activities for liquid effluent discharges. This document presents the State Waste Discharge Permit (SWDP) application for the 200-E Chemical Drain Field. Waste water from the 272-E Building enters the process sewer line directly through a floor drain, while waste water from the 2703-E Building is collected in two floor drains, (north and south) that act as sumps and are discharged periodically. The 272-E and 2703-E Buildings constitute the only discharges to the process sewer line and the 200-E Chemical Drain Field.

State waste discharge permit application, 200-E chemical drain field

International Nuclear Information System (INIS)

1994-06-01

As part of the Hanford Federal Facility Agreement and Consent Order negotiations (Ecology et al. 1994), the US Department of Energy, Richland Operations Office, the US Environmental Protection Agency, and the Washington State Department of Ecology agreed that liquid effluent discharges to the ground on the Hanford Site which affect groundwater or have the potential to affect ground would be subject to permitting under the structure of Chapter 173-216 (or 173-218 where applicable) of the Washington Administrative Code, the State Waste Discharge Permit Program. As a result of this decision, the Washington State Department of Ecology and the US Department of Energy, Richland Operations Office entered into Consent Order No. DE 91NM-177, (Ecology and DOE-RL 1991). The Consent Order No. DE 91NM-177 requires a series of permitting activities for liquid effluent discharges. This document presents the State Waste Discharge Permit (SWDP) application for the 200-E Chemical Drain Field. Waste water from the 272-E Building enters the process sewer line directly through a floor drain, while waste water from the 2703-E Building is collected in two floor drains, (north and south) that act as sumps and are discharged periodically. The 272-E and 2703-E Buildings constitute the only discharges to the process sewer line and the 200-E Chemical Drain Field

Chemical shift-selective snapshot FLASH MR imaging in combination with inversion-recovery T1 contrast at different field strengths

International Nuclear Information System (INIS)

Matthaei, D.; Haase, A.; Henrich, D.; Duhmke, E.

1991-01-01

With fast MR imaging, chemical shift contract becomes available to the clinician in seconds. The purpose of this paper is to evaluate the combination of chemical shift selective (CHESS) MR imaging using the snapshot FLASH MR method with the inversion-recovery technique and to obtain information concerning the signal-to-noise and chemical shift with the presaturation method at different field strengths. Investigations with volunteers and experimental animals were done at 2 and 3 T (whole body) and in a 4.7-T animal image. For the inversion-recovery experiments, saturation was done before every snapshot FLASH image. With increasing field strength due to signal-to-noise and chemical shift advantages, the method performs better. Increasing T1 values are also important at high field strengths. The combined technique is useful only for T1 water images with fat saturation. It also allows fast quantification of T1 in water-containing organs and pathologic processes. At high field strengths, fast CHESS and T1 imaging promise fast quantitative information. This is a possible argument for clinical high-field-strength MR imagining along with MR spectroscopy

Effects of water scarcity and chemical pollution in aquatic ecosystems: State of the art.

Science.gov (United States)

Arenas-Sánchez, Alba; Rico, Andreu; Vighi, Marco

2016-12-01

Water scarcity is an expanding climate and human related condition, which drives and interacts with other stressors in freshwater ecosystems such as chemical pollution. In this study we provide an overview of the existing knowledge regarding the chemical fate, biological dynamics and the ecological risks of chemicals under water scarcity conditions. We evaluated a total of 15 studies dealing with the combined effects of chemicals and water scarcity under laboratory conditions and in the field. The results of these studies have been elaborated in order to evaluate additive, synergistic or antagonistic responses of the studied endpoints. As a general rule, it can be concluded that, in situations of water scarcity, the impacts of extreme water fluctuations are much more relevant than those of an additional chemical stressor. Nevertheless, the presence of chemical pollution may result in exacerbated ecological risks in some particular cases. We conclude that further investigations on this topic would take advantage on the focus on some specific issues. Experimental (laboratory and model ecosystem) studies should be performed on different biota groups and life stages (diapausing eggs, immature stages), with particular attention to those including traits relevant for the adaptation to water scarcity. More knowledge on species adaptations and recovery capacity is essential to predict community responses to multiple stressors and to assess the community vulnerability. Field studies should be performed at different scales, particularly in lotic systems, in order to integrate different functional dynamics of the river ecosystem. Combining field monitoring and experimental studies would be the best option to reach more conclusive, causal relationships on the effects of co-occurring stressors. Contribution of these studies to develop ecological models and scenarios is also suggested as an improvement for the prospective aquatic risk assessment of chemicals in (semi-)arid areas

Contaminant mixtures and repoductive health: Developmental toxicity effects in rats after mixed exposure to environmentally relevant endocrine disrupting chemicals, with focus on effects in females

DEFF Research Database (Denmark)

Jacobsen, Pernille Rosenskjold; Christiansen, Sofie; Hass, Ulla

proposed that a similar syndrome, called the ovarian dysgenesis syndrome (ODS), exists for females. This syndrome encompasses alterations in reproductive development caused by chemical exposure in sensitive windows of development that may result in fecundity impairments, gravid diseases, gynecological...... disorders or later onset adult diseases. However, experimental evidence on the effects of developmental exposure to environmentally relevant endocrine disrupting chemicals in females has been missing attention. Since chemical exposure can affect female reproductive development it is important to investigate......, mixtures were modeled based on high end human intakes, and the project involved two developmental mixture studies in rats, called Contamed 1 and 2. In these studies 13 chemicals where data on in vivo endocrine disrupting effects and information on human exposures was available, were selected. The tested...

Monitoring remediation of trichloroethylene using a chemical fiber optic sensor: Field studies

International Nuclear Information System (INIS)

Colston, B.W.; Brown, S.B.; Langry, K.; Daley, P.; Milanovich, F.P.

1994-06-01

Current US Department of Energy (DOE) policy requires characterization and subsequent remediation of areas where trichloroethylene (TCE) has been discharged into the soil and groundwater. Technology that allows trace quantities of this contaminant to be measured in situ on a continuous basis is needed. Fiber optic chemical sensors offer a promising low cost solution. Field tests of such a fiber optic chemical sensor for TCE have recently been completed. Sensors have been used to measure TCE contamination at Savannah River Site (SRS) and Lawrence Livermore National Laboratory Site 300 (S300) in the groundwater and vadose zones. Both sites are currently undergoing remediation processes

[Test Reviews in Child Psychology: Test Users Wish to Obtain Practical Information Relevant to their Respective Field of Work].

Science.gov (United States)

Renner, Gerolf; Irblich, Dieter

2016-11-01

Test Reviews in Child Psychology: Test Users Wish to Obtain Practical Information Relevant to their Respective Field of Work This study investigated to what extent diagnosticians use reviews of psychometric tests for children and adolescents, how they evaluate their quality, and what they expect concerning content. Test users (n = 323) from different areas of work (notably social pediatrics, early intervention, special education, speech and language therapy) rated test reviews as one of the most important sources of information. Readers of test reviews value practically oriented descriptions and evaluations of tests that are relevant to their respective field of work. They expect independent reviews that critically discuss opportunities and limits of the tests under scrutiny. The results show that authors of test reviews should not only have a background in test theory but should also be familiar with the practical application of tests in various settings.

Experimental and numerical reaction analysis on sodium-water chemical reaction field

International Nuclear Information System (INIS)

Deguchi, Yoshihiro; Takata, Takashi; Yamaguchi, Akira; Kikuchi, Shin; Ohshima, Hiroyuki

2015-01-01

In a sodium-cooled fast reactor (SFR), liquid sodium is used as a heat transfer fluid because of its excellent heat transport capability. On the other hand, it has strong chemical reactivity with water vapor. One of the design basis accidents of the SFR is the water leakage into the liquid sodium flow by a breach of heat transfer tubes. This process ends up damages on the heat transport equipment in the SFR. Therefore, the study on sodium-water chemical reactions is of paramount importance for security reasons. This study aims to clarify the sodium-water reaction mechanisms using an elementary reaction analysis. A quasi one-dimensional flame model is applied to a sodium-water counter-flow reaction field. The analysis contains 25 elementary reactions, which consist of 17 H_2-O_2 and 8 Na-H_2O reactions. Temperature and species concentrations in the counter-flow reaction field were measured using laser diagnostics such as LIF and CARS. The main reaction in the experimental conditions is Na+H_2O → NaOH+H and OH is produced by H_2O+H → H_2+OH. It is demonstrated that the reaction model in this study well explains the structure of the sodium-water counter-flow diffusion flame. (author)

Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7

Directory of Open Access Journals (Sweden)

A. V. Sulimov

2017-01-01

Full Text Available Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated.

Combined Docking with Classical Force Field and Quantum Chemical Semiempirical Method PM7.

Science.gov (United States)

Sulimov, A V; Kutov, D C; Katkova, E V; Sulimov, V B

2017-01-01

Results of the combined use of the classical force field and the recent quantum chemical PM7 method for docking are presented. Initially the gridless docking of a flexible low molecular weight ligand into the rigid target protein is performed with the energy function calculated in the MMFF94 force field with implicit water solvent in the PCM model. Among several hundred thousand local minima, which are found in the docking procedure, about eight thousand lowest energy minima are chosen and then energies of these minima are recalculated with the recent quantum chemical semiempirical PM7 method. This procedure is applied to 16 test complexes with different proteins and ligands. For almost all test complexes such energy recalculation results in the global energy minimum configuration corresponding to the ligand pose near the native ligand position in the crystalized protein-ligand complex. A significant improvement of the ligand positioning accuracy comparing with MMFF94 energy calculations is demonstrated.

Numerical solutions of several reflected shock-wave flow fields with nonequilibrium chemical reactions

Science.gov (United States)

Hanson, R. K.; Presley, L. L.; Williams, E. V.

1972-01-01

The method of characteristics for a chemically reacting gas is used in the construction of the time-dependent, one-dimensional flow field resulting from the normal reflection of an incident shock wave at the end wall of a shock tube. Nonequilibrium chemical reactions are allowed behind both the incident and reflected shock waves. All the solutions are evaluated for oxygen, but the results are generally representative of any inviscid, nonconducting, and nonradiating diatomic gas. The solutions clearly show that: (1) both the incident- and reflected-shock chemical relaxation times are important in governing the time to attain steady state thermodynamic properties; and (2) adjacent to the end wall, an excess-entropy layer develops wherein the steady state values of all the thermodynamic variables except pressure differ significantly from their corresponding Rankine-Hugoniot equilibrium values.

The Equipment of Czech Firefighters for the Detection and Field Analyses of Chemical Warfare Agents

Directory of Open Access Journals (Sweden)

Jana Krykorkova

2014-05-01

Full Text Available This paper describes the requirements for the devices of detection, chemical reconnaissance and field analyses of chemical warfare agents (CWA and divides them into simple devices of detection, universal detectors, selective analyzers, multi-component analyzers and mobile laboratories. It also describes the devices of detection available within the Fire and Rescue Service of the Czech Republic (FRS CR and compares them with some prospective trends of further development.

Human Exposure Model (HEM): A modular, web-based application to characterize near-field chemical exposures and releases

Science.gov (United States)

The U.S. EPA’s Chemical Safety and Sustainability research program is developing the Human Exposure Model (HEM) to assess near-field exposures to chemicals that occur in various populations over the entire life cycle of a consumer product. The model will be implemented as a...

Heterogeneous reaction mechanisms and kinetics relevant to the CVD of semiconductor materials

Energy Technology Data Exchange (ETDEWEB)

Creighton, J.R.; Coltrin, M.E.

1994-03-01

This report documents the state of the art in experimental and theoretical techniques for determining reaction mechanisms and chemical kinetics of heterogeneous reactions relevant to the chemical vapor deposition of semiconductor materials. It summarizes the most common ultra-high vacuum experimental techniques that are used and the types of rate information available from each. Several case studies of specific chemical systems relevant to the microelectronics industry are described. Theoretical methods for calculating heterogeneous reaction rate constants are also summarized.

Does location congruence matter? : a field study on the effects of location based advertising on perceived adintrusiveness, relevance and value

NARCIS (Netherlands)

Hühn, A.E.; Khan, J.V.; Ketelaar, P.; van t Riet, J.J.; Batalas, N.; König, R.; Rozendaal, E.; Markopoulos, P.

2017-01-01

We investigate the effect of location-congruent mobile messages on perceived intrusiveness, value, and relevance through a field experiment using the Experience Sampling Method (ESM). We developed a mobile application for undergraduate students, featuring campus news and information concerning class

Does location congruence matter? A field study on the effects of location-based advertising on perceived AD intrusiveness, relevance & value

NARCIS (Netherlands)

Hühn, A.E.; Khan, V.J.; Ketelaar, P.E.; Riet, J.P. van 't; Konig, R.P.; Rozendaal, E.; Batalas, N.; Markopoulos, P.

2017-01-01

We investigate the effect of location-congruent mobile messages on perceived intrusiveness, value, and relevance through a field experiment using the Experience Sampling Method (ESM). We developed a mobile application for undergraduate students, featuring campus news and information concerning class

Diuron-induced rat urinary bladder carcinogenesis: mode of action and human relevance evaluations using the International Programme on Chemical Safety framework.

Science.gov (United States)

Da Rocha, Mitscheli Sanches; Arnold, Lora L; De Oliveira, Maria Luiza Cotrim Sartor; Catalano, Shadia M Ihlaseh; Cardoso, Ana Paula Ferragut; Pontes, Merielen G N; Ferrucio, Bianca; Dodmane, Puttappa R; Cohen, Samuel M; De Camargo, João Lauro V

2014-05-01

Diuron, a high volume substituted urea herbicide, induced high incidences of urinary bladder carcinomas and low incidences of kidney pelvis papillomas and carcinomas in rats exposed to high doses (2500 ppm) in a 2-year bioassay. Diuron is registered for both occupational and residential uses and is used worldwide for more than 30 different crops. The proposed rat urothelial mode of action (MOA) for this herbicide consists of metabolic activation to metabolites that are excreted and concentrated in the urine, leading to cytotoxicity, urothelial cell necrosis and exfoliation, regenerative hyperplasia, and eventually tumors. We show evidence for this MOA for diuron using the International Programme on Chemical Safety (IPCS) conceptual framework for evaluating an MOA for chemical carcinogens, and the United States Environmental Protection Agency (USEPA) and IPCS framework for assessing human relevance.

Effect of drug precursors and chemicals relevant to clandestine laboratory investigation on plastic bags used for collection and storage.

Science.gov (United States)

Michelot, Harmonie; Fu, Shanlin; Stuart, Barbara; Shimmon, Ronald; Raymond, Tony; Crandell, Tony; Roux, Claude

2017-04-01

In the area of clandestine laboratory investigations, plastic bags are used to collect and store evidence, such as solvents, precursors, and other compounds usually employed for the manufacturing of drugs (although liquids may be stored in glass containers within the bags first). In this study, three different types of plastic bags were provided by the NSW Police Force and investigated for their suitability for evidence collection: two different types of low-density polyethylene (LDPE) bags and one type of polyvinyl chloride (PVC) bag. Three different experiments were carried out: (1) storing relevant chemicals in the bags for up to three months; (2) exposing the bags including their content to accelerated conditions using a weatherometer, and (3) simulating an expected real case scenario. This study indicates that drugs and related chemicals stored in plastic bags may lead to a change in the composition of the chemical and an alteration or degradation of the plastic bag. All experiments led to the same conclusion: the polyvinyl chloride bags appeared to be the most affected. LDPE bags seem to be more appropriate for routine use, although it has been established they are not suitable for the collection of liquids (unless pre-packaged in, for instance, a glass container). Copyright © 2017 Elsevier B.V. All rights reserved.

Conducting Polymers in the Fields of Energy, Environmental Remediation, and Chemical-Chiral Sensors.

Science.gov (United States)

Ibanez, Jorge G; Rincón, Marina E; Gutierrez-Granados, Silvia; Chahma, M'hamed; Jaramillo-Quintero, Oscar A; Frontana-Uribe, Bernardo A

2018-05-09

Conducting polymers (CPs), thanks to their unique properties, structures made on-demand, new composite mixtures, and possibility of deposit on a surface by chemical, physical, or electrochemical methodologies, have shown in the last years a renaissance and have been widely used in important fields of chemistry and materials science. Due to the extent of the literature on CPs, this review, after a concise introduction about the interrelationship between electrochemistry and conducting polymers, is focused exclusively on the following applications: energy (energy storage devices and solar cells), use in environmental remediation (anion and cation trapping, electrocatalytic reduction/oxidation of pollutants on CP based electrodes, and adsorption of pollutants) and finally electroanalysis as chemical sensors in solution, gas phase, and chiral molecules. This review is expected to be comprehensive, authoritative, and useful to the chemical community interested in CPs and their applications.

Comparison of chemical inputs consumption in saffron and wheat fields in Qaenat region

Directory of Open Access Journals (Sweden)

Fatemeh Yaghoubi

2014-09-01

Full Text Available Commercialization of agricultural operations and use of pesticides and chemical fertilizers in agricultural production has been created serious environmental impacts. Due to this issue and in order to assess the amount of chemical fertilizer and pesticide inputs in saffron and wheat production systems, a study was conducted in Qaenat region (South Khorasan province, 50 wheat fields and 48 saffron fields were investigated during 2011-12. The results showed that average nitrogen fertilizer consumption was 222.38 and 57.83 kg.ha-1 in wheat and saffron production systems, respectively, which from sstatistically point of view the difference was significant. In addition, unlike wheat, the use of pesticides very low in saffron cultivation and in many saffron farms it was zero. Therefore, the results can be considered saffron is an healthier product and have greater potential to organic product. Also, the amounts of nitrogen, phosphorus and potassium fertilizers which were using in wheat in the study area were significantly different with recommended values. While in saffron production there was no significant difference between the values of consumed and recommended. Therefore, it seems, performing soil testing in each region and providing appropriate fertilizer formulas and required promotional-educational services in this regard, and raising public awareness is a good strategy for reducing the use of chemical inputs.

Identification of environmentally relevant chemicals in bibliographic databases: a comparative analysis

DEFF Research Database (Denmark)

Ellegaard, Ole; Wallin, Johan Albert

2013-01-01

takes as its starting point environmentally important chemicals and the retrieval of selectively chosen substances in the four databases: SciFinder, Web of Science (WoS), Scopus and Google Scholar. The way chemical data are stored in the databases plays a major role in the recovery process...

Analysis of a Stochastic Chemical System Close to a SNIPER Bifurcation of Its Mean-Field Model

KAUST Repository

Erban, Radek

2009-01-01

A framework for the analysis of stochastic models of chemical systems for which the deterministic mean-field description is undergoing a saddle-node infinite period (SNIPER) bifurcation is presented. Such a bifurcation occurs, for example, in the modeling of cell-cycle regulation. It is shown that the stochastic system possesses oscillatory solutions even for parameter values for which the mean-field model does not oscillate. The dependence of the mean period of these oscillations on the parameters of the model (kinetic rate constants) and the size of the system (number of molecules present) are studied. Our approach is based on the chemical Fokker-Planck equation. To gain some insight into the advantages and disadvantages of the method, a simple one-dimensional chemical switch is first analyzed, and then the chemical SNIPER problem is studied in detail. First, results obtained by solving the Fokker-Planck equation numerically are presented. Then an asymptotic analysis of the Fokker-Planck equation is used to derive explicit formulae for the period of oscillation as a function of the rate constants and as a function of the system size. © 2009 Society for Industrial and Applied Mathematics.

Ethics of genetic counseling--basic concepts and relevance to Islamic communities.

Science.gov (United States)

El-Hazmi, Mohsen A F

2004-01-01

Scientific advances and technical developments in the field of laboratory diagnosis and their practical applications have raised ethical issues linked to religion, beliefs, lifestyle and traditions prevailing in different communities. Some of these are pertinent to genetic screening at various stages of life, prenatal diagnosis and the right of the genetically affected fetus to live--all aspects relevant to inbreeding marriages. Of relevance are medical and ethical principles based on professional responsibility. These ideological and social aspects encounter the challenges of science and its applications in the health field, which are linked, directly or indirectly, to scientific achievements and applications related to human genetics. Analysis of the human genome and identification of its sequence, and chemical components, and theories arising from connection of human genome components in health and disease conditions, have led to global requirements to outline legal aspects and ethical principles in relation to diagnosis, prevention and health care. This paper presents basic aspects of disseminating genetic information, guiding the individual, the couple, or the concerned family through genetically induced ill health and methods of control and prevention. The paper discusses the elements and manner and presents details of the application of genetic counseling in Islamic communities in light of scientific, religious, social and legal aspects in the Islamic arena.

Genome-wide Escherichia coli stress response and improved tolerance towards industrially relevant chemicals

DEFF Research Database (Denmark)

Rau, Martin Holm; Calero Valdayo, Patricia; Lennen, Rebecca

2016-01-01

Economically viable biobased production of bulk chemicals and biofuels typically requires high product titers. During microbial bioconversion this often leads to product toxicity, and tolerance is therefore a critical element in the engineering of production strains. Here, a systems biology...... approach was employed to understand the chemical stress response of Escherichia coli, including a genome-wide screen for mutants with increased fitness during chemical stress. Twelve chemicals with significant production potential were selected, consisting of organic solvent-like chemicals (butanol......, hydroxy-γ-butyrolactone, 1,4-butanediol, furfural), organic acids (acetate, itaconic acid, levulinic acid, succinic acid), amino acids (serine, threonine) and membrane-intercalating chemicals (decanoic acid, geraniol). The transcriptional response towards these chemicals revealed large overlaps...

Molecular simulation of the thermophysical properties and phase behaviour of impure CO2 relevant to CCS.

Science.gov (United States)

Cresswell, Alexander J; Wheatley, Richard J; Wilkinson, Richard D; Graham, Richard S

2016-10-20

Impurities from the CCS chain can greatly influence the physical properties of CO 2 . This has important design, safety and cost implications for the compression, transport and storage of CO 2 . There is an urgent need to understand and predict the properties of impure CO 2 to assist with CCS implementation. However, CCS presents demanding modelling requirements. A suitable model must both accurately and robustly predict CO 2 phase behaviour over a wide range of temperatures and pressures, and maintain that predictive power for CO 2 mixtures with numerous, mutually interacting chemical species. A promising technique to address this task is molecular simulation. It offers a molecular approach, with foundations in firmly established physical principles, along with the potential to predict the wide range of physical properties required for CCS. The quality of predictions from molecular simulation depends on accurate force-fields to describe the interactions between CO 2 and other molecules. Unfortunately, there is currently no universally applicable method to obtain force-fields suitable for molecular simulation. In this paper we present two methods of obtaining force-fields: the first being semi-empirical and the second using ab initio quantum-chemical calculations. In the first approach we optimise the impurity force-field against measurements of the phase and pressure-volume behaviour of CO 2 binary mixtures with N 2 , O 2 , Ar and H 2 . A gradient-free optimiser allows us to use the simulation itself as the underlying model. This leads to accurate and robust predictions under conditions relevant to CCS. In the second approach we use quantum-chemical calculations to produce ab initio evaluations of the interactions between CO 2 and relevant impurities, taking N 2 as an exemplar. We use a modest number of these calculations to train a machine-learning algorithm, known as a Gaussian process, to describe these data. The resulting model is then able to accurately

Chemical dependency: An occupational hazard in the field of anaesthesia

International Nuclear Information System (INIS)

Ismail, S.

2010-01-01

The medical personnel are vulnerable to substance abuse and dependence due to ready access to substance of abuse. Addiction is considered as an occupational hazard for those involved in the practice of anaesthesia for the same reason. Substance abuse is defined as a psychosocial biogenetic disease, which results from dynamic interplay between a susceptible host and favourable environment. According to the fifth and the last National Survey on Drug Abuse (NSDA) in 1993 by Pakistan Narcotic Control, there are nearly three million drug dependants Review Article Chemical dependency: An occupational hazard in the field of anaesthesia Samina Ismail Department of Anaesthesia, Aga Khan University Hospital, Karachi. in Pakistan, but no data is available to determine the prevalence among medical or anaesthesia personnel. In order to handle the rising trend of chemical abuse, we need to have more surveys and studies on this subject, written policy and educational programme in postgraduate training with proper control and frequent checking of narcotic dispensing. Reporting of drug abuse and rehabilitation of affected doctors are areas which need to be worked upon. (author)

Metabolomics in chemical ecology.

Science.gov (United States)

Kuhlisch, Constanze; Pohnert, Georg

2015-07-01

Chemical ecology elucidates the nature and role of natural products as mediators of organismal interactions. The emerging techniques that can be summarized under the concept of metabolomics provide new opportunities to study such environmentally relevant signaling molecules. Especially comparative tools in metabolomics enable the identification of compounds that are regulated during interaction situations and that might play a role as e.g. pheromones, allelochemicals or in induced and activated defenses. This approach helps overcoming limitations of traditional bioassay-guided structure elucidation approaches. But the power of metabolomics is not limited to the comparison of metabolic profiles of interacting partners. Especially the link to other -omics techniques helps to unravel not only the compounds in question but the entire biosynthetic and genetic re-wiring, required for an ecological response. This review comprehensively highlights successful applications of metabolomics in chemical ecology and discusses existing limitations of these novel techniques. It focuses on recent developments in comparative metabolomics and discusses the use of metabolomics in the systems biology of organismal interactions. It also outlines the potential of large metabolomics initiatives for model organisms in the field of chemical ecology.

Effects of clinically relevant doses of methyphenidate on spatial memory, behavioral sensitization and open field habituation: a time related study.

Science.gov (United States)

Haleem, Darakhshan Jabeen; Inam, Qurrat-ul-Aen; Haleem, Muhammad Abdul

2015-03-15

The psychostimulant methylphenidate (MPD) is a first-line drug for the treatment of attention deficit hyperactivity disorder (ADHD). Despite acceptable therapeutic efficacy, there is limited data regarding the long-term consequences of MPD exposure over extended periods. The present study concerns effects of clinically relevant doses of MPD, administered orally to rats for an extended period, on spatial memory, behavioral sensitization and habituation to an open field. Water maze test was used to monitor memory acquisition (2 h after training), retention (day next to training), extinction (1 week after training) and reconsolidation (weekly for 4 weeks). Administration of MPD at doses of 0.25-1.0 mg/kg improved memory acquisition, retention, reconsolidation and impaired memory extinction. Treatment with 0.25 and 0.5 mg/kg MPD for 6 weeks produced a sustained increase in motor activity but higher dose (1.0 mg/kg) elicited behavioral sensitization. High as well as low doses MPD impaired open field habituation. We conclude that clinically relevant doses of MPD enhance memory even if used for extended period. It is suggested that higher (1.0 mg/kg) clinically relevant doses of MPD, if used for extended period, may exacerbate hyperactivity and impulsivity associated with the disease. Copyright © 2015 Elsevier B.V. All rights reserved.

Formation of CdS thin films in a chemical bath environment under the action of an external magnetic field

International Nuclear Information System (INIS)

Vaskes-Luna, Kh.G.; Zekhe, A.; Nhukhil'o-Garsiya, M.P.; Starostenko, O.

2000-01-01

The effect of external magnetic field on obtaining thin CdS films on glass sub layers through the method of chemical deposition from the cadmium chloride aqueous solution is studied. The intensity and direction of the magnetic field during deposition obviously affect the number of physical properties of polycrystalline films: thickness, grain size and optical quality. The films characteristics are studied through an atomic-power microscope, light absorption spectroscopy and conductometry in darkness. The results obtained are interpreted on the basis of notions on the cadmium and sulfur specific interaction in the chemical bath with a magnetic field [ru

Exploratory studies of flowing liquid metal divertor options for fusion-relevant magnetic fields in the MTOR facility

International Nuclear Information System (INIS)

Ying, A.Y.; Abdou, M.A.; Morley, N.; Sketchley, T.; Woolley, R.; Burris, J.; Kaita, R.; Fogarty, P.; Huang, H.; Lao, X.; Narula, M.; Smolentsev, S.; Ulrickson, M.

2004-01-01

This paper reports on experimental findings on liquid metal (LM) free surface flows crossing complex magnetic fields. The experiments involve jet and film flows using GaInSn and are conducted at the UCLA MTOR facility. The goal of this study is to understand the magnetohydrodynamics (MHD) features associated with such a free surface flow in a fusion-relevant magnetic field environment, and determine what LM free surface flow option is most suitable for lithium divertor particle pumping and surface heat removal applications in a near-term experimental plasma device, such as NSTX. Experimental findings indicate that a steady transverse magnetic field, even with gradients typical of NSTX outer divertor conditions, stabilizes a LM jet flow--reducing turbulent disturbances and delaying jet breakup. Important insights into the MHD behavior of liquid metal films under NSTX-like environments are also presented. It is possible to establish an uphill liquid metal film flow on a conducting substrate, although the MHD drag experienced by the flow could be strong and cause the flow to pile-up under simulated NSTX magnetic field conditions. The magnetic field changes the turbulent film flow so that wave structures range from 2D column-type surface disturbances at regions of high magnetic field, to ordinary hydrodynamic turbulence wave structures at regions of low field strength at the outboard. Plans for future work are also presented

Chemical composition of the horizontal-branch stars of globular clusters in the galactic field

International Nuclear Information System (INIS)

Klochkova, V.G.; Panchuk, V.E.

1987-01-01

Chemical abundance is calculated for 6 field stars: HD 2857, 64488, 93329, 105262, HDE 281679, BD+20 deg 5009, using 12 spectra with a reciprocal dispersion of 9 A/mm, obtained on the 6-m telescope. Fundamental characteristics for 7 stars of the horizontal branch are found

Field-level sublethal effects of approved bee hive chemicals on Honey Bees (Apis mellifera L).

Science.gov (United States)

Berry, Jennifer A; Hood, W Michael; Pietravalle, Stéphane; Delaplane, Keith S

2013-01-01

In a study replicated across two states and two years, we tested the sublethal effects on honey bees of the miticides Apistan (tau fluvalinate) and Check Mite+ (coumaphos) and the wood preservative copper naphthenate applied at label rates in field conditions. A continuous covariate, a colony Varroa mite index, helped us disambiguate the effects of the chemicals on bees while adjusting for a presumed benefit of controlling mites. Mite levels in colonies treated with Apistan or Check Mite+ were not different from levels in non-treated controls. Experimental chemicals significantly decreased 3-day brood survivorship and increased construction of queen supercedure cells compared to non-treated controls. Bees exposed to Check Mite+ as immatures had higher legacy mortality as adults relative to non-treated controls, whereas bees exposed to Apistan had improved legacy mortality relative to non-treated controls. Relative to non-treated controls, Check Mite+ increased adult emergence weight. Although there was a treatment effect on a test of associative learning, it was not possible to statistically separate the treatment means, but bees treated with Apistan performed comparatively well. And finally, there were no detected effects of bee hive chemical on colony bee population, amount of brood, amount of honey, foraging rate, time required for marked released bees to return to their nest, percentage of released bees that return to the nest, and colony Nosema spore loads. To our knowledge, this is the first study to examine sublethal effects of bee hive chemicals applied at label rates under field conditions while disambiguating the results from mite control benefits realized from the chemicals. Given the poor performance of the miticides at reducing mites and their inconsistent effects on the host, these results defend the use of bee health management practices that minimize use of exotic hive chemicals.

Field-level sublethal effects of approved bee hive chemicals on Honey Bees (Apis mellifera L.

Directory of Open Access Journals (Sweden)

Jennifer A Berry

Full Text Available In a study replicated across two states and two years, we tested the sublethal effects on honey bees of the miticides Apistan (tau fluvalinate and Check Mite+ (coumaphos and the wood preservative copper naphthenate applied at label rates in field conditions. A continuous covariate, a colony Varroa mite index, helped us disambiguate the effects of the chemicals on bees while adjusting for a presumed benefit of controlling mites. Mite levels in colonies treated with Apistan or Check Mite+ were not different from levels in non-treated controls. Experimental chemicals significantly decreased 3-day brood survivorship and increased construction of queen supercedure cells compared to non-treated controls. Bees exposed to Check Mite+ as immatures had higher legacy mortality as adults relative to non-treated controls, whereas bees exposed to Apistan had improved legacy mortality relative to non-treated controls. Relative to non-treated controls, Check Mite+ increased adult emergence weight. Although there was a treatment effect on a test of associative learning, it was not possible to statistically separate the treatment means, but bees treated with Apistan performed comparatively well. And finally, there were no detected effects of bee hive chemical on colony bee population, amount of brood, amount of honey, foraging rate, time required for marked released bees to return to their nest, percentage of released bees that return to the nest, and colony Nosema spore loads. To our knowledge, this is the first study to examine sublethal effects of bee hive chemicals applied at label rates under field conditions while disambiguating the results from mite control benefits realized from the chemicals. Given the poor performance of the miticides at reducing mites and their inconsistent effects on the host, these results defend the use of bee health management practices that minimize use of exotic hive chemicals.

Synthesis of Co/Co3O4 Nanocomposite Particles Relevant to Magnetic Field Processing

DEFF Research Database (Denmark)

Srivastava, A.K.; Madhavi, S.; Menon, Mohan

2010-01-01

Co/Co3O4 nanocomposite particles of various morphologies were synthesized by the reverse micelle technique. Equiaxed, rod and faceted crystals with rectangular, pentagonal and hexagonal cross sections were observed. Annealing resulted in the formation of a composite of cobalt oxide (Co3O4) and fc...... cobalt (Co). Removal of boron residues from the final product was established by surface characterization. Magnetic moment of these nanocomposite particles is relevant to magnetic field processing.......Co/Co3O4 nanocomposite particles of various morphologies were synthesized by the reverse micelle technique. Equiaxed, rod and faceted crystals with rectangular, pentagonal and hexagonal cross sections were observed. Annealing resulted in the formation of a composite of cobalt oxide (Co3O4) and fcc...

Automated detection of structural alerts (chemical fragments in (ecotoxicology

Directory of Open Access Journals (Sweden)

Ronan Bureau

2013-02-01

Full Text Available This mini-review describes the evolution of different algorithms dedicated to the automated discovery of chemical fragments associated to (ecotoxicological endpoints. These structural alerts correspond to one of the most interesting approach of in silico toxicology due to their direct link with specific toxicological mechanisms. A number of expert systems are already available but, since the first work in this field which considered a binomial distribution of chemical fragments between two datasets, new data miners were developed and applied with success in chemoinformatics. The frequency of a chemical fragment in a dataset is often at the core of the process for the definition of its toxicological relevance. However, recent progresses in data mining provide new insights into the automated discovery of new rules. Particularly, this review highlights the notion of Emerging Patterns that can capture contrasts between classes of data.

AUTOMATED DETECTION OF STRUCTURAL ALERTS (CHEMICAL FRAGMENTS IN (ECOTOXICOLOGY

Directory of Open Access Journals (Sweden)

Alban Lepailleur

2013-02-01

Full Text Available This mini-review describes the evolution of different algorithms dedicated to the automated discovery of chemical fragments associated to (ecotoxicological endpoints. These structural alerts correspond to one of the most interesting approach of in silico toxicology due to their direct link with specific toxicological mechanisms. A number of expert systems are already available but, since the first work in this field which considered a binomial distribution of chemical fragments between two datasets, new data miners were developed and applied with success in chemoinformatics. The frequency of a chemical fragment in a dataset is often at the core of the process for the definition of its toxicological relevance. However, recent progresses in data mining provide new insights into the automated discovery of new rules. Particularly, this review highlights the notion of Emerging Patterns that can capture contrasts between classes of data.

Recent Progress in Molecular Simulation of Aqueous Electrolytes: Force Fields, Chemical Potentials and Solubility.

Czech Academy of Sciences Publication Activity Database

Nezbeda, Ivo; Moučka, F.; Smith, W.R.

2016-01-01

Roč. 114, č. 11 (2016), s. 1665-1690 ISSN 0026-8976 R&D Projects: GA ČR GA15-19542S Grant - others:NSERC(CA) OGP1041 Institutional support: RVO:67985858 Keywords : force fields * chemical potentials * aqueous electrolytes Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.870, year: 2016

New generation of docking programs: Supercomputer validation of force fields and quantum-chemical methods for docking.

Science.gov (United States)

Sulimov, Alexey V; Kutov, Danil C; Katkova, Ekaterina V; Ilin, Ivan S; Sulimov, Vladimir B

2017-11-01

Discovery of new inhibitors of the protein associated with a given disease is the initial and most important stage of the whole process of the rational development of new pharmaceutical substances. New inhibitors block the active site of the target protein and the disease is cured. Computer-aided molecular modeling can considerably increase effectiveness of new inhibitors development. Reliable predictions of the target protein inhibition by a small molecule, ligand, is defined by the accuracy of docking programs. Such programs position a ligand in the target protein and estimate the protein-ligand binding energy. Positioning accuracy of modern docking programs is satisfactory. However, the accuracy of binding energy calculations is too low to predict good inhibitors. For effective application of docking programs to new inhibitors development the accuracy of binding energy calculations should be higher than 1kcal/mol. Reasons of limited accuracy of modern docking programs are discussed. One of the most important aspects limiting this accuracy is imperfection of protein-ligand energy calculations. Results of supercomputer validation of several force fields and quantum-chemical methods for docking are presented. The validation was performed by quasi-docking as follows. First, the low energy minima spectra of 16 protein-ligand complexes were found by exhaustive minima search in the MMFF94 force field. Second, energies of the lowest 8192 minima are recalculated with CHARMM force field and PM6-D3H4X and PM7 quantum-chemical methods for each complex. The analysis of minima energies reveals the docking positioning accuracies of the PM7 and PM6-D3H4X quantum-chemical methods and the CHARMM force field are close to one another and they are better than the positioning accuracy of the MMFF94 force field. Copyright © 2017 Elsevier Inc. All rights reserved.

NATO Advanced Study Institute on Advances in Chemical Reaction Dynamics

CERN Document Server

Capellos, Christos

1986-01-01

This book contains the formal lectures and contributed papers presented at the NATO Advanced Study Institute on. the Advances in Chemical Reaction Dynamics. The meeting convened at the city of Iraklion, Crete, Greece on 25 August 1985 and continued to 7 September 1985. The material presented describes the fundamental and recent advances in experimental and theoretical aspects of, reaction dynamics. A large section is devoted to electronically excited states, ionic species, and free radicals, relevant to chemical sys­ tems. In addition recent advances in gas phase polymerization, formation of clusters, and energy release processes in energetic materials were presented. Selected papers deal with topics such as the dynamics of electric field effects in low polar solutions, high electric field perturbations and relaxation of dipole equilibria, correlation in picosecond/laser pulse scattering, and applications to fast reaction dynamics. Picosecond transient Raman spectroscopy which has been used for the elucidati...

Research on the Influence of an Acoustic Field on Particle Cohesion in Liquid

Directory of Open Access Journals (Sweden)

Ramūnas Vilkišius

2012-12-01

Full Text Available Iron is one of the most common natural elements. When iron concentration in water is more than 0,3 mg/l, it causes the formation of rust drain tag or changes the colour of the fabric during washing. Thus, the use of the acoustic field to improve water quality is a very relevant topic. Acoustic oscillations are currently widely used in various industrial sectors, including water treatment, metallurgy, chemical and food industry, equipment manufacturing and medicine. When materials are affected by acoustic fields, physical-chemical processes begin. Acoustic fields cause material dispersion, emulsification, coagulation and degassing (gas removal as well as influence the crystallization and melting processes. Acoustic vibrations may also cause various chemical transformations such as oxidation, polymerization processes and depolymerisation. The utilization of acoustics to enhance water oxidation and precipitation of coarse impurities further extends the scope of the use of this physical method.Article in Lithuanian

Research on the Influence of an Acoustic Field on Particle Cohesion in Liquid

Directory of Open Access Journals (Sweden)

Ramūnas Vilkišius

2013-02-01

Full Text Available Iron is one of the most common natural elements. When iron concentration in water is more than 0,3 mg/l, it causes the formation of rust drain tag or changes the colour of the fabric during washing. Thus, the use of the acoustic field to improve water quality is a very relevant topic. Acoustic oscillations are currently widely used in various industrial sectors, including water treatment, metallurgy, chemical and food industry, equipment manufacturing and medicine. When materials are affected by acoustic fields, physical-chemical processes begin. Acoustic fields cause material dispersion, emulsification, coagulation and degassing (gas removal as well as influence the crystallization and melting processes. Acoustic vibrations may also cause various chemical transformations such as oxidation, polymerization processes and depolymerisation. The utilization of acoustics to enhance water oxidation and precipitation of coarse impurities further extends the scope of the use of this physical method.Article in Lithuanian

Theoretical and experimental study on solid chemical reaction between BaCO3 and TiO2 in microwave field

International Nuclear Information System (INIS)

Liu Hanxing; Guo, Liling; Zou Long; Cao Minhe; Zhou Jian; Ouyang Shixi

2004-01-01

Solid-state chemical reaction mechanism for the reaction between BaCO 3 and TiO 2 in microwave field was investigated based on X-ray power diffraction (XRD) data and theory of diffusion. The compositions of the resultant after reaction under different conditions were studied by employing XRD. The quantitative analyses based on XRD data showed the reaction in microwave field was quite different from that in the conventional method. A model was proposed to explain the change of the ratio between the reactant BaCO 3 , TiO 2 and the resultant BaTiO 3 for the chemical reaction. The formation kinetic of BaTiO 3 from the BaCO 3 and TiO 2 was calculated by employing this theoretical model. The reaction rate between BaCO 3 and TiO 2 in microwave field was much higher than that in conventional method. The activation energy of the atomic diffusions in this solid chemical reaction is only 58 kJ/mol, which was only about 1/4 of 232 kJ/mol in the conventional value. The result suggests that the microwave field enhance atomic diffusion during the reaction

Analysis of a Stochastic Chemical System Close to a SNIPER Bifurcation of Its Mean-Field Model

KAUST Repository

Erban, Radek; Chapman, S. Jonathan; Kevrekidis, Ioannis G.; Vejchodský , Tomá š

2009-01-01

A framework for the analysis of stochastic models of chemical systems for which the deterministic mean-field description is undergoing a saddle-node infinite period (SNIPER) bifurcation is presented. Such a bifurcation occurs, for example

Chemical management in fungicide sensitivity of Mycosphaerella fijiensis collected from banana fields in México.

Science.gov (United States)

Aguilar-Barragan, Alejandra; García-Torres, Ana Elisa; Odriozola-Casas, Olga; Macedo-Raygoza, Gloria; Ogura, Tetsuya; Manzo-Sánchez, Gilberto; James, Andrew C; Islas-Flores, Ignacio; Beltrán-García, Miguel J

2014-01-01

The chemical management of the black leaf streak disease in banana caused by Mycosphaerella fijiensis (Morelet) requires numerous applications of fungicides per year. However this has led to fungicide resistance in the field. The present study evaluated the activities of six fungicides against the mycelial growth by determination of EC50 values of strains collected from fields with different fungicide management programs: Rustic management (RM) without applications and Intensive management (IM) more than 25 fungicide application/year. Results showed a decreased sensitivity to all fungicides in isolates collected from IM. Means of EC50 values in mg L(-1) for RM and IM were: 13.25 ± 18.24 and 51.58 ± 46.14 for azoxystrobin, 81.40 ± 56.50 and 1.8575 ± 2.11 for carbendazim, 1.225 ± 0.945 and 10.01 ± 8.55 for propiconazole, 220 ± 67.66 vs. 368 ± 62.76 for vinclozolin, 9.862 ± 3.24 and 54.5 ± 21.08 for fludioxonil, 49.2125 ± 34.11 and 112.25 ± 51.20 for mancozeb. A molecular analysis for β-tubulin revealed a mutation at codon 198 in these strains having an EC50 greater than 10 mg L(-1) for carbendazim. Our data indicate a consistency between fungicide resistance and intensive chemical management in banana fields, however indicative values for resistance were also found in strains collected from rustic fields, suggesting that proximity among fields may be causing a fungus interchange, where rustic fields are breeding grounds for development of resistant strains. Urgent actions are required in order to avoid fungicide resistance in Mexican populations of M. fijiensis due to fungicide management practices.

A field-scale test of in situ chemical oxidation through recirculation

International Nuclear Information System (INIS)

West, O.R.; Cline, S.R.; Holden, W.L.; Gardner, F.G.; Schlosser, B.M.; Siegrist, R.L.; Houk, T.C.

1998-01-01

In situ chemical oxidation is a developing class of remediation technologies in which organic contaminants are degraded in place by powerful oxidants. Successful implementation of this technology requires an effective means for dispersing the oxidant to contaminated regions in the subsurface. An oxidant delivery technique has been developed wherein the treatment solution is made by adding an oxidant to extracted groundwater. The oxidant-laden groundwater is then injected and recirculated into a contaminated aquifer through multiple horizontal and/or vertical wells. This technique, referred to as in situ chemical oxidation through recirculation (ISCOR), can be applied to saturated and hydraulically conductive formations and used with relatively stable oxidants such as potassium permanganate (KMnO 4 ). A field-scale test of ISCOR was conducted at a site (Portsmouth Gaseous Diffusion Plant) where groundwater in a 5-ft thick silty gravel aquifer is contaminated with trichloroethylene (TCE) at levels that indicate the presence of residual dense non-aqueous phase liquids (DNAPLs). The field test was implemented using a pair of parallel horizontal wells with 200-ft screened sections. For approximately one month, groundwater was extracted from one horizontal well, dosed with crystalline KMnO 4 , and re-injected into the other horizontal well 90 ft away. Post-treatment characterization showed that ISCOR was effective at removing TCE in the saturated region. Lateral and vertical heterogeneities within the treatment zone impacted the uniform delivery of the oxidant solution. However, TCE was not detected in groundwater samples collected from monitoring wells and soil samples from borings in locations where the oxidant had permeated

Radiated flow of chemically reacting nanoliquid with an induced magnetic field across a permeable vertical plate

Directory of Open Access Journals (Sweden)

B. Mahanthesh

Full Text Available Impact of induced magnetic field over a flat porous plate by utilizing incompressible water-copper nanoliquid is examined analytically. Flow is supposed to be laminar, steady and two-dimensional. The plate is subjected to a regular free stream velocity as well as suction velocity. Flow formulation is developed by considering Maxwell–Garnetts (MG and Brinkman models of nanoliquid. Impacts of thermal radiation, viscous dissipation, temperature dependent heat source/sink and first order chemical reaction are also retained. The subjected non-linear problems are non-dimensionalized and analytic solutions are presented via series expansion method. The graphs are plotted to analyze the influence of pertinent parameters on flow, magnetism, heat and mass transfer fields as well as friction factor, current density, Nusselt and Sherwood numbers. It is found that friction factor at the plate is more for larger magnetic Prandtl number. Also the rate of heat transfer decayed with increasing nanoparticles volume fraction and the strength of magnetism. Keywords: Induced magnetic field, Nanoliquids, Heat source/sink, Series expansion method, Chemical reaction, Thermal radiation

Chemical sensors based on surface charge transfer

Science.gov (United States)

Mohtasebi, Amirmasoud; Kruse, Peter

2018-02-01

The focus of this review is an introduction to chemiresistive chemical sensors. The general concept of chemical sensors is briefly introduced, followed by different architectures of chemiresistive sensors and relevant materials. For several of the most common systems, the fabrication of the active materials used in such sensors and their properties are discussed. Furthermore, the sensing mechanism, advantages, and limitations of each group of chemiresistive sensors are briefly elaborated. Compared to electrochemical sensors, chemiresistive sensors have the key advantage of a simpler geometry, eliminating the need for a reference electrode. The performance of bulk chemiresistors can be improved upon by using freestanding ultra-thin films (nanomaterials) or field effect geometries. Both of those concepts have also been combined in a gateless geometry, where charge transport though a percolation network of nanomaterials is modulated via adsorbate doping.

Extraction and derivatization of chemical weapons convention relevant aminoalcohols on magnetic cation-exchange resins.

Science.gov (United States)

Singh, Varoon; Garg, Prabhat; Chinthakindi, Sridhar; Tak, Vijay; Dubey, Devendra Kumar

2014-02-14

Analysis and identification of nitrogen containing aminoalcohols is an integral part of the verification analysis of chemical weapons convention (CWC). This study was aimed to develop extraction and derivatization of aminoalcohols of CWC relevance by using magnetic dispersive solid-phase extraction (MDSPE) in combination with on-resin derivatization (ORD). For this purpose, sulfonated magnetic cation-exchange resins (SMRs) were prepared using magnetite nanoparticles as core, styrene and divinylbenzene as polymer coat and sulfonic acid as acidic cation exchanger. SMRs were successfully employed as extractant for targeted basic analytes. Adsorbed analytes were derivatized with hexamethyldisilazane (HMDS) on the surface of extractant. Derivatized (silylated) compounds were analyzed by GC-MS in SIM and full scan mode. The linearity of the method ranged from 5 to 200ngmL(-1). The LOD and LOQ ranged from 2 to 6ngmL(-1) and 5 to 19ngmL(-1) respectively. The relative standard deviation for intra-day repeatability and inter-day intermediate precision ranged from 5.1% to 6.6% and 0.2% to 7.6% respectively. Recoveries of analytes from spiked water samples from different sources varied from 28.4% to 89.3%. Copyright © 2014 Elsevier B.V. All rights reserved.

Electromagnetic fields and the issue of biological effects from a chemical-physical perspective; Elektromagnetiska faelt ('EMF') och fraagan om biologiska effekter utifraan ett kemiskt-fysikaliskt perspektiv

Energy Technology Data Exchange (ETDEWEB)

Cedervall, Bjoern (Unit of Med. Radiation Physics and Med. Radiation Biology, Dept. Oncology and Pathology, Karolinska Inst., Stockholm (Sweden))

2009-06-15

The question of whether electric and/or magnetic fields in various respects are dangerous or not is of interdisciplinary character. That high electric or magnetic fields may give rise to dangerous currents is well known. More controversial is the topic of genotoxic effects, i.e. effects which have their origin in changes in DNA or effects on other parts of the molecular machinery of the cell and which if extended could result is some form of disease (e.g. neurological disorders). One may see this as a chain of possible events according to: 'Exposure->antenna->interaction between EMF and atoms or molecules->molecular biology/biochemistry->->disease'. The topics that have been discussed in this report have often been neglected but may shed light on the complexity of relevant laboratory experiments and theoretical interpretations. This report includes: descriptions of an exposure, what is meant by dose, what is relevant from a molecular aspect at various frequency ranges, thermal and non-thermal effects respectively, and ferromagnetic particles as a contaminant in the laboratory environment as well as in Nature. One way of approaching the scientific questions is to analyze the energy density of electric and magnetic fields and then put these into the context of the natural environment in single cells or whole individuals. Of particular interest is the order of magnitude for forces and energies as they occur naturally in cells (e.g. for pulling apart chromosomes during cell division). As is clear from the corresponding sections of this report, it seems improbable that EMF can break chemical bonds (and thereby cause DNA strand breaks) if we restrict ourselves to EMF contexts of daily exposures in the home or most workplaces. DNA damage is generally classified into half a dozen major categories. Among these damage categories the DNA double-strand breaks are considered to be among the most severe as these may give rise to mutations, chromosomal aberrations

Indian Chemical Engineering Congress 1995: 48th annual session of Indian Institute of Chemical Engineers: abstracts and invited lectures

International Nuclear Information System (INIS)

1995-01-01

The 48th Annual Session of Indian Institute of Chemical Engineers was held in Kalpakkam during December 27-30, 1995. The book contains the proceeding of the conference, both abstracts and invited lectures. The topics covered included various aspects pertaining to chemical engineering and technology along with the chemical and engineering processes relevant to nuclear fuel cycle like uranium ore processing, fuel fabrication, reactor operation, fuel reprocessing and radioactive waste management. Papers relevant to INIS are indexed separately

High yield fabrication of chemically reduced graphene oxide field effect transistors by dielectrophoresis

International Nuclear Information System (INIS)

Joung, Daeha; Chunder, A; Zhai, Lei; Khondaker, Saiful I

2010-01-01

We demonstrate high yield fabrication of field effect transistors (FET) using chemically reduced graphene oxide (RGO) sheets. The RGO sheets suspended in water were assembled between prefabricated gold source and drain electrodes using ac dielectrophoresis. With the application of a backgate voltage, 60% of the devices showed p-type FET behavior, while the remaining 40% showed ambipolar behavior. After mild thermal annealing at 200 deg. C, all ambipolar RGO FET remained ambipolar with increased hole and electron mobility, while 60% of the p-type RGO devices were transformed to ambipolar. The maximum hole and electron mobilities of the devices were 4.0 and 1.5 cm 2 V -1 s -1 respectively. High yield assembly of chemically derived RGO FET will have significant impact in scaled up fabrication of graphene based nanoelectronic devices.

Quantum mechanical model for the anticarcinogenic effect of extremely-low-frequency electromagnetic fields on early chemical hepatocarcinogenesis

Science.gov (United States)

Godina-Nava, Juan José; Torres-Vega, Gabino; López-Riquelme, Germán Octavio; López-Sandoval, Eduardo; Samana, Arturo Rodolfo; García Velasco, Fermín; Hernández-Aguilar, Claudia; Domínguez-Pacheco, Arturo

2017-02-01

Using the conventional Haberkorn approach, it is evaluated the recombination of the radical pair (RP) singlet spin state to study theoretically the cytoprotective effect of an extremely-low-frequency electromagnetic field (ELF-EMF) on early stages of hepatic cancer chemically induced in rats. The proposal is that ELF-EMF modulates the interconversion rate of singlet and triplet spin states of the RP populations modifying the products from the metabolization of carcinogens. Previously, we found that the daily treatment with ELF-EMF 120 Hz inhibited the number and area of preneoplastic lesions in chemical carcinogenesis. The singlet spin population is evaluated diagonalizing the spin density matrix through the Lanczos method in a radical pair mechanism (RPM). Using four values of the interchange energy, we have studied the variations over the singlet population. The low magnetic field effect as a test of the influence over the enzymatic chemical reaction is evaluated calculating the quantum yield. Through a bootstrap technique the range is found for the singlet decay rate for the process. Applying the quantum measurements concept, we addressed the impact toward hepatic cells. The result contributes to improving our understanding of the chemical carcinogenesis process affected by charged particles that damage the DNA.

Chemical management in fungicide sensivity of Mycosphaerella fijiensis collected from banana fields in México

Science.gov (United States)

Aguilar-Barragan, Alejandra; García-Torres, Ana Elisa; Odriozola-Casas, Olga; Macedo-Raygoza, Gloria; Ogura, Tetsuya; Manzo-Sánchez, Gilberto; James, Andrew C.; Islas-Flores, Ignacio; Beltrán-García, Miguel J.

2014-01-01

The chemical management of the black leaf streak disease in banana caused by Mycosphaerella fijiensis (Morelet) requires numerous applications of fungicides per year. However this has led to fungicide resistance in the field. The present study evaluated the activities of six fungicides against the mycelial growth by determination of EC50 values of strains collected from fields with different fungicide management programs: Rustic management (RM) without applications and Intensive management (IM) more than 25 fungicide application/year. Results showed a decreased sensitivity to all fungicides in isolates collected from IM. Means of EC50 values in mg L−1 for RM and IM were: 13.25 ± 18.24 and 51.58 ± 46.14 for azoxystrobin, 81.40 ± 56.50 and 1.8575 ± 2.11 for carbendazim, 1.225 ± 0.945 and 10.01 ± 8.55 for propiconazole, 220 ± 67.66 vs. 368 ± 62.76 for vinclozolin, 9.862 ± 3.24 and 54.5 ± 21.08 for fludioxonil, 49.2125 ± 34.11 and 112.25 ± 51.20 for mancozeb. A molecular analysis for β-tubulin revealed a mutation at codon 198 in these strains having an EC50 greater than 10 mg L−1 for carbendazim. Our data indicate a consistency between fungicide resistance and intensive chemical management in banana fields, however indicative values for resistance were also found in strains collected from rustic fields, suggesting that proximity among fields may be causing a fungus interchange, where rustic fields are breeding grounds for development of resistant strains. Urgent actions are required in order to avoid fungicide resistance in Mexican populations of M. fijiensis due to fungicide management practices. PMID:24948956

Chemical management in fungicide sensivity of Mycosphaerella fijiensis collected from banana fields in México

Directory of Open Access Journals (Sweden)

Alejandra Aguilar-Barragan

2014-01-01

Full Text Available The chemical management of the black leaf streak disease in banana caused by Mycosphaerella fijiensis (Morelet requires numerous applications of fungicides per year. However this has led to fungicide resistance in the field. The present study evaluated the activities of six fungicides against the mycelial growth by determination of EC50 values of strains collected from fields with different fungicide management programs: Rustic management (RM without applications and Intensive management (IM more than 25 fungicide application/year. Results showed a decreased sensitivity to all fungicides in isolates collected from IM. Means of EC50 values in mg L-1 for RM and IM were: 13.25 ± 18.24 and 51.58 ± 46.14 for azoxystrobin, 81.40 ± 56.50 and 1.8575 ± 2.11 for carbendazim, 1.225 ± 0.945 and 10.01 ± 8.55 for propiconazole, 220 ± 67.66 vs. 368 ± 62.76 for vinclozolin, 9.862 ± 3.24 and 54.5 ± 21.08 for fludioxonil, 49.2125 ± 34.11 and 112.25 ± 51.20 for mancozeb. A molecular analysis for β-tubulin revealed a mutation at codon 198 in these strains having an EC50 greater than 10 mg L-1 for carbendazim. Our data indicate a consistency between fungicide resistance and intensive chemical management in banana fields, however indicative values for resistance were also found in strains collected from rustic fields, suggesting that proximity among fields may be causing a fungus interchange, where rustic fields are breeding grounds for development of resistant strains. Urgent actions are required in order to avoid fungicide resistance in Mexican populations of M. fijiensis due to fungicide management practices.

Fabrication of Chemically Doped, High Upper Critical Field Magnesium Diboride Superconducting Wires

Energy Technology Data Exchange (ETDEWEB)

Marzik, James, V.

2005-10-13

Controlled chemical doping of magnesium diboride (MgB2) has been shown to substantially improve its superconducting properties to the levels required for high field magnets, but the doping is difficult to accomplish through the usual route of solid state reaction and diffusion. Further, superconducting cables of MgB2 are difficult to fabricate because of the friable nature of the material. In this Phase I STTR project, doped and undoped boron fibers were made by chemical vapor deposition (CVD). Several >100m long batches of doped and undoped fiber were made by CVD codeposition of boron plus dopants. Bundles of these fibers infiltrated with liquid magnesium and subsequently converted to MgB2 to form Mg-MgB2 metal matrix composites. In a parallel path, doped boron nano-sized powder was produced by a plasma synthesis technique, reacted with magnesium to produce doped MgB2 superconducting ceramic bodies. The doped powder was also fabricated into superconducting wires several meters long. The doped boron fibers and powders made in this program were fabricated into fiber-metal composites and powder-metal composites by a liquid metal infiltration technique. The kinetics of the reaction between boron fiber and magnesium metal was investigated in fiber-metal composites. It was found that the presence of dopants had significantly slowed the reaction between magnesium and boron. The superconducting properties were measured for MgB2 fibers and MgB2 powders made by liquid metal infiltration. Properties of MgB2 products (Jc, Hc2) from Phase I are among the highest reported to date for MgB2 bulk superconductors. Chemically doped MgB2 superconducting magnets can perform at least as well as NbTi and NbSn3 in high magnetic fields and still offer an improvement over the latter two in terms of operating temperature. These characteristics make doped MgB2 an effective material for high magnetic field applications, such as magnetic confined fusion, and medical MRI devices. Developing

Fabrication of Chemically Doped, High Upper Critical Field Magnesium Diboride Superconducting Wires

International Nuclear Information System (INIS)

Marzik, James V.

2005-01-01

Controlled chemical doping of magnesium diboride (MgB2) has been shown to substantially improve its superconducting properties to the levels required for high field magnets, but the doping is difficult to accomplish through the usual route of solid state reaction and diffusion. Further, superconducting cables of MgB2 are difficult to fabricate because of the friable nature of the material. In this Phase I STTR project, doped and undoped boron fibers were made by chemical vapor deposition (CVD). Several >100m long batches of doped and undoped fiber were made by CVD codeposition of boron plus dopants. Bundles of these fibers infiltrated with liquid magnesium and subsequently converted to MgB2 to form Mg-MgB2 metal matrix composites. In a parallel path, doped boron nano-sized powder was produced by a plasma synthesis technique, reacted with magnesium to produce doped MgB2 superconducting ceramic bodies. The doped powder was also fabricated into superconducting wires several meters long. The doped boron fibers and powders made in this program were fabricated into fiber-metal composites and powder-metal composites by a liquid metal infiltration technique. The kinetics of the reaction between boron fiber and magnesium metal was investigated in fiber-metal composites. It was found that the presence of dopants had significantly slowed the reaction between magnesium and boron. The superconducting properties were measured for MgB2 fibers and MgB2 powders made by liquid metal infiltration. Properties of MgB2 products (Jc, Hc2) from Phase I are among the highest reported to date for MgB2 bulk superconductors. Chemically doped MgB2 superconducting magnets can perform at least as well as NbTi and NbSn3 in high magnetic fields and still offer an improvement over the latter two in terms of operating temperature. These characteristics make doped MgB2 an effective material for high magnetic field applications, such as magnetic confined fusion, and medical MRI devices. Developing

Jorge A. Swieca's contributions to quantum field theory in the 60s and 70s and their relevance in present research

Energy Technology Data Exchange (ETDEWEB)

Schroer, Bert [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Freie Universitaet, Berlin (Germany). Inst. fuer Theoretische Physik

2010-02-15

After revisiting some high points of particle physics and QFT of the two decades from 1960 to 1980, I comment on the work by Jorge Andre Swieca. I explain how it fits into the quantum field theory during these two decades and draw attention to its relevance to the ongoing particle physics research. A particular aim of this article is to draw attention to the relevance of what at the time of Swieca was called 'the Schwinger Higgs screening mechanism'. which, together with recent ideas which generalize the concept of gauge theories, have all the ingredients to revolutionize the issue of gauge theories and the standard model. (author)

Jorge A. Swieca's contributions to quantum field theory in the 60's and 70's and their relevance in present research

International Nuclear Information System (INIS)

Schroer, Bert

2010-01-01

After revisiting some high points of particle physics and QFT of the two decades from 1960 to 1980, I comment on the work by Jorge Andre Swieca. I explain how it fits into the quantum field theory during these two decades and draw attention to its relevance to the ongoing particle physics research. A particular aim of this article is to draw attention to the relevance of what at the time of Swieca was called t he Schwinger Higgs screening mechanism . which, together with recent ideas which generalize the concept of gauge theories, have all the ingredients to revolutionize the issue of gauge theories and the standard model. (author)

Jorge A. Swieca's contributions to quantum field theory in the 60s and 70s and their relevance in present research

International Nuclear Information System (INIS)

Schroer, Bert; Freie Universitaet, Berlin

2010-02-01

After revisiting some high points of particle physics and QFT of the two decades from 1960 to 1980, I comment on the work by Jorge Andre Swieca. I explain how it fits into the quantum field theory during these two decades and draw attention to its relevance to the ongoing particle physics research. A particular aim of this article is to draw attention to the relevance of what at the time of Swieca was called 'the Schwinger Higgs screening mechanism'. which, together with recent ideas which generalize the concept of gauge theories, have all the ingredients to revolutionize the issue of gauge theories and the standard model. (author)

Chemical Analysis of Whale Breath Volatiles: A Case Study for Non-Invasive Field Health Diagnostics of Marine Mammals

Directory of Open Access Journals (Sweden)

Raquel Cumeras

2014-09-01

Full Text Available We explored the feasibility of collecting exhaled breath from a moribund gray whale (Eschrichtius robustus for potential non-invasive health monitoring of marine mammals. Biogenic volatile organic compound (VOC profiling is a relatively new field of research, in which the chemical composition of breath is used to non-invasively assess the health and physiological processes on-going within an animal or human. In this study, two telescopic sampling poles were designed and tested with the primary aim of collecting whale breath exhalations (WBEs. Once the WBEs were successfully collected, they were immediately transferred onto a stable matrix sorbent through a custom manifold system. A total of two large volume WBEs were successfully captured and pre-concentrated onto two Tenax®-TA traps (one exhalation per trap. The samples were then returned to the laboratory where they were analyzed using solid phase micro extraction (SPME and gas chromatography/mass spectrometry (GC/MS. A total of 70 chemicals were identified (58 positively identified in the whale breath samples. These chemicals were also matched against a database of VOCs found in humans, and 44% of chemicals found in the whale breath are also released by healthy humans. The exhaled gray whale breath showed a rich diversity of chemicals, indicating the analysis of whale breath exhalations is a promising new field of research.

Chemical analysis of whale breath volatiles: a case study for non-invasive field health diagnostics of marine mammals.

Science.gov (United States)

Cumeras, Raquel; Cheung, William H K; Gulland, Frances; Goley, Dawn; Davis, Cristina E

2014-09-12

We explored the feasibility of collecting exhaled breath from a moribund gray whale (Eschrichtius robustus) for potential non-invasive health monitoring of marine mammals. Biogenic volatile organic compound (VOC) profiling is a relatively new field of research, in which the chemical composition of breath is used to non-invasively assess the health and physiological processes on-going within an animal or human. In this study, two telescopic sampling poles were designed and tested with the primary aim of collecting whale breath exhalations (WBEs). Once the WBEs were successfully collected, they were immediately transferred onto a stable matrix sorbent through a custom manifold system. A total of two large volume WBEs were successfully captured and pre-concentrated onto two Tenax®-TA traps (one exhalation per trap). The samples were then returned to the laboratory where they were analyzed using solid phase micro extraction (SPME) and gas chromatography/mass spectrometry (GC/MS). A total of 70 chemicals were identified (58 positively identified) in the whale breath samples. These chemicals were also matched against a database of VOCs found in humans, and 44% of chemicals found in the whale breath are also released by healthy humans. The exhaled gray whale breath showed a rich diversity of chemicals, indicating the analysis of whale breath exhalations is a promising new field of research.

High-resolution nuclear magnetic resonance measurements in inhomogeneous magnetic fields: A fast two-dimensional J-resolved experiment

Energy Technology Data Exchange (ETDEWEB)

Huang, Yuqing; Cai, Shuhui; Yang, Yu; Sun, Huijun; Lin, Yanqin, E-mail: linyq@xmu.edu.cn, E-mail: chenz@xmu.edu.cn; Chen, Zhong, E-mail: linyq@xmu.edu.cn, E-mail: chenz@xmu.edu.cn [Department of Electronic Science, Fujian Provincial Key Laboratory of Plasma and Magnetic Resonance, State Key Laboratory for Physical Chemistry of Solid Surfaces, Xiamen University, Xiamen 361005 (China); Lin, Yung-Ya [Department of Chemistry and Biochemistry, University of California, Los Angeles, California 90095 (United States)

2016-03-14

High spectral resolution in nuclear magnetic resonance (NMR) is a prerequisite for achieving accurate information relevant to molecular structures and composition assignments. The continuous development of superconducting magnets guarantees strong and homogeneous static magnetic fields for satisfactory spectral resolution. However, there exist circumstances, such as measurements on biological tissues and heterogeneous chemical samples, where the field homogeneity is degraded and spectral line broadening seems inevitable. Here we propose an NMR method, named intermolecular zero-quantum coherence J-resolved spectroscopy (iZQC-JRES), to face the challenge of field inhomogeneity and obtain desired high-resolution two-dimensional J-resolved spectra with fast acquisition. Theoretical analyses for this method are given according to the intermolecular multiple-quantum coherence treatment. Experiments on (a) a simple chemical solution and (b) an aqueous solution of mixed metabolites under externally deshimmed fields, and on (c) a table grape sample with intrinsic field inhomogeneity from magnetic susceptibility variations demonstrate the feasibility and applicability of the iZQC-JRES method. The application of this method to inhomogeneous chemical and biological samples, maybe in vivo samples, appears promising.

Enhancing the design of in situ chemical barriers with multicomponent reactive transport modeling

International Nuclear Information System (INIS)

Sevougian, S.D.; Steefel, C.I.; Yabusaki, S.B.

1994-11-01

This paper addresses the need for systematic control of field-scale performance in the emplacement and operation of in situ chemical treatment barriers; in particular, it addresses the issue of how the local coupling of reaction kinetics and material heterogeneities at the laboratory or bench scale can be accurately upscaled to the field. The authors have recently developed modeling analysis tools that can explicitly account for all relevant chemical reactions that accompany the transport of reagents and contaminants through a chemically and physically heterogeneous subsurface rock or soil matrix. These tools are incorporated into an enhanced design methodology for in situ chemical treatment technologies, and the new methodology is demonstrated in the ongoing design of a field experiment for the In Situ Redox Manipulation (ISRM) project at the U.S. Department of Energy (DOE) Hanford Site. The ISRM design approach, which systematically integrates bench-scale and site characterization information, provides an ideal test for the new reactive transport techniques. The need for the enhanced chemistry capability is demonstrated by an example that shows how intra-aqueous redox kinetics can affect the transport of reactive solutes. Simulations are carried out on massively parallel computer architectures to resolve the influence of multiscale heterogeneities on multicomponent, multidimensional reactive transport. The technology will soon be available to design larger-scale remediation schemes

In Silico Prediction of Toxicokinetic Parameters for Environmentally Relevant Chemicals for Risk-Based Prioritization

Science.gov (United States)

Toxicokinetic (TK) models can address an important component of chemical risk assessments by helping bridge the gap between chemical exposure and measured toxicity endpoints. The metabolic clearance rate (CLint) and fraction of a chemical unbound by plasma proteins (Fub) are crit...

Using chemical benchmarking to determine the persistence of chemicals in a Swedish lake.

Science.gov (United States)

Zou, Hongyan; Radke, Michael; Kierkegaard, Amelie; MacLeod, Matthew; McLachlan, Michael S

2015-02-03

It is challenging to measure the persistence of chemicals under field conditions. In this work, two approaches for measuring persistence in the field were compared: the chemical mass balance approach, and a novel chemical benchmarking approach. Ten pharmaceuticals, an X-ray contrast agent, and an artificial sweetener were studied in a Swedish lake. Acesulfame K was selected as a benchmark to quantify persistence using the chemical benchmarking approach. The 95% confidence intervals of the half-life for transformation in the lake system ranged from 780-5700 days for carbamazepine to benchmarking approach agreed well with those from the mass balance approach (1-21% difference), indicating that chemical benchmarking can be a valid and useful method to measure the persistence of chemicals under field conditions. Compared to the mass balance approach, the benchmarking approach partially or completely eliminates the need to quantify mass flow of chemicals, so it is particularly advantageous when the quantification of mass flow of chemicals is difficult. Furthermore, the benchmarking approach allows for ready comparison and ranking of the persistence of different chemicals.

The landsnail Cepaea nemoralis regulates internal Cd levels when fed on Cd-enriched stinging nettle (Urtica dioica) leaves at low, field-relevant concentrations.

NARCIS (Netherlands)

Notten, M.J.M.; Oosthoek, A.; Rozema, J.; Aerts, R.

2006-01-01

We studied Cd accumulation in Cepaea nemoralis snails at low, but field-relevant Cd concentrations in the diet (Urtica dioica leaves). Six treatments of U. dioica plants were grown, resulting in leaf Cd concentrations between 0 and 2.6 μg g

ANALYSIS OF THE MANAGEMENT SYSTEM IN THE FIELD OF ENVIRONMENTAL PROTECTION OF RUSSIAN CHEMICAL COMPANIES

Directory of Open Access Journals (Sweden)

Anna Makarov

2018-03-01

Full Text Available Since 2007, many chemical industrial companies in the Russian Federation have been actively involved in the Responsible Care® international voluntary program. To implement this program, vast bodies of data on environmental impact assessments needs to be collected. This allows us to analyse the environment-oriented trends in economic and social activities, and to record the achievements and problems in this field. The collected large bodies of data are in many cases heterogeneous, since the report has been a voluntary initiative. To analyse the existing trends in business processes, authors applied the methodology for system analysis of large bodies of data and used their own heuristic approximation algorithm for the treatment of accumulated data. This algorithm gives us the unique possibility of evaluating the performance of both individual chemical companies in the framework of the Responsible Care® program and the Russian chemical industry as a whole.

Interaction between benzenedithiolate and gold: Classical force field for chemical bonding

Science.gov (United States)

Leng, Yongsheng; Krstić, Predrag S.; Wells, Jack C.; Cummings, Peter T.; Dean, David J.

2005-06-01

We have constructed a group of classical potentials based on ab initio density-functional theory (DFT) calculations to describe the chemical bonding between benzenedithiolate (BDT) molecule and gold atoms, including bond stretching, bond angle bending, and dihedral angle torsion involved at the interface between the molecule and gold clusters. Three DFT functionals, local-density approximation (LDA), PBE0, and X3LYP, have been implemented to calculate single point energies (SPE) for a large number of molecular configurations of BDT-1, 2 Au complexes. The three DFT methods yield similar bonding curves. The variations of atomic charges from Mulliken population analysis within the molecule/metal complex versus different molecular configurations have been investigated in detail. We found that, except for bonded atoms in BDT-1, 2 Au complexes, the Mulliken partial charges of other atoms in BDT are quite stable, which significantly reduces the uncertainty in partial charge selections in classical molecular simulations. Molecular-dynamics (MD) simulations are performed to investigate the structure of BDT self-assembled monolayer (SAM) and the adsorption geometry of S adatoms on Au (111) surface. We found that the bond-stretching potential is the most dominant part in chemical bonding. Whereas the local bonding geometry of BDT molecular configuration may depend on the DFT functional used, the global packing structure of BDT SAM is quite independent of DFT functional, even though the uncertainty of some force-field parameters for chemical bonding can be as large as ˜100%. This indicates that the intermolecular interactions play a dominant role in determining the BDT SAMs global packing structure.

Comparison of Chemical Compositions in Pseudostellariae Radix from Different Cultivated Fields and Germplasms by NMR-Based Metabolomics

Directory of Open Access Journals (Sweden)

Yujiao Hua

2016-11-01

Full Text Available Pseudostellariae Radix (PR is an important traditional Chinese medicine (TCM, which is consumed commonly for its positive health effects. However, the chemical differences of PR from different cultivated fields and germplasms are still unknown. In order to comprehensively compare the chemical compositions of PR from different cultivated fields, in this study, 1H-NMR-based metabolomics coupled with high performance liquid chromatography (HPLC were used to investigate the different metabolites in PR from five germplasms (jr, zs1, zs2, sb, and xc cultivated in traditional fields (Jurong, Jiangsu, JSJR and cultivated fields (Zherong, Fujian, FJZR. A total of 34 metabolites were identified based on 1H-NMR data, and fourteen of them were found to be different in PR from JSJR and FJZR. The relative contents of alanine, lactate, lysine, taurine, sucrose, tyrosine, linolenic acid, γ-aminobutyrate, and hyperoside in PR from JSJR were higher than that in PR from FJZR, while PR from FJZR contained higher levels of glutamine, raffinose, xylose, unsaturated fatty acid, and formic acid. The contents of Heterophyllin A and Heterophyllin B were higher in PR from FJZR. This study will provide the basic information for exploring the influence law of ecological environment and germplasm genetic variation on metabolite biosynthesis of PR and its quality formation mechanism.

Application of Solid Phase Microextraction Coupled with Gas Chromatography/Mass Spectrometry as a Rapid Method for Field Sampling and Analysis of Chemical Warfare Agents and Toxic Industrial Chemicals

National Research Council Canada - National Science Library

Hook, Gary L

2003-01-01

..., is: What chemicals are present? In order to answer this question rapidly, there is increasing demand for field analysis of volatile and semi-volatile organic compounds with instrumentation that provides definitive identification...

Field studies on long term ecosystem consequences of ionising radiation and chemical pollutants (EANOR Project)

Energy Technology Data Exchange (ETDEWEB)

Oughton, D. [Centre for Environmental Radioactivity - CERAD (Norway); Evseeva, T. [Institute of Biology RAS (Russian Federation); Erenturk, S. [Istanbul Technical University (Turkey)

2014-07-01

Chernobyl and other nuclear accidents have demonstrated that high levels of ionizing radiation can result in impacts on plants and animals, however little is known about the long-term effects of chronic exposure on biodiversity or other population and ecosystem level effects. The issue of ecological impact has been addressed after the Fukushima accident, which has raised questions about the impacts of radioactivity not only on human health, but also on wildlife. The overall aim of the EANOR project (2012-2015) is to assess the impacts of chronic exposure to enhanced radioactivity and chemical pollutants by studying the diversity of plant and soil invertebrate populations at two field sites. The first is a radium contaminated site in the Vodny area of the Komi Republic, Russia. Between 1931 and 1956, this was the main location of Soviet radium production. Wastes from the industry caused contamination of the environment, leading to high levels of radionuclides, heavy metals and rare-earth elements in the surroundings. The prolonged exposure of the ecosystem, combined with relatively low human activities, makes the site an excellent field laboratory for investigating the long-term effects of pollution. The second site is metal mining (Fe, Au, Ag, Mn, Mo, Cu, Pb and Zn) and industrial area on the Eastern Black Sea Region, Turkey, having elevated levels of both heavy metals and radionuclides for many decades. Eastern Black Sea Region is a mountainous area covered with dense forests, where numerous rivers and torrents flow through gorges and is characterized by heavy rainfall, humid summers, and mild winters. Based on these conditions, the region is rich in biological diversity. Joint field expeditions have been carried out in 2012 and 2013 with the objective of documenting levels of radionuclides and other chemical contaminants in soils and organisms, and assessing plant and soil invertebrate biodiversity. Measurement of a range of biomarkers, including soil meta

Field sampling for monitoring migration and defining the areal extent of chemical contamination

International Nuclear Information System (INIS)

Thomas, J.M.; Skalski, J.R.; Eberhardt, L.L.; Simmons, M.A.

1984-11-01

Initial research on compositing, field designs, and site mapping oriented toward detecting spills and migration at commercial low-level radioactive or chemical waste sites is summarized. Results indicate that the significance test developed to detect samples containing high levels of contamination when they are mixed with several other samples below detectable limits (composites), will be highly effective with large sample sizes when contaminant levels frequently or greatly exceed a maximum acceptable level. These conditions of frequent and high contaminant levels are most likely to occur in regions of a commercial waste site where the priors (previous knowledge) about a spill or migration are highest. Conversely, initial investigations of Bayes sampling strategies suggest that field sampling efforts should be inversely proportional to the priors (expressed as probabilities) for the occurrence of contamination

The effect of nozzle location on the concentration profiles in chemical addition tank

International Nuclear Information System (INIS)

Park, B. H.; Kim, E. K.; Ro, T. S.; Lee, C. H.

2001-01-01

A numerical analysis of the flow and injection characteristics is performed for the flow field created by water injected into a cylindrical tank with an initially stationary fluid. The flow is relevant to the operation of the chemical addition system in the chemical and volume control system( CVCS) of nuclear power plants. This study is performed to improve the current design which has a disk block inside tank. The numerical analysis for the flow and injection characteristics in chemical addition tank are carried out using CFD code FLUENT 5. Results show that the inlet nozzle installed in tangential direction at the uppermost region of the tank cylinder and the outlet nozzle located at the center of the tank bottom is very effective in enhancing the injection in the tank

Chemical warfare agents

Directory of Open Access Journals (Sweden)

Vijayaraghavan R

2010-01-01

Full Text Available Among the Weapons of Mass Destruction, chemical warfare (CW is probably one of the most brutal created by mankind in comparison with biological and nuclear warfare. Chemical weapons are inexpensive and are relatively easy to produce, even by small terrorist groups, to create mass casualties with small quantities. The characteristics of various CW agents, general information relevant to current physical as well as medical protection methods, detection equipment available and decontamination techniques are discussed in this review article. A brief note on Chemical Weapons Convention is also provided.

Chemical warfare agents

Science.gov (United States)

Ganesan, K.; Raza, S. K.; Vijayaraghavan, R.

2010-01-01

Among the Weapons of Mass Destruction, chemical warfare (CW) is probably one of the most brutal created by mankind in comparison with biological and nuclear warfare. Chemical weapons are inexpensive and are relatively easy to produce, even by small terrorist groups, to create mass casualties with small quantities. The characteristics of various CW agents, general information relevant to current physical as well as medical protection methods, detection equipment available and decontamination techniques are discussed in this review article. A brief note on Chemical Weapons Convention is also provided. PMID:21829312

Chemical effects of ionizing radiation and sonic energy in the context of chemical evolution

International Nuclear Information System (INIS)

Negron Mendoza, A.; Albarran, G.

1992-01-01

Ionizing radiation and sonic energy are considered as sources for chemical evolution processes. These sources have still a modest place in the interdisciplinary approach for the prebiological synthesis of organic compounds. Studies in Radiation Chemistry and Sonochemistry can provide a deeper insight into the chemical processes that may have importance for prebiotic chemistry. The present work concerns the analysis of some chemical reactions induced by ionizing radiation or cavitation in aqueous media that may be relevant to chemical evolution studies. (author)

Calibration and field evaluation of polar organic chemical integrative sampler (POCIS) for monitoring pharmaceuticals in hospital wastewater

International Nuclear Information System (INIS)

Bailly, Emilie; Levi, Yves; Karolak, Sara

2013-01-01

The Polar Organic Chemical Integrative Sampler (POCIS) is a new tool for the sampling of organic pollutants in water. We tested this device for the monitoring of pharmaceuticals in hospital wastewater. After calibration, a field application was carried out in a French hospital for six pharmaceutical compounds (Atenolol, Prednisolone, Methylprednisolone, Sulfamethoxazole, Ofloxacin, Ketoprofen). POCIS were calibrated in tap water and wastewater in laboratory conditions close to relevant environmental conditions (temperature, flow velocity). Sampling rates (R s ) were determined and we observed a significant increase with flow velocity and temperature. Whatever the compound, the R s value was lower in wastewater and the linear phase of uptake was shorter. POCIS were deployed in a hospital sewage pipe during four days and the estimated water concentrations were close to those obtained with twenty-four hour composite samples. -- Highlights: ► Calibration of POCIS for the monitoring of pharmaceuticals in hospital wastewater. ► Uptake profile presents a shorter linear phase in wastewater than in tap water. ► Influence of R s values by temperature, flow velocity and bio-fouling. ► Correlation between concentrations estimated from POCIS or measured in TWA samples. ► Deployment period should be no longer than five days. -- After calibration in tap water and hospital wastewater, POCIS were used to monitor pharmaceuticals in hospital sewage and were compared to TWA sampling

Exploring liquid metal plasma facing component (PFC) concepts-Liquid metal film flow behavior under fusion relevant magnetic fields

International Nuclear Information System (INIS)

Narula, M.; Abdou, M.A.; Ying, A.; Morley, N.B.; Ni, M.; Miraghaie, R.; Burris, J.

2006-01-01

The use of fast moving liquid metal streams or 'liquid walls' as a plasma contact surface is a very attractive option and has been looked upon with considerable interest over the past several years, both by the plasma physics and fusion engineering programs. Flowing liquid walls provide an ever replenishing contact surface to the plasma, leading to very effective particle pumping and surface heat flux removal. A key feasibility issue for flowing liquid metal plasma facing component (PFC) systems, pertains to their magnetohydrodynamic (MHD) behavior under the spatially varying magnetic field environment, typical of a fusion device. MHD forces hinder the development of a smooth and controllable liquid metal flow needed for PFC applications. The present study builds up on the ongoing research effort at UCLA, directed towards providing qualitative and quantitative data on liquid metal free surface flow behavior under fusion relevant magnetic fields

NMR chemical shift and J coupling parameterization and quantum mechanical reference spectrum simulation for selected nerve agent degradation products in aqueous conditions.

Science.gov (United States)

Koskela, Harri; Anđelković, Boban

2017-10-01

The spectral parameters of selected nerve agent degradation products relevant to the Chemical Weapons Convention, namely, ethyl methylphosphonate, isopropyl methylphosphonate, pinacolyl methylphosphonate and methylphosphonic acid, were studied in wide range of pH conditions and selected temperatures. The pH and temperature dependence of chemical shifts and J couplings was parameterized using Henderson-Hasselbalch-based functions. The obtained parameters allowed calculation of precise chemical shifts and J coupling constants in arbitrary pH conditions and typical measurement temperatures, thus facilitating quantum mechanical simulation of reference spectra in the chosen magnetic field strength for chemical verification. Copyright © 2017 John Wiley & Sons, Ltd. Copyright © 2017 John Wiley & Sons, Ltd.

E-SovTox: An online database of the main publicly-available sources of toxicity data concerning REACH-relevant chemicals published in the Russian language.

Science.gov (United States)

Sihtmäe, Mariliis; Blinova, Irina; Aruoja, Villem; Dubourguier, Henri-Charles; Legrand, Nicolas; Kahru, Anne

2010-08-01

A new open-access online database, E-SovTox, is presented. E-SovTox provides toxicological data for substances relevant to the EU Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) system, from publicly-available Russian language data sources. The database contains information selected mainly from scientific journals published during the Soviet Union era. The main information source for this database - the journal, Gigiena Truda i Professional'nye Zabolevania [Industrial Hygiene and Occupational Diseases], published between 1957 and 1992 - features acute, but also chronic, toxicity data for numerous industrial chemicals, e.g. for rats, mice, guinea-pigs and rabbits. The main goal of the abovementioned toxicity studies was to derive the maximum allowable concentration limits for industrial chemicals in the occupational health settings of the former Soviet Union. Thus, articles featured in the database include mostly data on LD50 values, skin and eye irritation, skin sensitisation and cumulative properties. Currently, the E-SovTox database contains toxicity data selected from more than 500 papers covering more than 600 chemicals. The user is provided with the main toxicity information, as well as abstracts of these papers in Russian and in English (given as provided in the original publication). The search engine allows cross-searching of the database by the name or CAS number of the compound, and the author of the paper. The E-SovTox database can be used as a decision-support tool by researchers and regulators for the hazard assessment of chemical substances. 2010 FRAME.

A Chemically Relevant Model for Teaching the Second Law of Thermodynamics.

Science.gov (United States)

Williamson, Bryce E.; Morikawa, Tetsuo

2002-01-01

Introduces a chemical model illustrating the aspects of the second law of thermodynamics which explains concepts such as reversibility, path dependence, and extrapolation in terms of electrochemistry and calorimetry. Presents a thought experiment using an ideal galvanic electrochemical cell. (YDS)

Method for extracting relevant electrical parameters from graphene field-effect transistors using a physical model

International Nuclear Information System (INIS)

Boscá, A.; Pedrós, J.; Martínez, J.; Calle, F.

2015-01-01

Due to its intrinsic high mobility, graphene has proved to be a suitable material for high-speed electronics, where graphene field-effect transistor (GFET) has shown excellent properties. In this work, we present a method for extracting relevant electrical parameters from GFET devices using a simple electrical characterization and a model fitting. With experimental data from the device output characteristics, the method allows to calculate parameters such as the mobility, the contact resistance, and the fixed charge. Differentiated electron and hole mobilities and direct connection with intrinsic material properties are some of the key aspects of this method. Moreover, the method output values can be correlated with several issues during key fabrication steps such as the graphene growth and transfer, the lithographic steps, or the metalization processes, providing a flexible tool for quality control in GFET fabrication, as well as a valuable feedback for improving the material-growth process

Method for extracting relevant electrical parameters from graphene field-effect transistors using a physical model

Energy Technology Data Exchange (ETDEWEB)

Boscá, A., E-mail: alberto.bosca@upm.es [Instituto de Sistemas Optoelectrónicos y Microtecnología, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Dpto. de Ingeniería Electrónica, E.T.S.I. de Telecomunicación, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Pedrós, J. [Instituto de Sistemas Optoelectrónicos y Microtecnología, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Campus de Excelencia Internacional, Campus Moncloa UCM-UPM, Madrid 28040 (Spain); Martínez, J. [Instituto de Sistemas Optoelectrónicos y Microtecnología, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Dpto. de Ciencia de Materiales, E.T.S.I de Caminos, Canales y Puertos, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Calle, F. [Instituto de Sistemas Optoelectrónicos y Microtecnología, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Dpto. de Ingeniería Electrónica, E.T.S.I. de Telecomunicación, Universidad Politécnica de Madrid, Madrid 28040 (Spain); Campus de Excelencia Internacional, Campus Moncloa UCM-UPM, Madrid 28040 (Spain)

2015-01-28

Due to its intrinsic high mobility, graphene has proved to be a suitable material for high-speed electronics, where graphene field-effect transistor (GFET) has shown excellent properties. In this work, we present a method for extracting relevant electrical parameters from GFET devices using a simple electrical characterization and a model fitting. With experimental data from the device output characteristics, the method allows to calculate parameters such as the mobility, the contact resistance, and the fixed charge. Differentiated electron and hole mobilities and direct connection with intrinsic material properties are some of the key aspects of this method. Moreover, the method output values can be correlated with several issues during key fabrication steps such as the graphene growth and transfer, the lithographic steps, or the metalization processes, providing a flexible tool for quality control in GFET fabrication, as well as a valuable feedback for improving the material-growth process.

Assessing the scientific relevance of a single publication over time

Directory of Open Access Journals (Sweden)

Philipp A. Bloching

2013-09-01

Full Text Available Quantitatively assessing the scientific relevance of a research paper is challenging for two reasons. Firstly, scientific relevance may change over time, and secondly, it is unclear how to evaluate a recently published paper. The temporally averaged paper-specific impact factor is defined as the yearly average of citations to the paper until now including bonus citations equal to the journal impact factor in the publication year. This new measure subsequently allows relevance rankings and annual updates of all (i.e. both recent and older scientific papers of a department, or even a whole scientific field, on a more objective basis. It can also be used to assess both the average and overall time-dependent scientific relevance of researchers in a specific department or scientific field.

On relevant boundary perturbations of unitary minimal models

International Nuclear Information System (INIS)

Recknagel, A.; Roggenkamp, D.; Schomerus, V.

2000-01-01

We consider unitary Virasoro minimal models on the disk with Cardy boundary conditions and discuss deformations by certain relevant boundary operators, analogous to tachyon condensation in string theory. Concentrating on the least relevant boundary field, we can perform a perturbative analysis of renormalization group fixed points. We find that the systems always flow towards stable fixed points which admit no further (non-trivial) relevant perturbations. The new conformal boundary conditions are in general given by superpositions of 'pure' Cardy boundary conditions

Jorge A. Swieca's contributions to quantum field theory in the 60s and 70s and their relevance in present research

Energy Technology Data Exchange (ETDEWEB)

Schroer, Bert [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Freie Universitaet, Berlin (Germany). Inst. fuer Theoretische Physik

2010-02-15

After revisiting some high points of particle physics and QFT of the two decades from 1960 to 1980, I comment on the work by Jorge Andre Swieca. I explain how it fits into the quantum field theory during these two decades and draw attention to its relevance to the ongoing particle physics research. A particular aim of this article is to draw attention to the relevance of what at the time of Swieca was called 'the Schwinger Higgs screening mechanism'. which, together with recent ideas which generalize the concept of gauge theories, have all the ingredients to revolutionize the issue of gauge theories and the standard model. (author)

Chemical monitoring of mud products on drilled cuttings

International Nuclear Information System (INIS)

Hughes, T.L.; Jones, T.G.J.; Tomkins, P.G.; Gilmour, A.; Houwen, O.H.; Sanders, M.

1991-01-01

An increasing area of concern for offshore drilling practices in the environmental impact of discharged drilled cuttings contaminated with drilling fluids. The standard retort analysis is of limited accuracy and chemical specificity. Anticipating future requirements for a more complete accounting of mud chemicals discharged to the environment, we present here results for chemical monitoring using a modern comprehensive chemical analysis technique. Fourier transform infrared (FT-IR) spectrometry. In this paper description is given of sampling methods found to be practical and the main calibration requirements are discussed. The techniques developed in the course of this work give a good mineralogical breakdown of mud solids (commercial and drilled solids) in addition to the environmentally relevant measurements relating to mud on cuttings. The possibility of using the new technique for the rigsite monitoring of drilling cuttings is demonstrated. Cuttings samples simultaneously from the flow line, shaker screen, desilter and mud cleaner were analyzed. It is found that mud polymers and other organic additives can be measured with sufficient accuracy to measure the removal of mud products by discharged cuttings. The technique is also applicable to quantify the losses of oil-based mud on cuttings. Field testing has shown that the instrumentation used in sufficiently robust and simple to use for rig-site application

Silicon Nanowire Field-effect Chemical Sensor

NARCIS (Netherlands)

Chen, S.

2011-01-01

This thesis describes the work that has been done on the project “Design and optimization of silicon nanowire for chemical sensing‿, including Si-NW fabrication, electrical/electrochemical modeling, the application as ISFET, and the build-up of Si- NW/LOC system for automatic sample delivery. A

Effect of pulsed electric fields on microbial inactivation and physico-chemical properties of whole porcine blood.

Science.gov (United States)

Boulaaba, Annika; Egen, Nathalie; Klein, Günter

2014-04-01

The objective of this study was to determine the lethal effectiveness of pulsed electric fields on the inactivation of the porcine blood endogenous microflora. Furthermore, the impact of pulsed electric field application on physico-chemical and sensory properties in this medium should be proved. Blood samples from a commercial abattoir in Germany were processed by a continuous pilot plant-pulsed electric field system at electric field strength of 11 kV/cm for treatment times of 163 and 209 µs. The applied pulse frequencies of 134 and 175 Hz correspond to an energy input of 91 and 114 kJ/kg, respectively. In these conditions, the effectiveness of pulsed electric field processing on microbial inactivation was limited: 1.35 log10 CFU/mL reduction of total aerobic plate count (p pulsed electric field-treated blood samples. Pulsed electric field processing leads to a complete hemolysis of the red blood cells, in addition significant decreased L* (lightness), a* (redness) and b* (yellowness) values (p < 0.0001) were observed. Furthermore, changes in the sensory attributes color (changed from red to dark brown) and odor (changed from fresh to musty and tangy) were noticed.

The landsnail Cepaea nemoralis regulates internal Cd levels when fed on Cd-enriched stinging nettle (Urtica dioica) leaves at low, field-relevant concentrations

International Nuclear Information System (INIS)

Notten, M.J.M.; Oosthoek, A.J.P.; Rozema, J.; Aerts, R.

2006-01-01

We studied Cd accumulation in Cepaea nemoralis snails at low, but field-relevant Cd concentrations in the diet (Urtica dioica leaves). Six treatments of U. dioica plants were grown, resulting in leaf Cd concentrations between 0 and 2.6 μg g -1 dw. Seven snails per treatment were fed for 38 days. Leaf Cd concentrations did not affect food consumption rates, and consequently Cd intake rates increased with increasing leaf concentrations. No differences were detected among treatments in the final soft tissue Cd concentrations and body burdens in the snails. Regression analyses showed no positive relationship between either snail Cd concentrations or body burdens and total Cd intake. This suggests a regulation of internal Cd concentrations at low food Cd concentrations. Our data suggest that Cd excretion via the mucus plays a substantial role in this regulation, in addition to Cd excretion via the faeces. Snail shells were no sinks for Cd. - Cd excretion via the mucus plays a substantial role in the regulation of C. nemoralis soft tissue Cd concentrations at low, but field-relevant Cd concentrations in the food

The landsnail Cepaea nemoralis regulates internal Cd levels when fed on Cd-enriched stinging nettle (Urtica dioica) leaves at low, field-relevant concentrations

Energy Technology Data Exchange (ETDEWEB)

Notten, M.J.M. [Institute of Ecological Science, Department of Systems Ecology, Vrije Universiteit Amsterdam, De Boelelaan 1085, 1081 HV, Amsterdam (Netherlands)]. E-mail: martje.notten@ecology.falw.vu.nl; Oosthoek, A.J.P. [Institute of Ecological Science, Department of Systems Ecology, Vrije Universiteit Amsterdam, De Boelelaan 1085, 1081 HV, Amsterdam (Netherlands); Rozema, J. [Institute of Ecological Science, Department of Systems Ecology, Vrije Universiteit Amsterdam, De Boelelaan 1085, 1081 HV, Amsterdam (Netherlands); Aerts, R. [Institute of Ecological Science, Department of Systems Ecology, Vrije Universiteit Amsterdam, De Boelelaan 1085, 1081 HV, Amsterdam (Netherlands)

2006-01-15

We studied Cd accumulation in Cepaea nemoralis snails at low, but field-relevant Cd concentrations in the diet (Urtica dioica leaves). Six treatments of U. dioica plants were grown, resulting in leaf Cd concentrations between 0 and 2.6 {mu}g g{sup -1} dw. Seven snails per treatment were fed for 38 days. Leaf Cd concentrations did not affect food consumption rates, and consequently Cd intake rates increased with increasing leaf concentrations. No differences were detected among treatments in the final soft tissue Cd concentrations and body burdens in the snails. Regression analyses showed no positive relationship between either snail Cd concentrations or body burdens and total Cd intake. This suggests a regulation of internal Cd concentrations at low food Cd concentrations. Our data suggest that Cd excretion via the mucus plays a substantial role in this regulation, in addition to Cd excretion via the faeces. Snail shells were no sinks for Cd. - Cd excretion via the mucus plays a substantial role in the regulation of C. nemoralis soft tissue Cd concentrations at low, but field-relevant Cd concentrations in the food.

Chemical Safety Vulnerability Working Group report. Volume 2

International Nuclear Information System (INIS)

1994-09-01

The Chemical Safety Vulnerability (CSV) Working Group was established to identify adverse conditions involving hazardous chemicals at DOE facilities that might result in fires or explosions, release of hazardous chemicals to the environment, or exposure of workers or the public to chemicals. A CSV Review was conducted in 148 facilities at 29 sites. Eight generic vulnerabilities were documented related to: abandoned chemicals and chemical residuals; past chemical spills and ground releases; characterization of legacy chemicals and wastes; disposition of legacy chemicals; storage facilities and conditions; condition of facilities and support systems; unanalyzed and unaddressed hazards; and inventory control and tracking. Weaknesses in five programmatic areas were also identified related to: management commitment and planning; chemical safety management programs; aging facilities that continue to operate; nonoperating facilities awaiting deactivation; and resource allocations. Volume 2 consists of seven appendices containing the following: Tasking memorandums; Project plan for the CSV Review; Field verification guide for the CSV Review; Field verification report, Lawrence Livermore National Lab.; Field verification report, Oak Ridge Reservation; Field verification report, Savannah River Site; and the Field verification report, Hanford Site

Chemical Safety Vulnerability Working Group report. Volume 2

Energy Technology Data Exchange (ETDEWEB)

1994-09-01

The Chemical Safety Vulnerability (CSV) Working Group was established to identify adverse conditions involving hazardous chemicals at DOE facilities that might result in fires or explosions, release of hazardous chemicals to the environment, or exposure of workers or the public to chemicals. A CSV Review was conducted in 148 facilities at 29 sites. Eight generic vulnerabilities were documented related to: abandoned chemicals and chemical residuals; past chemical spills and ground releases; characterization of legacy chemicals and wastes; disposition of legacy chemicals; storage facilities and conditions; condition of facilities and support systems; unanalyzed and unaddressed hazards; and inventory control and tracking. Weaknesses in five programmatic areas were also identified related to: management commitment and planning; chemical safety management programs; aging facilities that continue to operate; nonoperating facilities awaiting deactivation; and resource allocations. Volume 2 consists of seven appendices containing the following: Tasking memorandums; Project plan for the CSV Review; Field verification guide for the CSV Review; Field verification report, Lawrence Livermore National Lab.; Field verification report, Oak Ridge Reservation; Field verification report, Savannah River Site; and the Field verification report, Hanford Site.

Coupled near-field and far-field exposure assessment framework for chemicals in consumer products

DEFF Research Database (Denmark)

Fantke, Peter; Ernstoff, Alexi; Huang, Lei

2016-01-01

Humans can be exposed to chemicals in consumer products through product use and environmental emissions over the product life cycle. Exposure pathways are often complex, where chemicals can transfer directly from products to humans during use or exchange between various indoor and outdoor...... compartments until sub-fractions reach humans. To consistently evaluate exposure pathways along product life cycles, a flexible mass balance-based assessment framework is presented structuring multimedia chemical transfers in a matrix of direct inter-compartmental transfer fractions. By matrix inversion, we...

Numerical simulations of heterogeneous chemical reactions coupled to fluid flow in varying thermal fields

International Nuclear Information System (INIS)

Carnahan, C.L.

1991-11-01

A numerical simulator of reactive chemical transport with coupling from precipitation-dissolution reactions to fluid flow, via changes of porosity and permeability, is applied to precipitation-dissolution of quartz and calcite in spatially and temporally variable fields of temperature. Significant effects on fluid flow are found in the quartz-silicic acid system in the presence of persistent, strong gradient of temperature. Transient heat flow in the quartz-silicic acid system and in a calcite-calcium ion-carbonato species system produces vanishingly small effects on fluid flow

Normal ground state of dense relativistic matter in a magnetic field

International Nuclear Information System (INIS)

Gorbar, E. V.; Miransky, V. A.; Shovkovy, I. A.

2011-01-01

The properties of the ground state of relativistic matter in a magnetic field are examined within the framework of a Nambu-Jona-Lasinio model. The main emphasis of this study is the normal ground state, which is realized at sufficiently high temperatures and/or sufficiently large chemical potentials. In contrast to the vacuum state, which is characterized by the magnetic catalysis of chiral symmetry breaking, the normal state is accompanied by the dynamical generation of the chiral shift parameter Δ. In the chiral limit, the value of Δ determines a relative shift of the longitudinal momenta (along the direction of the magnetic field) in the dispersion relations of opposite chirality fermions. We argue that the chirality remains a good approximate quantum number even for massive fermions in the vicinity of the Fermi surface and, therefore, the chiral shift is expected to play an important role in many types of cold dense relativistic matter, relevant for applications in compact stars. The qualitative implications of the revealed structure of the normal ground state on the physics of protoneutron stars are discussed. A noticeable feature of the Δ parameter is that it is insensitive to temperature when T 0 , where μ 0 is the chemical potential, and increases with temperature for T>μ 0 . The latter implies that the chiral shift parameter is also generated in the regime relevant for heavy ion collisions.

A scale-up field experiment for the monitoring of a burning process using chemical, audio, and video sensors.

Science.gov (United States)

Stavrakakis, P; Agapiou, A; Mikedi, K; Karma, S; Statheropoulos, M; Pallis, G C; Pappa, A

2014-01-01

Fires are becoming more violent and frequent resulting in major economic losses and long-lasting effects on communities and ecosystems; thus, efficient fire monitoring is becoming a necessity. A novel triple multi-sensor approach was developed for monitoring and studying the burning of dry forest fuel in an open field scheduled experiment; chemical, optical, and acoustical sensors were combined to record the fire spread. The results of this integrated field campaign for real-time monitoring of the fire event are presented and discussed. Chemical analysis, despite its limitations, corresponded to the burning process with a minor time delay. Nevertheless, the evolution profile of CO2, CO, NO, and O2 were detected and monitored. The chemical monitoring of smoke components enabled the observing of the different fire phases (flaming, smoldering) based on the emissions identified in each phase. The analysis of fire acoustical signals presented accurate and timely response to the fire event. In the same content, the use of a thermographic camera, for monitoring the biomass burning, was also considerable (both profiles of the intensities of average gray and red component greater than 230) and presented similar promising potentials to audio results. Further work is needed towards integrating sensors signals for automation purposes leading to potential applications in real situations.

Metal-organic frameworks for the removal of toxic industrial chemicals and chemical warfare agents.

Science.gov (United States)

Bobbitt, N Scott; Mendonca, Matthew L; Howarth, Ashlee J; Islamoglu, Timur; Hupp, Joseph T; Farha, Omar K; Snurr, Randall Q

2017-06-06

Owing to the vast diversity of linkers, nodes, and topologies, metal-organic frameworks can be tailored for specific tasks, such as chemical separations or catalysis. Accordingly, these materials have attracted significant interest for capture and/or detoxification of toxic industrial chemicals and chemical warfare agents. In this paper, we review recent experimental and computational work pertaining to the capture of several industrially-relevant toxic chemicals, including NH 3 , SO 2 , NO 2 , H 2 S, and some volatile organic compounds, with particular emphasis on the challenging issue of designing materials that selectively adsorb these chemicals in the presence of water. We also examine recent research on the capture and catalytic degradation of chemical warfare agents such as sarin and sulfur mustard using metal-organic frameworks.

Constructing Contracts: Making Discrete Mathematics Relevant to Beginning Programmers

Science.gov (United States)

Gegg-Harrison, Timothy S.

2005-01-01

Although computer scientists understand the importance of discrete mathematics to the foundations of their field, computer science (CS) students do not always see the relevance. Thus, it is important to find a way to show students its relevance. The concept of program correctness is generally taught as an activity independent of the programming…

Laser-induced breakdown spectroscopy - An emerging chemical sensor technology for real-time field-portable, geochemical, mineralogical, and environmental applications

International Nuclear Information System (INIS)

Harmon, Russell S.; DeLucia, Frank C.; McManus, Catherine E.; McMillan, Nancy J.; Jenkins, Thomas F.; Walsh, Marianne E.; Miziolek, Andrzej

2006-01-01

Laser induced breakdown spectroscopy (LIBS) is a simple spark spectrochemical sensor technology in which a laser beam is directed at a sample surface to create a high-temperature microplasma and a detector used to collect the spectrum of light emission and record its intensity at specific wavelengths. LIBS is an emerging chemical sensor technology undergoing rapid advancement in instrumentation capability and in areas of application. Attributes of a LIBS sensor system include: (i) small size and weight; (ii) technologically mature, inherently rugged, and affordable components; (iii) real-time response; (iv) in situ analysis with no sample preparation required; (v) a high sensitivity to low atomic weight elements which are difficult to determine by other field-portable sensor techniques, and (vi) point sensing or standoff detection. Recent developments in broadband LIBS provide the capability for detection at very high resolution (0.1 nm) of all elements in any unknown target material because all chemical elements emit in the 200-980 nm spectral region. This progress portends a unique potential for the development of a rugged and reliable field-portable chemical sensor that has the potential to be utilized in variety of geochemical, mineralogical, and environmental applications

Contribution of the Endocrine Perspective in the Evaluation of Endocrine Disrupting Chemical Effects

DEFF Research Database (Denmark)

Bourguignon, Jean-Pierre; Juul, Anders; Franssen, Delphine

2016-01-01

Debate makes science progress. In the field of endocrine disruption, endocrinology has brought up findings that substantiate a specific perspective on the definition of endocrine disrupting chemicals (EDCs), the role of the endocrine system and the endpoints of hormone and EDC actions among other...... issues. This paper aims at discussing the relevance of the endocrine perspective with regard to EDC effects on pubertal timing. Puberty involves particular sensitivity to environmental conditions. Reports about the advancing onset of puberty in several countries have led to the hypothesis...

Relevance of leaf surface contamination for assessing chemical composition of bromeliads in a restinga forest

Energy Technology Data Exchange (ETDEWEB)

Elias, C; Fernandes, E A.N.; Franca, E J; Bacchi, M A; Tagliaferro, F S [Centro de Energia Nuclear na Agricultura, Universidade de Sao Paulo, Piracicaba, SP (Brazil)

2008-11-15

Resuspended soil and other airborne particles adhered to the leaf surface affect the chemical composition of the plant. A well-defined cleaning procedure is necessary to avoid this problem, providing a correct assessment of the inherent chemical composition of bromeliads. To evaluate the influence of a washing procedure, INAA was applied for determining chemical elements in the leaves of bromeliads from Vriesea carinata species, both non-washed and washed with Alconox, EDTA and bi-distilled water. Br, Ce, Hg, La, Sc, Se, Sm and Th showed higher mass fractions in nonwashed leaves. The washing procedure removed the exogenous material without leaching chemical elements from inside the tissues. (author)

Relevance of leaf surface contamination for assessing chemical composition of bromeliads in a restinga forest

International Nuclear Information System (INIS)

Elias, C.; Fernandes, E.A.N.; Franca, E.J.; Bacchi, M.A.; Tagliaferro, F.S.

2008-01-01

Resuspended soil and other airborne particles adhered to the leaf surface affect the chemical composition of the plant. A well-defined cleaning procedure is necessary to avoid this problem, providing a correct assessment of the inherent chemical composition of bromeliads. To evaluate the influence of a washing procedure, INAA was applied for determining chemical elements in the leaves of bromeliads from Vriesea carinata species, both non-washed and washed with Alconox, EDTA and bi-distilled water. Br, Ce, Hg, La, Sc, Se, Sm and Th showed higher mass fractions in nonwashed leaves. The washing procedure removed the exogenous material without leaching chemical elements from inside the tissues. (author)

The calculation of radiation fields of chemical contamination of nature with the use of a digital model

International Nuclear Information System (INIS)

Mehtiev, D.S.; Sultanov, D.A.; Azizov, B.M.

2008-01-01

Danger of contamination of the environment by convection of air and fluid transport in porous media arise while disposing of waste radioactive isotopes and chemical industry waste in underground deep-seated horizons. As a result there is eventually observed the formation of radioactive fields of local character. A lot of methods using for defining of radioactive fields of objects of the similar type, basically are based on the registration particles and quantum, emitted by nuclear of the corresponding elements in their radioactive decay. This is especially important for objects intended for placement in the mass of low permeable rocks, such as rock type. On the base of complex using of modern information basis created the model of induced radiation field of environment

Chemical evolution of formation waters in the Palm Valley gas field, Northern Territory

International Nuclear Information System (INIS)

Andrew, A.S.; Giblin, A.M.

2000-01-01

The chemical composition and evolution of formation waters associated with gas production in the Palm Valley field, Northern Territory, has important implications for reservoir management, saline water disposal, and gas reserve calculations. Historically, the occurrence of saline formation water in gas fields has been the subject of considerable debate. A better understanding of the origin, chemical evolution and movement of the formation water at Palm Valley has important implications for future reservoir management, disposal of highly saline water and accurate gas reserves estimation. Major and trace element abundance data suggest that a significant component of the highly saline water from Palm Valley has characteristics that may have been derived from a modified evaporated seawater source such as an evaporite horizon. The most dilute waters probably represent condensate and the variation in the chemistry of the intermediate waters suggests they were derived from a mixture of the condensate with the highly saline brine. The chemical and isotopic results raise several interrelated questions; the ultimate source of the high salinity and the distribution of apparently mixed compositions. In this context several key observation are highlighted. Strontium concentrations are extremely high in the brines; although broadly similar in their chemistry, the saline fluids are neither homogeneous nor well mixed; the 87 Sr/ 86 Sr ratios in the brines are higher than the signatures preserved in the evaporitic Bitter Springs Formation, and all other conceivably marine-related evaporites (Strauss, 1993); the 87 Sr/ 86 Sr ratios in the brines are lower than those measured from groundmass carbonates in the host rocks, and that the 87 Sr/ 86 Sr ratios of the brines are similar, but still somewhat higher than those measured in vein carbonates from the reservoir. It is concluded that the high salinity brine entered the reservoir during the Devonian uplift and was subsequently

Changing struggles for relevance in eight fields of natural science

NARCIS (Netherlands)

Hessels, L.K.; Lente, H. van; Smits, R.E.H.M.; Grin, J.

2011-01-01

This paper investigates the consequences of institutional changes on academic research practices in eight fields of natural science in the Netherlands. The authors analyse the similarities and differences among the dynamics of these different fields and reflect on possible explanations for the

Enhanced field emission characteristics of boron doped diamond films grown by microwave plasma assisted chemical vapor deposition

Energy Technology Data Exchange (ETDEWEB)

Koinkar, Pankaj M. [Center for International Cooperation in Engineering Education (CICEE), University of Tokushima, 2-1 Minami-josanjima-cho, Tokushima 770-8506 (Japan); Patil, Sandip S. [Center for Advanced Studies in Materials Science and Condensed Matter Physics, Department of Physics, University of Pune, Pune 411007 (India); Kim, Tae-Gyu [Department of Nano System and Process Engineering, Pusan National University, 50 Cheonghak-ri, Samrangjin-eup, Miryang, Gyeongnam, Pusan 627-706 (Korea, Republic of); Yonekura, Daisuke [Department of Mechanical Engineering, University of Tokushima, 2-1 Minami-josanjima-cho, Tokushima 770-8506 (Japan); More, Mahendra A., E-mail: mam@physics.unipune.ac.in [Center for Advanced Studies in Materials Science and Condensed Matter Physics, Department of Physics, University of Pune, Pune 411007 (India); Joag, Dilip S. [Center for Advanced Studies in Materials Science and Condensed Matter Physics, Department of Physics, University of Pune, Pune 411007 (India); Murakami, Ri-ichi, E-mail: murakami@me.tokushima-u.ac.jp [Department of Mechanical Engineering, University of Tokushima, 2-1 Minami-josanjima-cho, Tokushima 770-8506 (Japan)

2011-01-01

Boron doped diamond films were synthesized on silicon substrates by microwave plasma chemical vapor deposition (MPCVD) technique. The effect of B{sub 2}O{sub 3} concentration varied from 1000 to 5000 ppm on the field emission characteristics was examined. The surface morphology and quality of films were characterized by scanning electron microscope (SEM) and Raman spectroscopy. The surface morphology obtained by SEM showed variation from facetted microcrystal covered with nanometric grains to cauliflower of nanocrystalline diamond (NCD) particles with increasing B{sub 2}O{sub 3} concentration. The Raman spectra confirm the formation of NCD films. The field emission properties of NCD films were observed to improve upon increasing boron concentration. The values of the onset field and threshold field are observed to be as low as 0.36 and 0.08 V/{mu}m, respectively. The field emission current stability investigated at the preset value of {approx}1 {mu}A is observed to be good, in each case. The enhanced field emission properties are attributed to the better electrical conductivity coupled with the nanometric features of the diamond films.

Field selection of chemical protective clothing and respiratory protection

International Nuclear Information System (INIS)

Pinette, S.; Dodgen, C.; Morley, M.

1991-01-01

Safety professionals who must choose appropriate personal protective equipment for hazardous substance response or hazardous waste sites require useable information about the effectiveness of the various products available. Each hazardous waste operation involves a unique combination of chemical hazards requiring a unique combination of protective apparel. A chemical protective suit or respirator must be chosen for each site and each operation on the site. No single protective suit is effective against all chemical hazards. No single respirator is the best choice in every situation. Various sources of information on the effectiveness of protective clothing products will be discussed. Site-specific permeation testing of the proposed protective clothing options will also be discussed. It is both possible and practical to obtain specific information about the degree of protection afforded by a particular suit against a particular chemical mixture. It is also important to know how long the suit will last. Choosing adequate respiratory protection is a complex process. Respirator cartridge performance depends on various environmental factors as well as upon the combination and concentration of chemicals in the air. Once characterization of the air at a site has been accomplished, it may be appropriate to select an alternative to airline respirators and SCBAs. Respirator cartridges can be tested against specific chemical mixtures using worse case environmental factors. The results can be used to predict both the effectiveness and duration of protection afforded by respirator cartridges which can reduce costs and worker fatigue

Field studies and modeling of chemical processes in the unsaturated zone

International Nuclear Information System (INIS)

Polzer, W.L.; Fuentes, H.R.

1985-01-01

Technical assistance is being provided to Nuclear Materials Safety and Safeguards of the Nuclear Regulatory Commission to evaluate the validity of several guidelines listed in 10 CFR Part 61 for the future burial of low-level radioactive waste. Those guidelines include the requirement that the burial site shall be capable of being modeled. Both laboratory- and field-scale studies are being conducted under unsaturated moisture conditions and under steady-state and unsteady-state flow conditions. This paper reviews the kinds of present experiments in low-level radioactive waste disposal in development at the Los Alamos National Laboratory. Major emphasis is on some of the initial analyses of data for laboratory sorption experiments and for field transport tests. Brief reference is made to leaching and transport studies. Laboratory batch equilibrium sorption studies suggest that adsorption of nonconservative tracers can be described in terms of two empirical constants; one gives an indication of the average K/sub d/ for all adsorption sites and the other gives an indication of the spread of individual K/sub d/'s about the average K/sub d/. This information can be translated into a ''chemical dispersion'' under dynamic flow and equilibrium sorption conditions that is in addition to the traditionally accepted physical dispersion. Laboratory nonequilibrium sorption studies suggest that nonequilibrium models may be needed to model the transport of the nonconservative tracers cobalt and cesium; equilibrium models should be suitable to model strontium transport. Analyses from field-scale studies indicate that conservative tracers can reasonably be modeled with a one-dimensional advective-dispersive equation for steady flow. 12 figs., 1 tab

Application of industrial hygiene techniques for work-place exposure assessment protocols related to petro-chemical exploration and production field activities

International Nuclear Information System (INIS)

Koehn, J.

1995-01-01

Standard industrial hygiene techniques for recognition, evaluation, and control can be directly applied to development of technical protocols for workplace exposure assessment activities for a variety of field site locations. Categories of occupational hazards include chemical and physical agents. Examples of these types of hazards directly related to oil and gas exploration and production workplaces include hydrocarbons, benzene, oil mist, hydrogen sulfide, Naturally Occurring Radioactive Materials (NORM), asbestos-containing materials, and noise. Specific components of well process chemicals include potential hazardous chemical substances such as methanol, acrolein, chlorine dioxide, and hydrochloric acid. Other types of exposure hazards may result from non-routine conduct of sandblasting and painting operations

Proceedings of the sixty-sixth annual session of Indian Institute of Chemical Engineers and joint Indo-North American symposium: oral and poster abstracts

International Nuclear Information System (INIS)

2013-01-01

The aim of the symposium was to to discuss the current trends and future developments in the field of chemical engineering technology. The main themes of the symposium were: Advanced Separation Techniques; Biochemical Engineering; Process Intensification; Fossil Fuel, Nuclear and Alternate Energy; Novel Reactors and operating strategies; Green Chemistry and Engineering; Food Security; Water Treatment, Reuse and Recycle; Healthcare Technology; Nanomaterials; Process Development; Process Engineering and Control; Borderless Chemical Engineering; Fluid Mechanics and CFD; Intellectual Property Rights; Sustainable Development etc. Papers relevant to INIS are indexed separately

Clinical Considerations in the Assessment of Adolescent Chemical Dependency.

Science.gov (United States)

Winters, Ken

1990-01-01

Discusses relevant research findings of clinical assessment of adolescent chemical dependency so that service providers can better address these concerns. Three major issues are discussed: the definition of adolescent chemical dependency, clinical domains of assessment (chemical use problem severity, precipitating and perpetuating risk factors,…

Board on chemical sciences and technology

International Nuclear Information System (INIS)

1991-01-01

The Board has completed five reports since June 1988. Biosafety in the Laboratory: Prudent Practices for Handling and Disposal of Infectious Materials is a comprehensive review of the principles and practices of biological safety in the laboratory. Currently in press, it promises to be a landmark publication in this field, comparable to the Board's two previous studies on handling and disposal of chemicals in laboratories. Chemical Processes and Products in Severe Nuclear Reactor Accidents: Report of a Workshop evaluates the quality and relevance of existing high-temperature thermodynamic and kinetic data to the analysis of light-water reactor accidents. A number of areas where important data was deemed to be lacking or inadequate were identified to provide a sound basis for predicting the behavior of fission products, fuel, and other materials in nuclear reactors during a severe accident leading to radioactivity release. Training Requirements for Chemists in Nuclear Medicine, Nuclear Industry, and Related Areas assesses the training requirements for chemists in nuclear medicine, nuclear industry, and related areas. Finally, the Board's Air Force Office of Scientific Research High Energy Density Materials Panel has completed two program evaluation reports on this Air Force program

In Silico Prediction of Toxicokinetic Parameters for Environmentally Relevant Chemicals with Application to Risk-Based Prioritization

Science.gov (United States)

Toxicokinetic (TK) models can help bridge the gap between chemical exposure and measured toxicity endpoints, thereby addressing an important component of chemical risk assessments. The fraction of a chemical unbound by plasma proteins (Fub) and metabolic clearance rate (CLint) ar...

Studies and activities in the field of chemical toxicology carried out by the service d'hygiene industrielle

International Nuclear Information System (INIS)

Chalabreysse, J.; Archimbaud, M.; Teulon, F.

1988-02-01

The Service d'Hygiene Industrielle (Industrial hygiene service, Institute of protection and nuclear safety, Department of health protection - IPSN-DPS) has acquired an unquestionable proficiency in chemical toxicology on account of 1) its missions of research on and monitoring of workers, working conditions and the environment on the Tricastin industrial complex and 2) of its actions of technical assistance to the CEA group and of valorization outside the group. The report presents how toxicological hazards originated from the use of chemical products by the nuclear industry are taken into consideration. A global methodology of assessment of chemical-toxicological hazards has been developed; it is based on the experience gained in various occupational branches (nuclear and non-nuclear industry, agriculture, administrations,...). The Service d'hygiene industrielle is developing R and D studies in the field of biology and analytical chemistry based on the present knowledge and doctrine in radiotoxicology (uranium especially). The contribution of radiation protection and radiotoxicology to non-nuclear industrial hygiene can thus be appreciated [fr

Passage relevance models for genomics search

Directory of Open Access Journals (Sweden)

Frieder Ophir

2009-03-01

Full Text Available Abstract We present a passage relevance model for integrating syntactic and semantic evidence of biomedical concepts and topics using a probabilistic graphical model. Component models of topics, concepts, terms, and document are represented as potential functions within a Markov Random Field. The probability of a passage being relevant to a biologist's information need is represented as the joint distribution across all potential functions. Relevance model feedback of top ranked passages is used to improve distributional estimates of query concepts and topics in context, and a dimensional indexing strategy is used for efficient aggregation of concept and term statistics. By integrating multiple sources of evidence including dependencies between topics, concepts, and terms, we seek to improve genomics literature passage retrieval precision. Using this model, we are able to demonstrate statistically significant improvements in retrieval precision using a large genomics literature corpus.

Prioritizing Environmental Chemicals for Obesity and Diabetes ...

Science.gov (United States)

Background: Diabetes and obesity are major threats to public health in the US and abroad. Understanding the role chemicals in our environment play in the development of these conditions is an emerging issue in environmental health, although identifying and prioritizing chemicals for testing beyond those already implicated in the literature is a challenge. This review is intended to help researchers generate hypotheses about chemicals potentially contributing to diabetes and obesity-related health outcomes by summarizing relevant findings from the US Environmental Protection Agency (EPA) ToxCast high-throughput screening (HTS) program. Objectives: To develop new hypotheses around environmental chemicals of potential interest for diabetes- or obesity-related outcomes using high throughput screening data. Methods: Identify ToxCast assay targets relevant to several biological processes related to diabetes and obesity (insulin sensitivity in peripheral tissue, pancreatic islet and beta cell function, adipocyte dierentiation, and feeding behavior) and present chemical screening data against those assay targets to identify chemicals of potential interest. Discussion: Results of this screening-level analysis suggest that the spectrum of environmental chemicals to consider in research related to diabetes and obesity is much broader than indicated from research papers and reviews published in the peer-reviewed literature. Testing of hypotheses based on ToxCast data will a

Sensing colorimetric approaches based on gold and silver nanoparticles aggregation: Chemical creativity behind the assay. A review

Energy Technology Data Exchange (ETDEWEB)

Vilela, Diana; Gonzalez, Maria Cristina [Departamento de Quimica Analitica e Ingenieria Quimica, Facultad de Quimica, Edificio Polivalente, Universidad de Alcala, Ctra. Madrid-Barcelona km 33,600, 28871 Alcala de Henares, Madrid (Spain); Escarpa, Alberto, E-mail: alberto.escarpa@uah.es [Departamento de Quimica Analitica e Ingenieria Quimica, Facultad de Quimica, Edificio Polivalente, Universidad de Alcala, Ctra. Madrid-Barcelona km 33,600, 28871 Alcala de Henares, Madrid (Spain)

2012-11-02

Highlights: Black-Right-Pointing-Pointer Visual detection based gold and silver nanoparticles aggregation. Black-Right-Pointing-Pointer Functionalized and non-functionalized nanoparticles. Black-Right-Pointing-Pointer High selectivity and sensitivity. Black-Right-Pointing-Pointer No complex instrumentation is required/chemical creativity for analyte detection. - Abstract: Localized surface plasmon resonance (LSPR) is one of the most remarkable features of gold nanoparticles (Au NPs) and silver nanoparticles (Ag NPs). Due to these inherent optical properties, colloidal solutions of Au and Ag NPs have high extinction coefficients and different colour in the visible region of the spectrum when they are well-spaced in comparison with when they are aggregated. Therefore, a well-designed chemical interaction between the analyte and NPs surroundings leads to a change of colour (red to blue for Au NPs and yellow to brown for Ag NPs from well-spaced to aggregated ones, respectively) allowing the visual detection of the target analyte. These approaches have exhibited an excellent analytical performance with high sensitivities due to the strong LSPR and excellent selectivity strategically driven by the interaction analyte-NPs surroundings involving mainly electrostatic and hydrogen bond interactions as well as donor-acceptor chemical reactions, among others. In addition, this kind of colorimetric assays has received considerable attention in the analytical field because of their simplicity and low cost since they do not require any expensive or complex instrumentation. As a consequence of this, detection of molecules with a high significance in the bio-medical, clinical, food safety and environmental fields including DNA, proteins and a wide spectrum of organic molecules as well as inorganic ions have been impressively reported in the most relevant literature using these assays. This timely review offers a rational vision of the main achievements yielded in the relevant

Sensing colorimetric approaches based on gold and silver nanoparticles aggregation: Chemical creativity behind the assay. A review

International Nuclear Information System (INIS)

Vilela, Diana; González, María Cristina; Escarpa, Alberto

2012-01-01

Highlights: ► Visual detection based gold and silver nanoparticles aggregation. ► Functionalized and non-functionalized nanoparticles. ► High selectivity and sensitivity. ► No complex instrumentation is required/chemical creativity for analyte detection. - Abstract: Localized surface plasmon resonance (LSPR) is one of the most remarkable features of gold nanoparticles (Au NPs) and silver nanoparticles (Ag NPs). Due to these inherent optical properties, colloidal solutions of Au and Ag NPs have high extinction coefficients and different colour in the visible region of the spectrum when they are well-spaced in comparison with when they are aggregated. Therefore, a well-designed chemical interaction between the analyte and NPs surroundings leads to a change of colour (red to blue for Au NPs and yellow to brown for Ag NPs from well-spaced to aggregated ones, respectively) allowing the visual detection of the target analyte. These approaches have exhibited an excellent analytical performance with high sensitivities due to the strong LSPR and excellent selectivity strategically driven by the interaction analyte-NPs surroundings involving mainly electrostatic and hydrogen bond interactions as well as donor–acceptor chemical reactions, among others. In addition, this kind of colorimetric assays has received considerable attention in the analytical field because of their simplicity and low cost since they do not require any expensive or complex instrumentation. As a consequence of this, detection of molecules with a high significance in the bio-medical, clinical, food safety and environmental fields including DNA, proteins and a wide spectrum of organic molecules as well as inorganic ions have been impressively reported in the most relevant literature using these assays. This timely review offers a rational vision of the main achievements yielded in the relevant literature according to this exciting and creative analytical field.

Engineering Rugged Field Assays to Detect Hazardous Chemicals Using Spore-Based Bacterial Biosensors.

Science.gov (United States)

Wynn, Daniel; Deo, Sapna; Daunert, Sylvia

2017-01-01

Bacterial whole cell-based biosensors have been genetically engineered to achieve selective and reliable detection of a wide range of hazardous chemicals. Although whole-cell biosensors demonstrate many advantages for field-based detection of target analytes, there are still some challenges that need to be addressed. Most notably, their often modest shelf life and need for special handling and storage make them challenging to use in situations where access to reagents, instrumentation, and expertise are limited. These problems can be circumvented by developing biosensors in Bacillus spores, which can be engineered to address all of these concerns. In its sporulated state, a whole cell-based biosensor has a remarkably long life span and is exceptionally resistant to environmental insult. When these spores are germinated for use in analytical techniques, they show no loss in performance, even after long periods of storage under harsh conditions. In this chapter, we will discuss the development and use of whole cell-based sensors, their adaptation to spore-based biosensors, their current applications, and future directions in the field. © 2017 Elsevier Inc. All rights reserved.

Aligning the 3Rs with new paradigms in the safety assessment of chemicals.

Science.gov (United States)

Burden, Natalie; Mahony, Catherine; Müller, Boris P; Terry, Claire; Westmoreland, Carl; Kimber, Ian

2015-04-01

There are currently several factors driving a move away from the reliance on in vivo toxicity testing for the purposes of chemical safety assessment. Progress has started to be made in the development and validation of non-animal methods. However, recent advances in the biosciences provide exciting opportunities to accelerate this process and to ensure that the alternative paradigms for hazard identification and risk assessment deliver lasting 3Rs benefits, whilst improving the quality and relevance of safety assessment. The NC3Rs, a UK-based scientific organisation which supports the development and application of novel 3Rs techniques and approaches, held a workshop recently which brought together over 20 international experts in the field of chemical safety assessment. The aim of this workshop was to review the current scientific, technical and regulatory landscapes, and to identify key opportunities towards reaching these goals. Here, we consider areas where further strategic investment will need to be focused if significant impact on 3Rs is to be matched with improved safety science, and why the timing is right for the field to work together towards an environment where we no longer rely on whole animal data for the accurate safety assessment of chemicals.

Computer simulation and experimental self-assembly of irradiated glycine amino acid under magnetic fields: Its possible significance in prebiotic chemistry.

Science.gov (United States)

Heredia, Alejandro; Colín-García, María; Puig, Teresa Pi I; Alba-Aldave, Leticia; Meléndez, Adriana; Cruz-Castañeda, Jorge A; Basiuk, Vladimir A; Ramos-Bernal, Sergio; Mendoza, Alicia Negrón

2017-12-01

Ionizing radiation may have played a relevant role in chemical reactions for prebiotic biomolecule formation on ancient Earth. Environmental conditions such as the presence of water and magnetic fields were possibly relevant in the formation of organic compounds such as amino acids. ATR-FTIR, Raman, EPR and X-ray spectroscopies provide valuable information about molecular organization of different glycine polymorphs under static magnetic fields. γ-glycine polymorph formation increases in irradiated samples interacting with static magnetic fields. The increase in γ-glycine polymorph agrees with the computer simulations. The AM1 semi-empirical simulations show a change in the catalyst behavior and dipole moment values in α and γ-glycine interaction with the static magnetic field. The simulated crystal lattice energy in α-glycine is also affected by the free radicals under the magnetic field, which decreases its stability. Therefore, solid α and γ-glycine containing free radicals under static magnetic fields might have affected the prebiotic scenario on ancient Earth by causing the oligomerization of glycine in prebiotic reactions. Copyright © 2017 Elsevier B.V. All rights reserved.

The asymmetric hetero-Diels-Alder reaction in the syntheses of biologically relevant compounds.

Science.gov (United States)

Eschenbrenner-Lux, Vincent; Kumar, Kamal; Waldmann, Herbert

2014-10-13

The hetero-Diels-Alder reaction is one of the most powerful transformations in the chemistry toolbox for the synthesis of aza- and oxa-heterocycles embodying multiple stereogenic centers. However, as compared to other cycloadditions, in particular the dipolar cycloadditions and the Diels-Alder reaction, the hetero-Diels-Alder reaction has been much less explored and exploited in organic synthesis. Nevertheless, this powerful transformation has opened up efficient and creative routes to biologically relevant small molecules and different natural products which contain six-membered oxygen or nitrogen ring systems. Recent developments in this field, in particular in the establishment of enantioselectively catalyzed hetero-Diels-Alder cycloadditions steered by a plethora of different catalysts and the application of the resulting small molecules in chemical biology and medicinal chemistry research, are highlighted in this Minireview. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical radioprotection

International Nuclear Information System (INIS)

Siegel, G.

1979-01-01

A reivew of the problems and progress in the field of chemical radioprotection is given. After defining the field of research, the practical significance of radioprotective substances and the requirements for a utilizable radioprotective preparation are presented. Trends of development of this field of research, the state of the art, and resulting conclusions for the future development of radioprotective substances of practical value are discussed. (author)

Selected, annotated bibliography of studies relevant to the isolation of nuclear wastes

International Nuclear Information System (INIS)

Hyder, L.K.; Fore, C.S.; Vaughan, N.D.; Faust, R.A.

1980-09-01

This annotated bibliography of 705 references represents the first in a series to be published by the Ecological Sciences Information Center containing scientific, technical, economic, and regulatory information relevant to nuclear waste isolation. Most references discuss deep geologic disposal, with fewer studies of deep seabed disposal; space disposal is also included. The publication covers both domestic and foreign literature for the period 1954 to 1980. Major chapters selected are Chemical and Physical Aspects; Container Design and Performance; Disposal Site; Envirnmental Transport; General Studies and Reviews; Geology, Hydrology and Site Resources; Regulatory and Economic Aspects; Repository Design and Engineering; Transportation Technology; Waste Production; and Waste Treatment. Specialized data fields have been incorporated to improve the ease and accuracy of locating pertinent references. Specific radionuclides for which data are presented are listed in the Measured Radionuclides field, and specific parameters which affect the migration of these radionuclides are presented in the Measured Parameters field. The references within each chapter are arranged alphabetically by leading author, corporate affiliation, or title of the document. When the author is not given, the corporate affiliation appears first. If these two levels of authorship are not given, the title of the document is used as the identifying level. Indexes are provided for author(s), keywords, subject category, title, geographic location, measured parameters, measured radionuclides, and publication description

Why relevance theory is relevant for lexicography

DEFF Research Database (Denmark)

Bothma, Theo; Tarp, Sven

2014-01-01

This article starts by providing a brief summary of relevance theory in information science in relation to the function theory of lexicography, explaining the different types of relevance, viz. objective system relevance and the subjective types of relevance, i.e. topical, cognitive, situational...... that is very important for lexicography as well as for information science, viz. functional relevance. Since all lexicographic work is ultimately aimed at satisfying users’ information needs, the article then discusses why the lexicographer should take note of all these types of relevance when planning a new...... dictionary project, identifying new tasks and responsibilities of the modern lexicographer. The article furthermore discusses how relevance theory impacts on teaching dictionary culture and reference skills. By integrating insights from lexicography and information science, the article contributes to new...

Classification of chemical substances, reactions, and interactions: The effect of expertise

Science.gov (United States)

Stains, Marilyne Nicole Olivia

2007-12-01

This project explored the strategies that undergraduate and graduate chemistry students engaged in when solving classification tasks involving microscopic (particulate) representations of chemical substances and microscopic and symbolic representations of different chemical reactions. We were specifically interested in characterizing the basic features to which students pay attention while classifying, identifying the patterns of reasoning that they follow, and comparing the performance of students with different levels of preparation in the discipline. In general, our results suggest that advanced levels of expertise in chemical classification do not necessarily evolve in a linear and continuous way with academic training. Novice students had a tendency to reduce the cognitive demand of the task and rely on common-sense reasoning; they had difficulties differentiating concepts (conceptual undifferentiation) and based their classification decisions on only one variable (reduction). These ways of thinking lead them to consider extraneous features, pay more attention to explicit or surface features than implicit features and to overlook important and relevant features. However, unfamiliar levels of representations (microscopic level) seemed to trigger deeper and more meaningful thinking processes. On the other hand, expert students classified entities using a specific set of rules that they applied throughout the classification tasks. They considered a larger variety of implicit features and the unfamiliarity with the microscopic level of representation did not affect their reasoning processes. Consequently, novices created numerous small groups, few of them being chemically meaningful, while experts created few but large chemically meaningful groups. Novices also had difficulties correctly classifying entities in chemically meaningful groups. Finally, expert chemists in our study used classification schemes that are not necessarily traditionally taught in classroom

Physical and chemical removal of radioactive oxide layers

International Nuclear Information System (INIS)

Blesa, M.A.; Baumgartner, E.C.; Maroto, A.J.G.

1983-01-01

When a nuclear reactor is operating under steady state conditions, the balance between release of activated crud and pick-up and activation of circulating crud dictates the overall contribution to the growth of radiation fields by the release of crud from the fuel elements. Whole-circuit decontamination procedures which are carried out with the fuel elements in-core must take into account that during such procedure this balance is abruptly changed in the sense of releasing considerable amounts of radioactivity towards out-of-core components. In principle, this disruption of balance operates against the decontamination objectives, usually the lowering of radiation fields throughout the primary circuit. This is applicable to the two processes that involve fuel decontamination: cycling redox techniques and whole-circuit chemical decontaminations. However, data on actual cycling redox procedures performed in Atucha I Nuclear Power Station are presented which demonstrate that under appropriate process conditions such release does not prevent the achieval of reasonable decontamination factors in critical components. The relevance of optimum cleaning rates, redeposition rates, reagent injection strategies, and the ways to achieve these are discussed. In chemical decontamination procedures, it is of importance to assess the relative contribution of fuel elements and out-of-core components to dissolved radioactive crud. In order to do this, the mechanisms of dissolution of crud on steel surfaces and on Zircaloy surfaces are compared for the most usual reagents

Environmentally relevant chemical mixtures of concern in waters of United States tributaries to the Great Lakes

Science.gov (United States)

Elliott, Sarah M.; Brigham, Mark E.; Kiesling, Richard L.; Schoenfuss, Heiko L.; Jorgenson, Zachary G.

2018-01-01

The North American Great Lakes are a vital natural resource that provide fish and wildlife habitat, as well as drinking water and waste assimilation services for millions of people. Tributaries to the Great Lakes receive chemical inputs from various point and nonpoint sources, and thus are expected to have complex mixtures of chemicals. However, our understanding of the co‐occurrence of specific chemicals in complex mixtures is limited. To better understand the occurrence of specific chemical mixtures in the US Great Lakes Basin, surface water from 24 US tributaries to the Laurentian Great Lakes was collected and analyzed for diverse suites of organic chemicals, primarily focused on chemicals of concern (e.g., pharmaceuticals, personal care products, fragrances). A total of 181 samples and 21 chemical classes were assessed for mixture compositions. Basin wide, 1664 mixtures occurred in at least 25% of sites. The most complex mixtures identified comprised 9 chemical classes and occurred in 58% of sampled tributaries. Pharmaceuticals typically occurred in complex mixtures, reflecting pharmaceutical‐use patterns and wastewater facility outfall influences. Fewer mixtures were identified at lake or lake‐influenced sites than at riverine sites. As mixture complexity increased, the probability of a specific mixture occurring more often than by chance greatly increased, highlighting the importance of understanding source contributions to the environment. This empirically based analysis of mixture composition and occurrence may be used to focus future sampling efforts or mixture toxicity assessments. 

Utilização de regressão multivariada para avaliação espectrofotométrica da demanda química de oxigênio em amostras de relevância ambiental Use of multivariate regression in spectrophotometric evaluation of chemical oxigen demand in samples of environmental relevance

Directory of Open Access Journals (Sweden)

Patricio Peralta-Zamora

2005-10-01

Full Text Available In this work, a partial least squares regression routine was used to develop a multivariate calibration model to predict the chemical oxygen demand (COD in substrates of environmental relevance (paper effluents and landfill leachates from UV-Vis spectral data. The calibration models permit the fast determination of the COD with typical relative errors lower by 10% with respect to the conventional methodology.

Atypical Mg-poor Milky Way Field Stars with Globular Cluster Second-generation-like Chemical Patterns

Energy Technology Data Exchange (ETDEWEB)

Fernández-Trincado, J. G.; Geisler, D.; Tang, B.; Villanova, S.; Mennickent, R. E. [Departamento de Astronomía, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Zamora, O.; García-Hernández, D. A.; Dell’Agli, F.; Prieto, Carlos Allende [Instituto de Astrofísica de Canarias, E-38205 La Laguna, Tenerife (Spain); Souto, Diogo; Cunha, Katia [Observatório Nacional, Rua Gal. José Cristino 77, Rio de Janeiro, RJ—20921-400 (Brazil); Schiavon, R. P. [Astrophysics Research Institute, Liverpool John Moores University, 146 Brownlow Hill, Liverpool L3 5RF (United Kingdom); Hasselquist, Sten [New Mexico State University, Las Cruces, NM 88003 (United States); Shetrone, M. [University of Texas at Austin, McDonald Observatory, Fort Davis, TX 79734 (United States); Vieira, K. [Centro de Investigaciones de Astronomía, AP 264, Mérida 5101-A (Venezuela, Bolivarian Republic of); Zasowski, G. [Space Telescope Science Institute, 3700 San Martin Drive, Baltimore, MD 21218 (United States); Sobeck, J.; Hayes, C. R.; Majewski, S. R. [Department of Astronomy, University of Virginia, Charlottesville, VA 22903 (United States); Placco, V. M., E-mail: jfernandezt@astro-udec.cl, E-mail: jfernandezt87@gmail.com [Department of Physics and JINA Center for the Evolution of the Elements, University of Notre Dame, Notre Dame, IN 46556 (United States); and others

2017-09-01

We report the peculiar chemical abundance patterns of 11 atypical Milky Way (MW) field red giant stars observed by the Apache Point Observatory Galactic Evolution Experiment (APOGEE). These atypical giants exhibit strong Al and N enhancements accompanied by C and Mg depletions, strikingly similar to those observed in the so-called second-generation (SG) stars of globular clusters (GCs). Remarkably, we find low Mg abundances ([Mg/Fe] < 0.0) together with strong Al and N overabundances in the majority (5/7) of the metal-rich ([Fe/H] ≳ −1.0) sample stars, which is at odds with actual observations of SG stars in Galactic GCs of similar metallicities. This chemical pattern is unique and unprecedented among MW stars, posing urgent questions about its origin. These atypical stars could be former SG stars of dissolved GCs formed with intrinsically lower abundances of Mg and enriched Al (subsequently self-polluted by massive AGB stars) or the result of exotic binary systems. We speculate that the stars Mg-deficiency as well as the orbital properties suggest that they could have an extragalactic origin. This discovery should guide future dedicated spectroscopic searches of atypical stellar chemical patterns in our Galaxy, a fundamental step forward to understanding the Galactic formation and evolution.

Operation of chemical incinerator for disposal of legacy chemicals

International Nuclear Information System (INIS)

Singhal, R.K.; Basu, H.; Saha, S.; Pimple, M.V.; Naik, P.D.

2017-01-01

For safe disposal of age-old legacy and unused chemicals in BARC, Trombay, oil-fired chemical incinerator with a capacity of 20 kg h"-"1 for solid and liquid chemical is installed adjacent to trash incinerator near RSMS, Gamma Field. The Incinerator was supplied by M/s B. L. Engineering Works, Ahmedabad. Commission of the same at Trombay site was carried out, under the supervision of Civil Engineering (CED), Technical Services Division (TSD) and Analytical Chemistry Division (custodian of the facility)

Characterization of soil chemical properties of strawberry fields using principal component analysis

Directory of Open Access Journals (Sweden)

Gláucia Oliveira Islabão

2013-02-01

Full Text Available One of the largest strawberry-producing municipalities of Rio Grande do Sul (RS is Turuçu, in the South of the State. The strawberry production system adopted by farmers is similar to that used in other regions in Brazil and in the world. The main difference is related to the soil management, which can change the soil chemical properties during the strawberry cycle. This study had the objective of assessing the spatial and temporal distribution of soil fertility parameters using principal component analysis (PCA. Soil sampling was based on topography, dividing the field in three thirds: upper, middle and lower. From each of these thirds, five soil samples were randomly collected in the 0-0.20 m layer, to form a composite sample for each third. Four samples were taken during the strawberry cycle and the following properties were determined: soil organic matter (OM, soil total nitrogen (N, available phosphorus (P and potassium (K, exchangeable calcium (Ca and magnesium (Mg, soil pH (pH, cation exchange capacity (CEC at pH 7.0, soil base (V% and soil aluminum saturation(m%. No spatial variation was observed for any of the studied soil fertility parameters in the strawberry fields and temporal variation was only detected for available K. Phosphorus and K contents were always high or very high from the beginning of the strawberry cycle, while pH values ranged from very low to very high. Principal component analysis allowed the clustering of all strawberry fields based on variables related to soil acidity and organic matter content.

Analysis rbs of CdS thin films grown by cbd to different intensities of the magnetic field and temperature of the chemical bath

International Nuclear Information System (INIS)

Pedrero, E.; Vigil, O.

1999-01-01

Depth and composition of CdS thin films grown by chemical bath deposition under different temperature and magnetic DC field conditions, were determined by Rutherford Backscattering Spectrometry. The above parameters were evaluated as a function of the bath temperature and the intensity of the induction magnetic field applied

Silicon Nanowire Field-effect Chemical Sensor

OpenAIRE

Chen, S.

2011-01-01

This thesis describes the work that has been done on the project “Design and optimization of silicon nanowire for chemical sensing‿, including Si-NW fabrication, electrical/electrochemical modeling, the application as ISFET, and the build-up of Si- NW/LOC system for automatic sample delivery. A novel top-down fabrication technique was presented for single-crystal Si-NW fabrication realized with conventional microfabrication technique. High quality triangular Si-NWs were made with high wafer-s...

Beyond mean-field approximations for accurate and computationally efficient models of on-lattice chemical kinetics

Science.gov (United States)

Pineda, M.; Stamatakis, M.

2017-07-01

Modeling the kinetics of surface catalyzed reactions is essential for the design of reactors and chemical processes. The majority of microkinetic models employ mean-field approximations, which lead to an approximate description of catalytic kinetics by assuming spatially uncorrelated adsorbates. On the other hand, kinetic Monte Carlo (KMC) methods provide a discrete-space continuous-time stochastic formulation that enables an accurate treatment of spatial correlations in the adlayer, but at a significant computation cost. In this work, we use the so-called cluster mean-field approach to develop higher order approximations that systematically increase the accuracy of kinetic models by treating spatial correlations at a progressively higher level of detail. We further demonstrate our approach on a reduced model for NO oxidation incorporating first nearest-neighbor lateral interactions and construct a sequence of approximations of increasingly higher accuracy, which we compare with KMC and mean-field. The latter is found to perform rather poorly, overestimating the turnover frequency by several orders of magnitude for this system. On the other hand, our approximations, while more computationally intense than the traditional mean-field treatment, still achieve tremendous computational savings compared to KMC simulations, thereby opening the way for employing them in multiscale modeling frameworks.

On-matrix derivatization extraction of chemical weapons convention relevant alcohols from soil.

Science.gov (United States)

Chinthakindi, Sridhar; Purohit, Ajay; Singh, Varoon; Dubey, D K; Pardasani, Deepak

2013-10-11

Present study deals with the on-matrix derivatization-extraction of aminoalcohols and thiodiglycols, which are important precursors and/or degradation products of VX analogues and vesicants class of chemical warfare agents (CWAs). The method involved hexamethyldisilazane (HMDS) mediated in situ silylation of analytes on the soil. Subsequent extraction and gas chromatography-mass spectrometry analysis of derivatized analytes offered better recoveries in comparison to the procedure recommended by the Organization for the Prohibition of Chemical Weapons (OPCW). Various experimental conditions such as extraction solvent, reagent and catalyst amount, reaction time and temperature were optimized. Best recoveries of analytes ranging from 45% to 103% were obtained with DCM solvent containing 5%, v/v HMDS and 0.01%, w/v iodine as catalyst. The limits of detection (LOD) and limit of quantification (LOQ) with selected analytes ranged from 8 to 277 and 21 to 665ngmL(-1), respectively, in selected ion monitoring mode. Copyright © 2013 Elsevier B.V. All rights reserved.

Perspectives on chemical oceanography in the 21st century: Participants of the COME ABOARD Meeting examine aspects of the field in the context of 40 years of DISCO

Science.gov (United States)

Fassbender, Andrea J.; Palevsky, Hilary I.; Martz, Todd R.; Ingalls, Anitra E.; Gledhill, Martha; Fawcett, Sarah E.; Brandes, Jay; Aluwihare, Lihini; Anderson, Robert M.; Bender, Sara; Boyle, Ed; Bronk, Debbie; Buesseler, Ken; Burdige, David J.; Casciotti, Karen; Close, Hilary; Conte, Maureen; Cutter, Greg; Estapa, Meg; Fennel, Katja; Ferron, Sara; Glazer, Brian; Goni, Miguel; Grand, Max; Guay, Chris; Hatta, Mariko; Hayes, Chris; Horner, Tristan; Ingall, Ellery; Johnson, Kenneth G.; Juranek, Laurie; Knapp, Angela; Lam, Phoebe; Luther, George; Matrai, Paty; Nicholson, David; Paytan, Adina; Pellenbarg, Robert; Popendorf, Kim; Reddy, Christopher M.; Ruttenberg, Kathleen; Sabine, Chris; Sansone, Frank; Shaltout, Nayrah; Sikes, Liz; Sundquist, Eric T.; Valentine, David; Wang, Zhao (Aleck); Wilson, Sam; Barrett, Pamela; Behrens, Melanie; Belcher, Anna; Biermann, Lauren; Boiteau, Rene; Clarke, Jennifer; Collins, Jamie; Coppola, Alysha; Ebling, Alina M.; Garcia-Tigreros, Fenix; Goldman, Johanna; Guallart, Elisa F.; Haskell, William; Hurley, Sarah; Janssen, David; Johnson, Winn; Lennhartz, Sinikka; Liu, Shuting; Rahman, Shaily; Ray, Daisy; Sarkar, Amit; Steiner, Zvika; Widner, Brittany; Yang, Bo

2017-01-01

The questions that chemical oceanographers prioritize over the coming decades, and the methods we use to address these questions, will define our field's contribution to 21st century science. In recognition of this, the U.S. National Science Foundation and National Oceanic and Atmospheric Administration galvanized a community effort (the Chemical Oceanography MEeting: A BOttom-up Approach to Research Directions, or COME ABOARD) to synthesize bottom-up perspectives on selected areas of research in Chemical Oceanography. Representing only a small subset of the community, COME ABOARD participants did not attempt to identify targeted research directions for the field. Instead, we focused on how best to foster diverse research in Chemical Oceanography, placing emphasis on the following themes: strengthening our core chemical skillset; expanding our tools through collaboration with chemists, engineers, and computer scientists; considering new roles for large programs; enhancing interface research through interdisciplinary collaboration; and expanding ocean literacy by engaging with the public. For each theme, COME ABOARD participants reflected on the present state of Chemical Oceanography, where the community hopes to go and why, and actionable pathways to get there. A unifying concept among the discussions was that dissimilar funding structures and metrics of success may be required to accommodate the various levels of readiness and stages of knowledge development found throughout our community. In addition to the science, participants of the concurrent Dissertations Symposium in Chemical Oceanography (DISCO) XXV, a meeting of recent and forthcoming Ph.D. graduates in Chemical Oceanography, provided perspectives on how our field could show leadership in addressing long-standing diversity and early-career challenges that are pervasive throughout science. Here we summarize the COME ABOARD Meeting discussions, providing a synthesis of reflections and perspectives on the

Near-field environment research at PNL relevant to brine migration phenomena

International Nuclear Information System (INIS)

Pederson, L.R.; Gray, W.J.; Hodges, F.N.

1987-01-01

Heat and radiation resulting from emplacement of a high level nuclear waste package in a repository in salt will cause physical and chemical changes in the host rock and any brines present. These changes may alter the performance of waste package materials. Gamma radiolysis decomposes water into hydrogen and oxygen, hydrogen peroxide, and various other free radical and ionic species. Gamma ray irradiation of rock salt decomposes that salt to sodium metal colloids and neutral chlorine (unknown form), changing both its physical and chemical properties. Sodium metal will react, if contacted by water, to form sodium hydroxide plus hydrogen gas, while chlorine will react to form hydrochloric plus hypochlorous acids. If irradiated salts are completely dissolved, little impact on the chemical environment is expected because the acids and bases formed will neutralize each other. Heat from the waste package can alter the chemistry of the host rock. Changes in temperature can also alter the chemistry of brines by precipitation of phases with retrograde solubility, addition of more soluble salt components to the brine, and by reaction with clays and other impurities in the salt. Some of these reactions could be accompanied by significant shifts in the pH. In experiments to date, no important changes in chemistry have been observed when typical Permian Basin intrusion or inclusion brines were heated up to 150 0 C with no excess site-specific salt present. When excess salt was included, acidic shifts were noted, increasing with brine-salt interaction time and temperature

GoAmazon 2014/15 Thermal Desorption Chemical Ionization Mass Spectrometer (TDCIMS) Field Campaign Report

Energy Technology Data Exchange (ETDEWEB)

Smith, JN [Univ. of California, Irvine, CA (United States)

2016-04-01

The Thermal Desorption Chemical Ionization Mass Spectrometer (TDCIMS) deployment to the U.S. Department of Energy (DOE)’s Atmospheric Radiation Measurement (ARM) Climate Research Facility T3 site in Manacapuru, Brazil, was motivated by two main scientific objectives of the Green Ocean Amazon (GoAmazon) 2014/15 field campaign. 1) Study the interactions between anthropogenic and biogenic emissions by determining important molecular species in ambient nanoparticles. To address this, TDCIMS data will be combined with coincident measurements such as gas-phase sulfuric acid to determine the contribution of sulfuric acid condensation to nucleation and growth. We can then compare that result to TDCIMS-derived nanoparticle composition to determine the fraction of growth that can be attributed to the uptake of organic compounds. The molecular composition of sampled particles will also be used to attribute specific chemical species and mechanisms to growth, such as the condensation of low-volatility species or the oligomerization of α-dicarbonyl compounds. 2) Determine the source of new ambient nanoparticles in the Amazon. The hypothesis prior to measurements was that potassium salts formed from the evaporation of primary particles emitted by fungal spores can provide a unique and important pathway for new particle production in the Amazon basin. To explore this hypothesis, the TDCIMS recorded the mass spectra of sampled ambient particles using a protonated water cluster Chemical Ionization Mass Spectrometer (CIMS). Laboratory tests performed using potassium salts show that the TDCIMS can detect potassium with high sensitivity with this technique.

Exponential growth of new chemicals and evolution of information relevant to risk control.

Science.gov (United States)

Binetti, Roberto; Costamagna, Francesca Marina; Marcello, Ida

2008-01-01

The number of new chemicals synthesized and marketed increases exponentially. The database CAS REGISTRY at present contains more than 33 million organic and inorganic substances. However, the little information regarding the potential hazard associated with a large amount of chemicals is an old known problem in the European Union and also in the United States. This critical problem may find a solution in the collaboration of the different involved countries and in a planned task setting at international level. Both in the United States (e.g., the "Gore Initiative") and in European Union (the REACH policy) a big effort has been dedicated to this solution, within standardized procedures and an appropriate collaboration.

Field emission properties of nano-structured cobalt ferrite (CoFe2O4) synthesized by low-temperature chemical method

Science.gov (United States)

Ansari, S. M.; Suryawanshi, S. R.; More, M. A.; Sen, Debasis; Kolekar, Y. D.; Ramana, C. V.

2018-06-01

We report on the field-emission properties of structure-morphology controlled nano-CoFe2O4 (CFO) synthesized via a simple and low-temperature chemical method. Structural analyses indicate that the spongy-CFO (approximately, 2.96 nm) is nano-structured, spherical, uniformly-distributed, cubic-structured and porous. Field emission studies reveal that CFO exhibit low turn-on field (4.27 V/μm) and high emission current-density (775 μA/cm2) at a lower applied electric field of 6.80 V/μm. In addition, extremely good emission current stability is obtained at a pre-set value of 1 μA and high emission spot-density over large area (2 × 2 cm2) suggesting the applicability of these materials for practical applications in vacuum micro-/nano-electronics.

Advances in chemical physics

CERN Document Server

Rice, Stuart A

2012-01-01

The Advances in Chemical Physics series-the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics field with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics. This volume explores: Quantum Dynamical Resonances in Ch

Mixture toxicity of PBT-like chemicals

DEFF Research Database (Denmark)

Syberg, Kristian; Dai, Lina; Ramskov, Tina

addition is a suitable model for default estimations of mixture effects. One of the major challenges is therefore how to select specific chemicals for actual mixture toxicity assessments. Persistant chemicals are likely to be present in the environment for an extended period of time, thus increasing...... the likelihood of them being present in environmentally found mixtures. Persistant, bioaccumulative and toxic (PBT) chemicals are therefore a highly relevant group of chemicals to consider for mixture toxicity regulation. The present study evaluates to what extent a number of PBT-like chemicals posess concern...... beyond that of the individual components. Firstly, the effects of three chemicals with PBT-like properties (acetyl cedrene, pyrene and triclosan) was examined on the freshwater snail, Potamopyrgus antipodarum. Secondly, mixture bioaccumulation of the same three chemicals were assessed experimentally...

Chemical Structure-Biological Activity Models for Pharmacophores’ 3D-Interactions

Directory of Open Access Journals (Sweden)

Mihai V. Putz

2016-07-01

Full Text Available Within medicinal chemistry nowadays, the so-called pharmaco-dynamics seeks for qualitative (for understanding and quantitative (for predicting mechanisms/models by which given chemical structure or series of congeners actively act on biological sites either by focused interaction/therapy or by diffuse/hazardous influence. To this aim, the present review exposes three of the fertile directions in approaching the biological activity by chemical structural causes: the special computing trace of the algebraic structure-activity relationship (SPECTRAL-SAR offering the full analytical counterpart for multi-variate computational regression, the minimal topological difference (MTD as the revived precursor for comparative molecular field analyses (CoMFA and comparative molecular similarity indices analysis (CoMSIA; all of these methods and algorithms were presented, discussed and exemplified on relevant chemical medicinal systems as proton pump inhibitors belonging to the 4-indolyl,2-guanidinothiazole class of derivatives blocking the acid secretion from parietal cells in the stomach, the 1-[(2-hydroxyethoxy-methyl]-6-(phenylthiothymine congeners’ (HEPT ligands antiviral activity against Human Immunodeficiency Virus of first type (HIV-1 and new pharmacophores in treating severe genetic disorders (like depression and psychosis, respectively, all involving 3D pharmacophore interactions.

Group Analysis of Free Convection Flow of a Magnetic Nanofluid with Chemical Reaction

Directory of Open Access Journals (Sweden)

Md. Jashim Uddin

2015-01-01

Full Text Available A theoretical study of two-dimensional magnetohydrodynamics viscous incompressible free convective boundary layer flow of an electrically conducting, chemically reacting nanofluid from a convectively heated permeable vertical surface is presented. Scaling group of transformations is used in the governing equations and the boundary conditions to determine absolute invariants. A third-order ordinary differential equation which corresponds to momentum conservation and two second-order ordinary differential equations which correspond to energy and nanoparticle volume fraction (species conservation are derived. Our (group analysis indicates that, for the similarity solution, the convective heat transfer coefficient and mass transfer velocity are proportional to x-1/4 whilst the reaction rate is proportional to x-1/2, where x is the axial distance from the leading edge of the plate. The effects of the relevant controlling parameters on the dimensionless velocity, temperature, and nanoparticle volume fraction are examined. The accuracy of the technique we have used was tested by performing comparisons with the results of published work and the results were found to be in good agreement. The present computations indicate that the flow is accelerated and temperature enhanced whereas nanoparticle volume fractions are decreased with increasing order of chemical reaction. Furthermore the flow is strongly decelerated, whereas the nanoparticle volume fraction and temperature are enhanced with increasing magnetic field parameter. Increasing convection-conduction parameter increases velocity and temperatures but has a weak influence on nanoparticle volume fraction distribution. The present study demonstrates the thermal enhancement achieved with nanofluids and also magnetic fields and is of relevance to nanomaterials processing.

Chemical Concentrations in Field Mice from Open-Detonation Firing Sites TA-36 Minie and TA-39 Point 6 at Los Alamos National Laboratory

Energy Technology Data Exchange (ETDEWEB)

Fresquez, Philip R. [Los Alamos National Laboratory

2011-01-01

Field mice (mostly Peromyscus spp.) were collected at two open-detonation (high explosive) firing sites - Minie at Technical Area (TA) 36 and Point 6 at TA-39 - at Los Alamos National Laboratory in August of 2010 and in February of 2011 for chemical analysis. Samples of whole body field mice from both sites were analyzed for target analyte list elements (mostly metals), dioxin/furans, polychlorinated biphenyl congeners, high explosives, and perchlorate. In addition, uranium isotopes were analyzed in a composite sample collected from TA-36 Minie. In general, all constituents, with the exception of lead at TA-39 Point 6, in whole body field mice samples collected from these two open-detonation firing sites were either not detected or they were detected below regional statistical reference levels (99% confidence level), biota dose screening levels, and/or soil ecological chemical screening levels. The amount of lead in field mice tissue collected from TA-39 Point 6 was higher than regional background, and some lead levels in the soil were higher than the ecological screening level for the field mouse; however, these levels are not expected to affect the viability of the populations over the site as a whole.

POSSIBLE NATURE OF THE RADIATION-INDUCED SIGNAL IN NAILS: HIGH-FIELD EPR, CONFIRMING CHEMICAL SYNTHESIS, AND QUANTUM CHEMICAL CALCULATIONS

Science.gov (United States)

Tipikin, Dmitriy S.; Swarts, Steven G.; Sidabras, Jason W.; Trompier, François; Swartz, Harold M.

2016-01-01

Exposure of finger- and toe-nails to ionizing radiation generates an Electron Paramagnetic Resonance (EPR) signal whose intensity is dose dependent and stable at room temperature for several days. The dependency of the radiation-induced signal (RIS) on the received dose may be used as the basis for retrospective dosimetry of an individual's fortuitous exposure to ionizing radiation. Two radiation-induced signals, a quasi-stable (RIS2) and stable signal (RIS5), have been identified in nails irradiated up to a dose of 50 Gy. Using X-band EPR, both RIS signals exhibit a singlet line shape with a line width around 1.0 mT and an apparent g-value of 2.0044. In this work, we seek information on the exact chemical nature of the radiation-induced free radicals underlying the signal. This knowledge may provide insights into the reason for the discrepancy in the stabilities of the two RIS signals and help develop strategies for stabilizing the radicals in nails or devising methods for restoring the radicals after decay. In this work an analysis of high field (94 GHz and 240 GHz) EPR spectra of the RIS using quantum chemical calculations, the oxidation–reduction properties and the pH dependence of the signal intensities are used to show that spectroscopic and chemical properties of the RIS are consistent with a semiquinone-type radical underlying the RIS. It has been suggested that semiquinone radicals formed on trace amounts of melanin in nails are the basis for the RIS signals. However, based on the quantum chemical calculations and chemical properties of the RIS, it is likely that the radicals underlying this signal are generated from the radiolysis of L-3,4-dihydroxyphenylalanine (DOPA) amino acids in the keratin proteins. These DOPA amino acids are likely formed from the exogenous oxidation of tyrosine in keratin by the oxygen from the air prior to irradiation. We show that these DOPA amino acids can work as radical traps, capturing the highly reactive and unstable

Field electron emission characteristics of chemical vapour deposition diamond films with controlled sp2 phase concentration

International Nuclear Information System (INIS)

Lu, X.; Yang, Q.; Xiao, C.; Hirose, A.

2008-01-01

Diamond films were synthesized in a microwave plasma-enhanced chemical vapour deposition reactor. The microstructure and surface morphology of deposited films were characterized by Raman spectroscope and scanning electron microscope. The sp 2 phase concentration in diamond films was varied and its effect on the field electron emission (FEE) properties was investigated. Diamond films deposited under higher methane concentration exhibit better FEE property including lower turn-on electric field and larger emission current. The predominating factor modifying the FEE property is presumed to be the increase of sp 2 phase concentration. The influence of bias voltage on the FEE property of diamond films is not monotonic. Postgrowth acid treatment reduces the sp 2 phase content in diamond films without changing diamond grain sizes. The corresponding FEE property was degraded

Distribution of Pb and Zn and their chemical specieisations in the paddy soils from the Kochani field (Macedonia)

International Nuclear Information System (INIS)

Rogan, Nastja; Todor, Serafimovski; Tasev, Goran; Dolenec, Tadej; Dolenec, Matej

2009-01-01

The distribution and chemical specifications of Pb and Zn in the paddy soils of Kochani Field, Macedonia, were investigated using a sequential extraction procedure. This study was carried out in order to develop an understanding of the metal contamination found in the area which is due to historical and recent mining operations around Kochani Field. The paddy soil sample from location VII-2 in the vicinity of Zletovo mine in the western part of Kochani Field was found to contain highly elevated concentrations of Pb and Zn which are under reduction conditions very unstable and mobile. According to the total Pb and Zn concentrations, their mobility characteristics and the index of geo accumulation for all studied soil samples, it is observable that the paddy soil sample from location VII-2 represents a potential environmental risk.

Assessing ecorelevance of emerging chemicals in sediments

DEFF Research Database (Denmark)

Forbes, Valery E.; Selck, Henriette; Salvito, D.

2007-01-01

Environmental monitoring of the Great Lakes and elsewhere has detected the presence of a wide variety of chemicals which has raised concern that these chemicals pose risks to resident species. Sediments are of particular interest due to their tendency to accumulate hydrophobic and persistent...... chemicals and because less is known about toxic effects of chemicals to sediment-feeding organisms than to pelagic species. Data collected on the polycyclic musks provides available evidence relevant to assessing exposure and effects in Great Lakes' sediments. Studies at Roskilde University demonstrate how...

Advances in chemical physics

CERN Document Server

Rice, Stuart A

2014-01-01

Advances in Chemical Physics is the only series of volumes available that explores the cutting edge of research in chemical physics. This is the only series of volumes available that presents the cutting edge of research in chemical physics.Includes contributions from experts in this field of research.Contains a representative cross-section of research that questions established thinking on chemical solutions.Structured with an editorial framework that makes the book an excellent supplement to an advanced graduate class in physical chemistry or chemical physics.

Oscillating field current drive for reversed field pinch discharges

International Nuclear Information System (INIS)

Schoenberg, K.F.; Gribble, R.F.; Baker, D.A.

1984-06-01

Oscillating Field Current Drive (OFCD), also known as F-THETA pumping, is a steady-state current-drive technique proposed for the Reversed Field Pinch (RFP). Unlike other current-drive techniques, which employ high-technology, invasive, and power intensive schemes using radio frequency or neutral particle injection, F-THETA pumping entails driving the toroidal and poloidal magnetic field circuits with low-frequency (audio) oscillating voltage sources. Current drive by this technique is a consequence of the strong nonlinear plasma coupling in the RFP. Because of its low frequency and efficient plasma coupling, F-THETA pumping shows excellent promise as a reactor-relevant current-drive technique. A conceptual and computational study of this concept, including its experimental and reactor relevance, is explored in this paper

Evaluation of food-relevant chemicals in the ToxCast high-throughput screening program

Data.gov (United States)

U.S. Environmental Protection Agency — Thousands of chemicals are directly added to or come in contact with food, many of which have undergone little to no toxicological evaluation. The landscape of the...

Controlling the diameters and field emission properties of vertically aligned carbon nanotubes synthesized by thermal chemical vapor deposition

International Nuclear Information System (INIS)

Choi, Sung Yool; Kang, Young Il; Cho, Kyoung Ik; Choi, Kyu Seok; Kim, Do Jin

2001-01-01

We report here the synthesis of vertically well-aligned carbon nanotubes and the effect of catalytic metal layer on the diameter of grown carbon nanotubes and the field emission characteristics of them, The carbon nanotubes were grown by thermal chemical vapor deposition at temperatures below 900 .deg. C on Fe metal catalytic layer, deposited by sputtering process on a Si substrate and pretreated by heat and NH 3 gas. We found that the thickness of metal layers could be an important parameter in controlling the diameters of carbon nanotubes. With varying the thickness of the metal layers the grain sizes of them also vary so that the diameters of the nanotubes could be controlled. Field emission measurement has been made on the carbon nanotube field emitters at room temperature in a vacuum chamber below 10 -6 Torr. Our vertically aligned carbon nanotube field emitter of the smallest diameter emits a current density about 10 mA/cm 2 at 7.2 V/μm. The field emission property of the carbon nanotubes shows strong dependence on the nanotube diameters as expected

Global Controllability of Chemical Reactions

OpenAIRE

Drexler, Dániel András; Tóth, János

2015-01-01

Controllability of chemical reactions is an important problem in chemical engineering science. In control theory, analysis of the controllability of linear systems is well-founded, however the dynamics of chemical reactions is usually nonlinear. Global controllability properties of chemical reactions are analyzed here based on the Lie-algebra of the vector fields associated to elementary reactions. A chemical reaction is controllable almost everywhere if all the reaction rate coefficients can...

Cost effectiveness of dilute chemical decontamination

International Nuclear Information System (INIS)

Le Surf, J.E.; Weyman, G.D.

1983-01-01

The origin and basic principles of the dilute chemical decontamination (DCD) concept are described and illustrated by reference to the CAN-DECON process. The estimated dose savings from the actual application of the process at several reactors are presented and discussed. Two methods of performing a cost/benefit appraisal are described and discussed. This methodology requires more study by the nuclear industry, including collection by station staff of relevant data on which future cost/benefit appraisals may be based. Finally, three illustrative cases are examinated to show the breakeven point and potential savings achievable by DCD with different initial radiation fields and different amounts of work to be done. The overall conclusion is that there are many situations in which DCD is desirable to reduce radiation exposure of workers, to save costs to the station, and to ease the performance of maintenance and repair work on reactor systems

Characterizing Slow Chemical Exchange in Nucleic Acids by Carbon CEST and Low Spin-Lock Field R1ρ NMR Spectroscopy

Science.gov (United States)

Zhao, Bo; Hansen, Alexandar L.; Zhang, Qi

2016-01-01

Quantitative characterization of dynamic exchange between various conformational states provides essential insights into the molecular basis of many regulatory RNA functions. Here, we present an application of nucleic-acid-optimized carbon chemical exchange saturation transfer (CEST) and low spin-lock field R1ρ relaxation dispersion (RD) NMR experiments in characterizing slow chemical exchange in nucleic acids that is otherwise difficult if not impossible to be quantified by the ZZ-exchange NMR experiment. We demonstrated the application on a 47-nucleotide fluoride riboswitch in the ligand-free state, for which CEST and R1ρ RD profiles of base and sugar carbons revealed slow exchange dynamics involving a sparsely populated (p ~ 10%) and shortly lived (τ ~ 10 ms) NMR “invisible” state. The utility of CEST and low spin-lock field R1ρ RD experiments in studying slow exchange was further validated in characterizing an exchange as slow as ~60 s−1. PMID:24299272

Characterizing slow chemical exchange in nucleic acids by carbon CEST and low spin-lock field R(1ρ) NMR spectroscopy.

Science.gov (United States)

Zhao, Bo; Hansen, Alexandar L; Zhang, Qi

2014-01-08

Quantitative characterization of dynamic exchange between various conformational states provides essential insights into the molecular basis of many regulatory RNA functions. Here, we present an application of nucleic-acid-optimized carbon chemical exchange saturation transfer (CEST) and low spin-lock field R(1ρ) relaxation dispersion (RD) NMR experiments in characterizing slow chemical exchange in nucleic acids that is otherwise difficult if not impossible to be quantified by the ZZ-exchange NMR experiment. We demonstrated the application on a 47-nucleotide fluoride riboswitch in the ligand-free state, for which CEST and R(1ρ) RD profiles of base and sugar carbons revealed slow exchange dynamics involving a sparsely populated (p ~ 10%) and shortly lived (τ ~ 10 ms) NMR "invisible" state. The utility of CEST and low spin-lock field R(1ρ) RD experiments in studying slow exchange was further validated in characterizing an exchange as slow as ~60 s(-1).

Whole system chemical geothermometry

International Nuclear Information System (INIS)

Pang Zhonghe

1999-01-01

Chemical and isotopic geothermometers are equations or models based on temperature dependent chemical reactions or isotope equilibrium fractionation reactions from which equilibrium temperatures of these reactions can be calculated. The major drawback of all the conventional geothermometry methods lies in their incapability on making a judgement on the equilibrium status of the studied systems. This review will focus on two of recent approaches in this field. Zhangzhou Geothermal Field in SE China will be used as an example to demonstrate the applications

A study of ruthenium complexes of some biologically relevant a-N ...

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 112; Issue 3. A study of ruthenium complexes of some biologically relevant ∙ -N-heterocyclic ... Author Affiliations. P Sengupta1 S Ghosh1. Department of Inorganic Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta 700 032, India ...

Radiation, chemicals, and occupational health research

International Nuclear Information System (INIS)

Turner, J.E.

1984-01-01

Radiation protection and its interplay with physical research programs are described. Differences and similarities between problems in health protection for chemicals and for radiation are discussed. The importance of dosimetry in radiation work and its relevance to chemicals are cited. A collaborative program between physical and biological scientists on the toxicity of metals is briefly described. It serves as an example of new research directed toward the development of fundamental concepts and principles as a basis for understanding and controlling occupational and population exposures to chemicals. 12 references, 4 figures

Chemical process safety at fuel cycle facilities

International Nuclear Information System (INIS)

Ayres, D.A.

1997-08-01

This NUREG provides broad guidance on chemical safety issues relevant to fuel cycle facilities. It describes an approach acceptable to the NRC staff, with examples that are not exhaustive, for addressing chemical process safety in the safe storage, handling, and processing of licensed nuclear material. It expounds to license holders and applicants a general philosophy of the role of chemical process safety with respect to NRC-licensed materials; sets forth the basic information needed to properly evaluate chemical process safety; and describes plausible methods of identifying and evaluating chemical hazards and assessing the adequacy of the chemical safety of the proposed equipment and facilities. Examples of equipment and methods commonly used to prevent and/or mitigate the consequences of chemical incidents are discussed in this document

THE CURRENT STATE OF KNOWLEDGE IN THE VALUE RELEVANCE RESEARCH FIELD

OpenAIRE

Carmen- Alexandra BALTARIU

2015-01-01

The purpose of this paper is to assess the scientific literature referring to the value relevance of reported accounting information over a twelve year period starting from 2002. The approach of the paper is a theoretical (conceptual) one. In order to complete the purpose of the paper we selected as research method the longitudinal qualitative analysis. The qualitative analysis carried out presents a deductive character. Our conclusions regarding the general characteristics of the research fi...

Advances in chemical Physics

CERN Document Server

Rice, Stuart A

2011-01-01

The Advances in Chemical Physics series-the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series offers contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of che

Advances in chemical physics

CERN Document Server

Rice, Stuart A

2011-01-01

The Advances in Chemical Physics series-the cutting edge of research in chemical physics The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series offers contributions from internationally renowned chemists and serves as the perfect supplement to any advanced graduate class devoted to the study of che

Comparison of Three Sample Preparation Methods for Analysis of Chemical Warfare Agent Stimulants in Water

International Nuclear Information System (INIS)

Alessandro Sassolini

2015-01-01

Analytical chemistry in CBRNe (Chemical Biological Radiological Nuclear explosive) context requires not only high quality data; quickness, ruggedness and robustness are also mandatory. In this work, three samples preparation methods were compared using several organophosphorus pesticides as test compounds, used as stimulants of nerve CWA (Chemical Warfare Agents) to choose the one with best characteristics. Result was obtained better with the Dispersive Liquid-Liquid Micro Extraction (DLLME), relatively new in CBRNe field, obtaining uncertainty for different simulants between 8 and 15 % while a quantification limit between 0.01 and 0.08 μg/ l. To optimize this extraction method, different organo chlorinated solvents also tested but not relevant difference in these tests was obtained. In this work, all samples were analyzed by using a gas chromatography coupled with mass spectrometer (GC-MS) and also with Gas Chromatograph coupled with Nitrogen Phosphorous Detector (NPD) for DLLME samples to evaluate a low cost and rugged instrument adapt to field analytical methods with good performance in terms of uncertainty and sensibility even if poorer respect to the mass spectrometry. (author)

Seeking Relevance: American Political Science and America

Science.gov (United States)

Maranto, Robert; Woessner, Matthew C.

2012-01-01

In this article, the authors talk about the relevance of American political science and America. Political science has enormous strengths in its highly talented practitioners and sophisticated methods. However, its disconnection from its host society, while not so severe as for fields like English and sociology, nonetheless poses an existential…

Chemical stabilization of subgrade soil for the strategic expeditionary landing field

Science.gov (United States)

Conaway, M. H.

1983-06-01

The Strategic Expeditionary Landing Field (SELF) is a military expeditionary-type airfield with an aluminum matted surface that is designed for sustained tactical and cargo airlift operations in an amphibious objective area. Because of the operational traffic parameters such as loads of the various types of aircraft, tire pressures and volume of traffic, a base layer must be constructed over subgrade soil support conditions which may be only marginal. The base layer could be constructed with conventional soil construction techniques (compaction) and yield the required strength. It would be difficult, however, to maintain this strength for the required one-year service life under many climatic conditions due to the degrading effects of water on the support capacity of many soils. Chemical soil stabilization with lime, portland cement and asphalt stabilizing agents could be used to treat the soil. These additives, when properly mixed with certain types of soils, initiate reactions which will increase soil support strength and enhance durability (resistance to the degrading effects of water). Technically, this procedure is quite viable but logistically, it may not be feasible.

The Chemical Percolation Devolatilization Model Applied to the Devolatilization of Coal in High Intensity Acoustic Fields

Directory of Open Access Journals (Sweden)

Veras Carlos A. G.

2002-01-01

Full Text Available The chemical percolation devolatilization model (CPD was extended for the prediction of drying and devolatilization of coal particles in high intensity acoustic fields found in Rijke tube reactors. The acoustic oscillations enhance the heat and mass transfer processes in the fuel bed as well as in the freeboard, above the grate. The results from simulations in a Rijke tube combustor have shown an increase in the rate of water evaporation and thermal degradation of the particles. The devolatilization model, based on chemical percolation, applied in pulsating regime allowed the dynamic prediction on the yields of CO, CO2, CH4, H2O, other light gases as well as tar which are important on ignition and stabilization of flames. The model predicted the quantity and form of nitrogen containing species generated during devolatilization, for which knowledge is strategically indispensable for reducing pollutant emissions (NOx in flames under acoustic excitation .

Chemically etched fiber tips for near-field optical microscopy: a process for smoother tips.

Science.gov (United States)

Lambelet, P; Sayah, A; Pfeffer, M; Philipona, C; Marquis-Weible, F

1998-11-01

An improved method for producing fiber tips for scanning near-field optical microscopy is presented. The improvement consists of chemically etching quartz optical fibers through their acrylate jacket. This new method is compared with the previous one in which bare fibers were etched. With the new process the meniscus formed by the acid along the fiber does not move during etching, leading to a much smoother surface of the tip cone. Subsequent metallization is thus improved, resulting in better coverage of the tip with an aluminum opaque layer. Our results show that leakage can be avoided along the cone, and light transmission through the tip is spatially limited to an optical aperture of a 100-nm dimension.

Gene discovery by chemical mutagenesis and whole-genome sequencing in Dictyostelium.

Science.gov (United States)

Li, Cheng-Lin Frank; Santhanam, Balaji; Webb, Amanda Nicole; Zupan, Blaž; Shaulsky, Gad

2016-09-01

Whole-genome sequencing is a useful approach for identification of chemical-induced lesions, but previous applications involved tedious genetic mapping to pinpoint the causative mutations. We propose that saturation mutagenesis under low mutagenic loads, followed by whole-genome sequencing, should allow direct implication of genes by identifying multiple independent alleles of each relevant gene. We tested the hypothesis by performing three genetic screens with chemical mutagenesis in the social soil amoeba Dictyostelium discoideum Through genome sequencing, we successfully identified mutant genes with multiple alleles in near-saturation screens, including resistance to intense illumination and strong suppressors of defects in an allorecognition pathway. We tested the causality of the mutations by comparison to published data and by direct complementation tests, finding both dominant and recessive causative mutations. Therefore, our strategy provides a cost- and time-efficient approach to gene discovery by integrating chemical mutagenesis and whole-genome sequencing. The method should be applicable to many microbial systems, and it is expected to revolutionize the field of functional genomics in Dictyostelium by greatly expanding the mutation spectrum relative to other common mutagenesis methods. © 2016 Li et al.; Published by Cold Spring Harbor Laboratory Press.

Toxicity challenges in environmental chemicals: Prediction of ...

Science.gov (United States)

Physiologically based pharmacokinetic (PBPK) models bridge the gap between in vitro assays and in vivo effects by accounting for the adsorption, distribution, metabolism, and excretion of xenobiotics, which is especially useful in the assessment of human toxicity. Quantitative structure-activity relationships (QSAR) serve as a vital tool for the high-throughput prediction of chemical-specific PBPK parameters, such as the fraction of a chemical unbound by plasma protein (Fub). The presented work explores the merit of utilizing experimental pharmaceutical Fub data for the construction of a universal QSAR model, in order to compensate for the limited range of high-quality experimental Fub data for environmentally relevant chemicals, such as pollutants, pesticides, and consumer products. Independent QSAR models were constructed with three machine-learning algorithms, k nearest neighbors (kNN), random forest (RF), and support vector machine (SVM) regression, from a large pharmaceutical training set (~1000) and assessed with independent test sets of pharmaceuticals (~200) and environmentally relevant chemicals in the ToxCast program (~400). Small descriptor sets yielded the optimal balance of model complexity and performance, providing insight into the biochemical factors of plasma protein binding, while preventing over fitting to the training set. Overlaps in chemical space between pharmaceutical and environmental compounds were considered through applicability of do

Effects of chemical smokes on flora and fauna under field and laboratory exposures.

Science.gov (United States)

Schaeffer, D J; Novak, E W; Lower, W R; Yanders, A; Kapila, S; Wang, R

1987-06-01

Various types of obscurant smokes are used routinely in training by the U.S. Army. Because continued routine use of the smokes could be detrimental to the native flora and fauna at training sites, a preliminary biological and chemical field study of fogoil, hexachloroethane, and tank diesel smokes was conducted. Smoke plumes were sampled and chemically analyzed at distances of 15-150 m from the smoke source where Tradescantia clones 4430 and 03 and the native plant Ambrosia dumosa and the native rodent Dipodomys merriami were exposed for 30 min. In addition, Tradescantia clone 4430 was exposed to tank diesel in the laboratory at concentration levels equivalent to exposure at 15 and 50 m. Tradescantia clones were examined for mutagenic effects indicated by micronuclei induction in developing pollen and pink somatic mutations in stamen hairs. Photosynthetic perturbations were measured in Tradescantia and A. dumosa using variable fluorescence induction. Animals were examined for sister chromatid exchanges and chromosome aberrations. It was found that all of the smokes tested exerted varying degrees of physiological and mutagenic effects in one or more assay system at one or more exposure distance. The studies reported here indicate that exposed ecological systems, or at least components of these systems, are at a higher risk than are unexposed components (e.g., organisms) for several types of damage attributed to obscurant smoke exposure.

Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Engineering of polymers and composite materials. Catalysis in chemical engineering

International Nuclear Information System (INIS)

Zakhodyaeva, Yu.A.; Belova, V.V.

2012-01-01

In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning polymer and composite materials technology as well as catalysis in chemical engineering. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

Complex mixtures: Relevance of combined exposure to substances at low dose levels

NARCIS (Netherlands)

Leeman, W.R.; Krul, L.; Houben, G.F.

2013-01-01

Upon analysis of chemically complex food matrices a forest of peaks is likely to be found. Identification of these peaks and concurrent determination of the toxicological relevance upon exposure is very time consuming, expensive and often requires animal studies. Recently, a safety assessment

A Computer Oriented Scheme for Coding Chemicals in the Field of Biomedicine.

Science.gov (United States)

Bobka, Marilyn E.; Subramaniam, J.B.

The chemical coding scheme of the Medical Coding Scheme (MCS), developed for use in the Comparative Systems Laboratory (CSL), is outlined and evaluated in this report. The chemical coding scheme provides a classification scheme and encoding method for drugs and chemical terms. Using the scheme complicated chemical structures may be expressed…

Chemical bond fundamental aspects of chemical bonding

CERN Document Server

Frenking, Gernot

2014-01-01

This is the perfect complement to ""Chemical Bonding - Across the Periodic Table"" by the same editors, who are two of the top scientists working on this topic, each with extensive experience and important connections within the community. The resulting book is a unique overview of the different approaches used for describing a chemical bond, including molecular-orbital based, valence-bond based, ELF, AIM and density-functional based methods. It takes into account the many developments that have taken place in the field over the past few decades due to the rapid advances in quantum chemica

POSSIBLE NATURE OF THE RADIATION-INDUCED SIGNAL IN NAILS: HIGH-FIELD EPR, CONFIRMING CHEMICAL SYNTHESIS, AND QUANTUM CHEMICAL CALCULATIONS.

Science.gov (United States)

Tipikin, Dmitriy S; Swarts, Steven G; Sidabras, Jason W; Trompier, François; Swartz, Harold M

2016-12-01

Exposure of finger- and toe-nails to ionizing radiation generates an Electron Paramagnetic Resonance (EPR) signal whose intensity is dose dependent and stable at room temperature for several days. The dependency of the radiation-induced signal (RIS) on the received dose may be used as the basis for retrospective dosimetry of an individual's fortuitous exposure to ionizing radiation. Two radiation-induced signals, a quasi-stable (RIS2) and stable signal (RIS5), have been identified in nails irradiated up to a dose of 50 Gy. Using X-band EPR, both RIS signals exhibit a singlet line shape with a line width around 1.0 mT and an apparent g-value of 2.0044. In this work, we seek information on the exact chemical nature of the radiation-induced free radicals underlying the signal. This knowledge may provide insights into the reason for the discrepancy in the stabilities of the two RIS signals and help develop strategies for stabilizing the radicals in nails or devising methods for restoring the radicals after decay. In this work an analysis of high field (94 GHz and 240 GHz) EPR spectra of the RIS using quantum chemical calculations, the oxidation-reduction properties and the pH dependence of the signal intensities are used to show that spectroscopic and chemical properties of the RIS are consistent with a semiquinone-type radical underlying the RIS. It has been suggested that semiquinone radicals formed on trace amounts of melanin in nails are the basis for the RIS signals. However, based on the quantum chemical calculations and chemical properties of the RIS, it is likely that the radicals underlying this signal are generated from the radiolysis of L-3,4-dihydroxyphenylalanine (DOPA) amino acids in the keratin proteins. These DOPA amino acids are likely formed from the exogenous oxidation of tyrosine in keratin by the oxygen from the air prior to irradiation. We show that these DOPA amino acids can work as radical traps, capturing the highly reactive and unstable sulfur

KRISTALLIN-I: estimates of solubility limits for safety relevant radionuclides

International Nuclear Information System (INIS)

Berner, U.

1995-04-01

The safety concept for the Swiss high level radioactive waste repository is based on a multiple barrier system. Within the concept of the safety analysis KRISTALLIN-I, the waste glass starts corroding after failure of the massive steel canister and nuclides are released to the bentonite backfill. This release is limited by restricted solubility of solid phases. The present work quantifies the maximum expected concentrations of the elements Th, Pa, U, Np, Pu, Am, Cm, Tc, Ni, Pd, Se, Ra, Zr, Nb, Sn, Pb, Sb, Bi and Sm within the reference bentonite porewater with pH = 9, Eh = -400 mV and I = 0.08 M at 50 o C. In a first step, maximum expected concentrations were calculated with a geochemical speciation code (MINEQL) based on a documented thermodynamic database. In a second step, the values obtained in this way were carefully reviewed and modified, based on extended geochemical considerations and system-dependent parameters. Thereby, the relevance of potentially limiting solids, chemical analogies, absolute and relative inventories and recent experimental findings from laboratory and natural systems were particularly considered. The expected groundwater composition in the crystalline host rock (modified by the barrier material bentonite) covers a rather narrow pH range from 8.5 to 9. Within this narrow pH range, solubility limits may be termed as pH independent since computable pH effects are never significant compared to the general uncertainty of the solubility limits. The chemical model defining the reference groundwater predicts a system-wide Eh ranging from -400 mV up to +100 mV. A slightly oxidising near-field will stabilize the generally more soluble higher oxidation states of redox sensitive radionuclides. Based on the available thermodynamic data the elements U, Tc, Se and Pa are predicted not to be solubility limited at +75 mV. Therefore, a more detailed investigation of the redox behaviour of critical elements and, much more importantly, a very careful

Test of piezo-ceramic motor technology in ITER relevant high magnetic fields

Energy Technology Data Exchange (ETDEWEB)

Monti, Chiara, E-mail: chiara.monti@enea.it [Associazione EURATOM-ENEA sulla Fusione, via Enrico Fermi 45, 00044 Frascati, Rome (Italy); Besi Vetrella, Ugo; Mugnaini, Giampiero; Neri, Carlo; Rossi, Paolo; Viola, Rosario [Associazione EURATOM-ENEA sulla Fusione, via Enrico Fermi 45, 00044 Frascati, Rome (Italy); Dubus, Gregory; Damiani, Carlo [Fusion for Energy, c/ Josep Pla, 2 Torres Diagonal Litoral, 08019 Barcelona (Spain)

2014-10-15

In the framework of a Fusion for Energy (F4E) grant, a test campaign started in 2012 in order to assess the performance of the in-vessel viewing system (IVVS) probe concept and to verify its compatibility when exposed to ITER typical working conditions. ENEA laboratories went through with several tests simulating high magnetic fields, high temperature, high vacuum, gamma radiation and neutron radiation. A customized motor has been adopted to study the performances of ultrasonic piezo motors technology in high magnetic field conditions. This paper reports on the testing activity performed on the motor in a multi Tesla magnetic field. The job was carried out in a test facility of ENEA laboratories able to achieve 14 T. A maximum field of 10 T, fully compliant with ITER requirements (8 T), was applied. A specific mechanical assembly has been designed and manufactured to hold the motor in the region with high homogeneity of the field. Results obtained so far indicate that the motor is compatible with high magnetic fields, and are presented in the paper.

Immunolabeling of fingermarks left on forensic relevant surfaces, including thermal paper

NARCIS (Netherlands)

van Dam, Annemieke; van Nes, Kirsten A.; Aalders, Maurice C. G.; van Leeuwen, Ton G.; Lambrechts, Saskia A. G.

2014-01-01

The chemical composition of a fingermark contains donor profiling information. Immunolabeling is a technique that can be used to retrieve this chemical information from fingermarks. Additionally, immunolabeling can be used to (re) develop fingermarks. To be of interest in the forensic field, the

Chemical Atmosphere-Snow-Sea Ice Interactions: defining future research in the field, lab and modeling

Science.gov (United States)

Frey, Markus

2015-04-01

The air-snow-sea ice system plays an important role in the global cycling of nitrogen, halogens, trace metals or carbon, including greenhouse gases (e.g. CO2 air-sea flux), and therefore influences also climate. Its impact on atmospheric composition is illustrated for example by dramatic ozone and mercury depletion events which occur within or close to the sea ice zone (SIZ) mostly during polar spring and are catalysed by halogens released from SIZ ice, snow or aerosol. Recent field campaigns in the high Arctic (e.g. BROMEX, OASIS) and Antarctic (Weddell sea cruises) highlight the importance of snow on sea ice as a chemical reservoir and reactor, even during polar night. However, many processes, participating chemical species and their interactions are still poorly understood and/or lack any representation in current models. Furthermore, recent lab studies provide a lot of detail on the chemical environment and processes but need to be integrated much better to improve our understanding of a rapidly changing natural environment. During a 3-day workshop held in Cambridge/UK in October 2013 more than 60 scientists from 15 countries who work on the physics, chemistry or biology of the atmosphere-snow-sea ice system discussed research status and challenges, which need to be addressed in the near future. In this presentation I will give a summary of the main research questions identified during this workshop as well as ways forward to answer them through a community-based interdisciplinary approach.

Carbon nanostructure-based field-effect transistors for label-free chemical/biological sensors.

Science.gov (United States)

Hu, PingAn; Zhang, Jia; Li, Le; Wang, Zhenlong; O'Neill, William; Estrela, Pedro

2010-01-01

Over the past decade, electrical detection of chemical and biological species using novel nanostructure-based devices has attracted significant attention for chemical, genomics, biomedical diagnostics, and drug discovery applications. The use of nanostructured devices in chemical/biological sensors in place of conventional sensing technologies has advantages of high sensitivity, low decreased energy consumption and potentially highly miniaturized integration. Owing to their particular structure, excellent electrical properties and high chemical stability, carbon nanotube and graphene based electrical devices have been widely developed for high performance label-free chemical/biological sensors. Here, we review the latest developments of carbon nanostructure-based transistor sensors in ultrasensitive detection of chemical/biological entities, such as poisonous gases, nucleic acids, proteins and cells.

Relevance of counselling to human resource management in ...

African Journals Online (AJOL)

However, literature has shown that counselling is universal and useful in all fields of human endeavours. This paper therefore brings into focus the relevance of counselling to human resource management in organizations. It defines counselling, resource management and identifies various services that counsellors perform ...

A survey on trace organic chemicals in a German water protection area and the proposal of relevant indicators for anthropogenic influences.

Science.gov (United States)

Seitz, Wolfram; Winzenbacher, Rudi

2017-06-01

A comprehensive monitoring programme of trace organic chemicals (TOrC) was conducted for a German water protection area in karstic ground. The aim of this survey was to detect the potential anthropogenic influences of point sources such as wastewater treatment plants and diffuse pollution such as runoff water from roads on the raw water used for drinking water treatment. The programme comprised seven sampling campaigns within 2 years each with up to 20 sampling sites. In total, the programme included 84 anthropogenic compounds from pharmaceuticals, iodinated X-ray contrast media, sweeteners, industrial chemicals (benzotriazoles, melamines and benzothiazoles) and pesticide metabolites. Cyclamate occurred with the highest median concentration of 44 μg l -1 in untreated wastewater and acesulfame occurred with a concentration of 20 μg l -1 in treated wastewater. In runoff water from roads, the most relevant compounds were tolyltriazole with 2.3 μg l -1 and the desphenyl-chloridazon with 1.2 μg l -1 . In the stream waters, the highest median concentrations were found for melamine and acesulfame both at 0.61 μg l -1 . High elimination during conventional wastewater treatment was observed for 5 out of 49 compounds. These are acetyl-sulfamethoxazole, aciclovir, cyclamate, ibuprofen and saccharin. Based on the survey results, we propose a set of nine compounds to be used as indicators for wastewater, untreated wastewater and runoff water from roads for an efficient surveillance. The indicators are intended to detect anthropogenic influences in surface, ground and drinking water.

Self-organizing ontology of biochemically relevant small molecules.

Science.gov (United States)

Chepelev, Leonid L; Hastings, Janna; Ennis, Marcus; Steinbeck, Christoph; Dumontier, Michel

2012-01-06

The advent of high-throughput experimentation in biochemistry has led to the generation of vast amounts of chemical data, necessitating the development of novel analysis, characterization, and cataloguing techniques and tools. Recently, a movement to publically release such data has advanced biochemical structure-activity relationship research, while providing new challenges, the biggest being the curation, annotation, and classification of this information to facilitate useful biochemical pattern analysis. Unfortunately, the human resources currently employed by the organizations supporting these efforts (e.g. ChEBI) are expanding linearly, while new useful scientific information is being released in a seemingly exponential fashion. Compounding this, currently existing chemical classification and annotation systems are not amenable to automated classification, formal and transparent chemical class definition axiomatization, facile class redefinition, or novel class integration, thus further limiting chemical ontology growth by necessitating human involvement in curation. Clearly, there is a need for the automation of this process, especially for novel chemical entities of biological interest. To address this, we present a formal framework based on Semantic Web technologies for the automatic design of chemical ontology which can be used for automated classification of novel entities. We demonstrate the automatic self-assembly of a structure-based chemical ontology based on 60 MeSH and 40 ChEBI chemical classes. This ontology is then used to classify 200 compounds with an accuracy of 92.7%. We extend these structure-based classes with molecular feature information and demonstrate the utility of our framework for classification of functionally relevant chemicals. Finally, we discuss an iterative approach that we envision for future biochemical ontology development. We conclude that the proposed methodology can ease the burden of chemical data annotators and

Self-organizing ontology of biochemically relevant small molecules

Science.gov (United States)

2012-01-01

Background The advent of high-throughput experimentation in biochemistry has led to the generation of vast amounts of chemical data, necessitating the development of novel analysis, characterization, and cataloguing techniques and tools. Recently, a movement to publically release such data has advanced biochemical structure-activity relationship research, while providing new challenges, the biggest being the curation, annotation, and classification of this information to facilitate useful biochemical pattern analysis. Unfortunately, the human resources currently employed by the organizations supporting these efforts (e.g. ChEBI) are expanding linearly, while new useful scientific information is being released in a seemingly exponential fashion. Compounding this, currently existing chemical classification and annotation systems are not amenable to automated classification, formal and transparent chemical class definition axiomatization, facile class redefinition, or novel class integration, thus further limiting chemical ontology growth by necessitating human involvement in curation. Clearly, there is a need for the automation of this process, especially for novel chemical entities of biological interest. Results To address this, we present a formal framework based on Semantic Web technologies for the automatic design of chemical ontology which can be used for automated classification of novel entities. We demonstrate the automatic self-assembly of a structure-based chemical ontology based on 60 MeSH and 40 ChEBI chemical classes. This ontology is then used to classify 200 compounds with an accuracy of 92.7%. We extend these structure-based classes with molecular feature information and demonstrate the utility of our framework for classification of functionally relevant chemicals. Finally, we discuss an iterative approach that we envision for future biochemical ontology development. Conclusions We conclude that the proposed methodology can ease the burden of

Self-organizing ontology of biochemically relevant small molecules

Directory of Open Access Journals (Sweden)

Chepelev Leonid L

2012-01-01

Full Text Available Abstract Background The advent of high-throughput experimentation in biochemistry has led to the generation of vast amounts of chemical data, necessitating the development of novel analysis, characterization, and cataloguing techniques and tools. Recently, a movement to publically release such data has advanced biochemical structure-activity relationship research, while providing new challenges, the biggest being the curation, annotation, and classification of this information to facilitate useful biochemical pattern analysis. Unfortunately, the human resources currently employed by the organizations supporting these efforts (e.g. ChEBI are expanding linearly, while new useful scientific information is being released in a seemingly exponential fashion. Compounding this, currently existing chemical classification and annotation systems are not amenable to automated classification, formal and transparent chemical class definition axiomatization, facile class redefinition, or novel class integration, thus further limiting chemical ontology growth by necessitating human involvement in curation. Clearly, there is a need for the automation of this process, especially for novel chemical entities of biological interest. Results To address this, we present a formal framework based on Semantic Web technologies for the automatic design of chemical ontology which can be used for automated classification of novel entities. We demonstrate the automatic self-assembly of a structure-based chemical ontology based on 60 MeSH and 40 ChEBI chemical classes. This ontology is then used to classify 200 compounds with an accuracy of 92.7%. We extend these structure-based classes with molecular feature information and demonstrate the utility of our framework for classification of functionally relevant chemicals. Finally, we discuss an iterative approach that we envision for future biochemical ontology development. Conclusions We conclude that the proposed methodology

Synthetic Biology for Specialty Chemicals.

Science.gov (United States)

Markham, Kelly A; Alper, Hal S

2015-01-01

In this review, we address recent advances in the field of synthetic biology and describe how those tools have been applied to produce a wide variety of chemicals in microorganisms. Here we classify the expansion of the synthetic biology toolbox into three different categories based on their primary function in strain engineering-for design, for construction, and for optimization. Next, focusing on recent years, we look at how chemicals have been produced using these new synthetic biology tools. Advances in producing fuels are briefly described, followed by a more thorough treatment of commodity chemicals, specialty chemicals, pharmaceuticals, and nutraceuticals. Throughout this review, an emphasis is placed on how synthetic biology tools are applied to strain engineering. Finally, we discuss organism and host strain diversity and provide a future outlook in the field.

Numerical prediction of flow and mixing characteristics in CVCS chemical addition system

International Nuclear Information System (INIS)

Chang, K.S.

1999-01-01

A numerical result of the flow and mixing characteristics is presented for the flow field created by water injected into a cylindrical tank with an initially stationary fluid. The flow is relevant to the operation of the chemical addition system in the chemical and volume control system (CVCS) of nuclear power plants. This study was undertaken to provide a basis for modification of the previous design which gave a number of difficulties in installation and operation of the chemical addition system because it needs a special reciprocating pump with a high actual head. For the tank of length-to-diameter ratios (L/D) of 1, 2 and 3, each with and without a baffle inside, calculation results were obtained by solving the unsteady laminar two-dimensional elliptic forms of governing equations for the mass, momentum and species concentration. Finite-difference method was used to obtain discretization equations, and the SIMPLER solution algorithm was employed for the calculation procedure. Results showed that the baffle was very effective in enhancing the mixing in the tank, and that a baffle should be installed near the tank entrance in order to inject chemicals into the reactor coolant system (RCS) within the operating time required. (orig.)

Performance of the In Situ Microcosm Technique for Measuring the Degradation of Organic Chemicals in Aquifers

DEFF Research Database (Denmark)

Nielsen, Per H.; Christensen, Thomas Højlund; Albrechtsen, Hans-Jørgen

1996-01-01

chemicals in polluted and pristine aquifers representing different redox environments. The ISM technique has great potential for providing field-relevant degradation potentials and rate constants, but care must be taken in using the equipment and interpreting the results. This paper provides details......An in situ microcosm (ISM) consists of a stainless steel cylinder isolating about 2 L of the aquifer and is equipped with valves allowing for loading and sampling from the ground surface. During the last five years, this technique has been used frequently to study the degradation of organic...

Chemical warfare agents. Classes and targets.

Science.gov (United States)

Schwenk, Michael

2018-09-01

Synthetic toxic chemicals (toxicants) and biological poisons (toxins) have been developed as chemical warfare agents in the last century. At the time of their initial consideration as chemical weapon, only restricted knowledge existed about their mechanisms of action. There exist two different types of acute toxic action: nonspecific cytotoxic mechanisms with multiple chemo-biological interactions versus specific mechanisms that tend to have just a single or a few target biomolecules. TRPV1- and TRPA-receptors are often involved as chemosensors that induce neurogenic inflammation. The present work briefly surveys classes and toxicologically relevant features of chemical warfare agents and describes mechanisms of toxic action. Copyright © 2017 Elsevier B.V. All rights reserved.

Survey of awareness about hazardous chemicals of residents living near chemical plants in South Korea.

Science.gov (United States)

Han, Don-Hee; Park, Min Soo

2018-02-10

With economic growth, the use of chemicals has continually increased, resulting in an increase of chemical accidents. Chemical accidents pose a life threat and can lead to many health problems among the residents living in close proximity to chemical plants. This study aimed to investigate the awareness of the residents living near chemical plants about hazardous chemicals, as well as to survey the awareness of workers who do not directly handle chemicals at chemical plants (WNHCs). To this end, a questionnaire survey was conducted among a total of 600 residents and 160 WNHCs. The questionnaire was composed of three items: awareness of chemical risk, awareness of countermeasures in chemical accidents, and imperious necessity of PPE (personal protective equipment). Statistical analysis of the data was performed with the Statistical Package for Social Sciences (SPSS) version 18.0. The results show that the government needs to complement the notification system of chemical risk for residents who live close to chemical plants. The highest priority of PPE which residents want to prepare for chemical accidents was respiratory protective equipment (RPE). They responded that, if necessary to purchase PPE, they could bear a portion of the expenses (up to US $30). This study provides basic data for the development of programs and policies on chemical safety relevant for the residents living in close proximity to chemical plants in South Korea.

Capturing ecology in modeling approaches applied to environmental risk assessment of endocrine active chemicals in fish.

Science.gov (United States)

Mintram, Kate S; Brown, A Ross; Maynard, Samuel K; Thorbek, Pernille; Tyler, Charles R

2018-02-01

Endocrine active chemicals (EACs) are widespread in freshwater environments and both laboratory and field based studies have shown reproductive effects in fish at environmentally relevant exposures. Environmental risk assessment (ERA) seeks to protect wildlife populations and prospective assessments rely on extrapolation from individual-level effects established for laboratory fish species to populations of wild fish using arbitrary safety factors. Population susceptibility to chemical effects, however, depends on exposure risk, physiological susceptibility, and population resilience, each of which can differ widely between fish species. Population models have significant potential to address these shortfalls and to include individual variability relating to life-history traits, demographic and density-dependent vital rates, and behaviors which arise from inter-organism and organism-environment interactions. Confidence in population models has recently resulted in the EU Commission stating that results derived from reliable models may be considered when assessing the relevance of adverse effects of EACs at the population level. This review critically assesses the potential risks posed by EACs for fish populations, considers the ecological factors influencing these risks and explores the benefits and challenges of applying population modeling (including individual-based modeling) in ERA for EACs in fish. We conclude that population modeling offers a way forward for incorporating greater environmental relevance in assessing the risks of EACs for fishes and for identifying key risk factors through sensitivity analysis. Individual-based models (IBMs) allow for the incorporation of physiological and behavioral endpoints relevant to EAC exposure effects, thus capturing both direct and indirect population-level effects.

Mixtures of environmentally relevant endocrine disrupting chemicals affect mammary gland development in female and male rats

DEFF Research Database (Denmark)

Mandrup, Karen Riiber; Johansson, Hanna Katarina Lilith; Boberg, Julie

2015-01-01

Estrogenic chemicals are able to alter mammary gland development in female rodents, but little is known on the effects of anti-androgens and mixtures of endocrine disrupting chemicals (EDCs) with dissimilar modes of action. Pregnant rat dams were exposed during gestation and lactation to mixtures...

Selected, annotated bibliography of studies relevant to the isolation of nuclear wastes. [705 references

Energy Technology Data Exchange (ETDEWEB)

Hyder, L.K.; Fore, C.S.; Vaughan, N.D.; Faust, R.A.

1980-09-01

This annotated bibliography of 705 references represents the first in a series to be published by the Ecological Sciences Information Center containing scientific, technical, economic, and regulatory information relevant to nuclear waste isolation. Most references discuss deep geologic disposal, with fewer studies of deep seabed disposal; space disposal is also included. The publication covers both domestic and foreign literature for the period 1954 to 1980. Major chapters selected are Chemical and Physical Aspects; Container Design and Performance; Disposal Site; Envirnmental Transport; General Studies and Reviews; Geology, Hydrology and Site Resources; Regulatory and Economic Aspects; Repository Design and Engineering; Transportation Technology; Waste Production; and Waste Treatment. Specialized data fields have been incorporated to improve the ease and accuracy of locating pertinent references. Specific radionuclides for which data are presented are listed in the Measured Radionuclides field, and specific parameters which affect the migration of these radionuclides are presented in the Measured Parameters field. The references within each chapter are arranged alphabetically by leading author, corporate affiliation, or title of the document. When the author is not given, the corporate affiliation appears first. If these two levels of authorship are not given, the title of the document is used as the identifying level. Indexes are provided for author(s), keywords, subject category, title, geographic location, measured parameters, measured radionuclides, and publication description.

Muonium spin exchange as a Poisson process: magnetic field dependence in transverse fields

International Nuclear Information System (INIS)

Senba, Masayoshi; British Columbia Univ., Vancouver, BC

1993-01-01

The muonium spin exchange has been investigated as a function of transverse magnetic field strength, where the Poisson nature of collisions is exploited to simplify the calculation. In intermediate fields where the so-called two-frequency muonium signal is observed, the muonium relaxation due to spin exchange is 1.5 times faster than in low fields. In even higher fields, the observed relaxation rate drops back to the low field value. Since the relaxation rate due to a chemical reaction is field independent, such a distinct field dependence in spin exchange can be used in distinguishing experimentally spin exchange from chemical reactions. The time evolution of the muon spin polarization in the presence of muonium spin exchange has been expressed in a simple analytical closed form. (author)

Conceptual Framework To Extend Life Cycle Assessment Using Near-Field Human Exposure Modeling and High-Throughput Tools for Chemicals.

Science.gov (United States)

Csiszar, Susan A; Meyer, David E; Dionisio, Kathie L; Egeghy, Peter; Isaacs, Kristin K; Price, Paul S; Scanlon, Kelly A; Tan, Yu-Mei; Thomas, Kent; Vallero, Daniel; Bare, Jane C

2016-11-01

Life Cycle Assessment (LCA) is a decision-making tool that accounts for multiple impacts across the life cycle of a product or service. This paper presents a conceptual framework to integrate human health impact assessment with risk screening approaches to extend LCA to include near-field chemical sources (e.g., those originating from consumer products and building materials) that have traditionally been excluded from LCA. A new generation of rapid human exposure modeling and high-throughput toxicity testing is transforming chemical risk prioritization and provides an opportunity for integration of screening-level risk assessment (RA) with LCA. The combined LCA and RA approach considers environmental impacts of products alongside risks to human health, which is consistent with regulatory frameworks addressing RA within a sustainability mindset. A case study is presented to juxtapose LCA and risk screening approaches for a chemical used in a consumer product. The case study demonstrates how these new risk screening tools can be used to inform toxicity impact estimates in LCA and highlights needs for future research. The framework provides a basis for developing tools and methods to support decision making on the use of chemicals in products.

Mean field interaction in biochemical reaction networks

KAUST Repository

Tembine, Hamidou; Tempone, Raul; Vilanova, Pedro

2011-01-01

In this paper we establish a relationship between chemical dynamics and mean field game dynamics. We show that chemical reaction networks can be studied using noisy mean field limits. We provide deterministic, noisy and switching mean field limits

Introduction to chemical kinetics

CERN Document Server

Soustelle, Michel

2013-01-01

This book is a progressive presentation of kinetics of the chemical reactions. It provides complete coverage of the domain of chemical kinetics, which is necessary for the various future users in the fields of Chemistry, Physical Chemistry, Materials Science, Chemical Engineering, Macromolecular Chemistry and Combustion. It will help them to understand the most sophisticated knowledge of their future job area. Over 15 chapters, this book present the fundamentals of chemical kinetics, its relations with reaction mechanisms and kinetic properties. Two chapters are then devoted to experimental re

Stochastic processes in chemical physics

CERN Document Server

Shuler, K E

2009-01-01

The Advances in Chemical Physics series provides the chemical physics and physical chemistry fields with a forum for critical, authoritative evaluations of advances in every area of the discipline. Filled with cutting-edge research reported in a cohesive manner not found elsewhere in the literature, each volume of the Advances in Chemical Physics series serves as the perfect supplement to any advanced graduate class devoted to the study of chemical physics.

Dielectrics in electric fields

CERN Document Server

Raju, Gorur G

2003-01-01

Discover nontraditional applications of dielectric studies in this exceptionally crafted field reference or text for seniors and graduate students in power engineering tracks. This text contains more than 800 display equations and discusses polarization phenomena in dielectrics, the complex dielectric constant in an alternating electric field, dielectric relaxation and interfacial polarization, the measurement of absorption and desorption currents in time domains, and high field conduction phenomena. Dielectrics in Electric Fields is an interdisciplinary reference and text for professionals and students in electrical and electronics, chemical, biochemical, and environmental engineering; physical, surface, and colloid chemistry; materials science; and chemical physics.

Highly ordered nanowire arrays on plastic substrates for ultrasensitive flexible chemical sensors.

Science.gov (United States)

McAlpine, Michael C; Ahmad, Habib; Wang, Dunwei; Heath, James R

2007-05-01

The development of a robust method for integrating high-performance semiconductors on flexible plastics could enable exciting avenues in fundamental research and novel applications. One area of vital relevance is chemical and biological sensing, which if implemented on biocompatible substrates, could yield breakthroughs in implantable or wearable monitoring systems. Semiconducting nanowires (and nanotubes) are particularly sensitive chemical sensors because of their high surface-to-volume ratios. Here, we present a scalable and parallel process for transferring hundreds of pre-aligned silicon nanowires onto plastic to yield highly ordered films for low-power sensor chips. The nanowires are excellent field-effect transistors, and, as sensors, exhibit parts-per-billion sensitivity to NO2, a hazardous pollutant. We also use SiO2 surface chemistries to construct a 'nano-electronic nose' library, which can distinguish acetone and hexane vapours via distributed responses. The excellent sensing performance coupled with bendable plastic could open up opportunities in portable, wearable or even implantable sensors.

Highly ordered nanowire arrays on plastic substrates for ultrasensitive flexible chemical sensors

Science.gov (United States)

McAlpine, Michael C.; Ahmad, Habib; Wang, Dunwei; Heath, James R.

2007-05-01

The development of a robust method for integrating high-performance semiconductors on flexible plastics could enable exciting avenues in fundamental research and novel applications. One area of vital relevance is chemical and biological sensing, which if implemented on biocompatible substrates, could yield breakthroughs in implantable or wearable monitoring systems. Semiconducting nanowires (and nanotubes) are particularly sensitive chemical sensors because of their high surface-to-volume ratios. Here, we present a scalable and parallel process for transferring hundreds of pre-aligned silicon nanowires onto plastic to yield highly ordered films for low-power sensor chips. The nanowires are excellent field-effect transistors, and, as sensors, exhibit parts-per-billion sensitivity to NO2, a hazardous pollutant. We also use SiO2 surface chemistries to construct a `nano-electronic nose' library, which can distinguish acetone and hexane vapours via distributed responses. The excellent sensing performance coupled with bendable plastic could open up opportunities in portable, wearable or even implantable sensors.

Surface properties and field emission characteristics of chemical vapor deposition diamond grown on Fe/Si substrates

International Nuclear Information System (INIS)

Hirakuri, Kenji; Yokoyama, Takahiro; Enomoto, Hirofumi; Mutsukura, Nobuki; Friedbacher, Gernot

2001-01-01

Electron field emission characteristics of diamond grains fabricated on iron dot-patterned silicon (Fe/Si) substrates at different methane concentrations have been investigated. The characteristics of the samples could be improved by control of the methane concentration during diamond fabrication. Etching treatment of the as-grown diamond has enhanced the emission properties both with respect to current and threshold voltage. In order to study the influence of etching effects on the field emission characteristics, the respective surfaces were studied by Raman spectroscopy, Auger electron spectroscopy, and electron spectroscopy for chemical analysis (ESCA). ESCA revealed intensive graphite and FeO x peaks on the sample surface grown at high methane concentration. For the etched samples, the peaks of diamond and silicon carbide were observed, and the peaks of nondiamond carbon disappeared. The experimental results show that the etching process removes graphitic and nondiamond carbon components. [copyright] 2001 American Institute of Physics

Terpenoids in Buddleja: relevance to chemosystematics, chemical ecology and biological activity.

Science.gov (United States)

Houghton, Peter J; Mensah, Abraham Y; Iessa, Noha; Hong, Liao Yong

2003-09-01

The terpenoids reported from Buddleja species are described. The antifungal activity of chloroform extracts of B. cordata and B. davidii stembark against the soil fungi Fusarium culmorum and Sordari fimicola is reported, with buddledin A shown to be the major compound responsible. The terpenoids present support the view that the Buddlejaceae should be classified in a taxon with Scrophulariaceae rather than Loganiaceae. Ecological aspects of the terpenoids are considered in relation to insects and soil fungi and the role of terpenoids in the chemical basis of the use of Buddleja in traditional medicine is also discussed, especially with regard to their anti-inflammatory properties.

Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Organic substances and pharmaceuticals engineering. Petrochemistry and chemical processing of alternative feedstock

International Nuclear Information System (INIS)

Zakhodyaeva, Yu.A.; Belova, V.V.

2012-01-01

In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning organic substances and pharmaceuticals engineering, petrochemistry and chemical processing of alternative feedstock. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

High Current Emission from Patterned Aligned Carbon Nanotubes Fabricated by Plasma-Enhanced Chemical Vapor Deposition

Science.gov (United States)

Cui, Linfan; Chen, Jiangtao; Yang, Bingjun; Jiao, Tifeng

2015-12-01

Vertically, carbon nanotube (CNT) arrays were successfully fabricated on hexagon patterned Si substrates through radio frequency plasma-enhanced chemical vapor deposition using gas mixtures of acetylene (C2H2) and hydrogen (H2) with Fe/Al2O3 catalysts. The CNTs were found to be graphitized with multi-walled structures. Different H2/C2H2 gas flow rate ratio was used to investigate the effect on CNT growth, and the field emission properties were optimized. The CNT emitters exhibited excellent field emission performance (the turn-on and threshold fields were 2.1 and 2.4 V/μm, respectively). The largest emission current could reach 70 mA/cm2. The emission current was stable, and no obvious deterioration was observed during the long-term stability test of 50 h. The results were relevant for practical applications based on CNTs.

Cooperative biological effects between ionizing radiation and other physical and chemical agents.

Science.gov (United States)

Manti, Lorenzo; D'Arco, Annalisa

2010-01-01

Exposure to ionizing radiation (IR), at environmentally and therapeutically relevant doses or as a result of diagnostics or accidents, causes cyto- and genotoxic damage. However, exposure to IR alone is a rare event as it occurs in spatial and temporal combination with several physico-chemical agents. Some of these are of known noxiousness, as is the case with chemical compounds at high dose, hence additive/synergistic effects can be expected or have been demonstrated. Conversely, the cellular toxicity of other agents, such as non-ionizing electromagnetic fields (EMFs), is only presumed and their short- and long-term cooperation on IR-induced damage remains undetermined. In this review, we shall examine evidence in support of the interplay between spatially and/or temporally related environmentally relevant stressors. In vitro or animal-based studies as well as epidemiological surveys have generally examined the combined action of no more than a couple of known or potentially DNA-damaging agents. Moreover, most existing research mainly focused on short-term effects of combined exposures. Hence, it is important that quantitative research addresses the issue of the possible cooperation between chronic exposure to environmental trace contaminants and exposure to EMFs, examining not only the modulation of damage acutely induced by IR but also long-term genome stability. 2010 Elsevier B.V. All rights reserved.

Photomixotrophic chemical production in cyanobacteria.

Science.gov (United States)

Matson, Morgan M; Atsumi, Shota

2018-04-01

The current global dependence on fossil fuels for both energy and chemical production has spurred concerns regarding long-term resource security and environmental detriments resulting from increased CO 2 levels. Through the installation of exogenous metabolic pathways, engineered cyanobacteria strains can directly fix CO 2 into industrially relevant chemicals currently produced from petroleum. This review highlights some of the studies that have successfully implemented photomixotrophic conditions to increase cyanobacterial chemical production. Supplementation with fixed carbon sources provides additional carbon building blocks and energy to enhance production and occasionally aid in growth. Photomixotrophic production has increased titers up to 5-fold over traditional autotrophic conditions, demonstrating promising applications for future commercialization. Copyright © 2017 Elsevier Ltd. All rights reserved.

Big (Bio)Chemical Data Mining Using Chemometric Methods: A Need for Chemists.

Science.gov (United States)

Tauler, Roma; Parastar, Hadi

2018-03-23

This review aims to demonstrate abilities to analyze Big (Bio)Chemical Data (BBCD) with multivariate chemometric methods and to show some of the more important challenges of modern analytical researches. In this review, the capabilities and versatility of chemometric methods will be discussed in light of the BBCD challenges that are being encountered in chromatographic, spectroscopic and hyperspectral imaging measurements, with an emphasis on their application to omics sciences. In addition, insights and perspectives on how to address the analysis of BBCD are provided along with a discussion of the procedures necessary to obtain more reliable qualitative and quantitative results. In this review, the importance of Big Data and of their relevance to (bio)chemistry are first discussed. Then, analytical tools which can produce BBCD are presented as well as some basics needed to understand prospects and limitations of chemometric techniques when they are applied to BBCD are given. Finally, the significance of the combination of chemometric approaches with BBCD analysis in different chemical disciplines is highlighted with some examples. In this paper, we have tried to cover some of the applications of big data analysis in the (bio)chemistry field. However, this coverage is not extensive covering everything done in the field. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Physico-chemical properties of manufactured nanomaterials - Characterisation and relevant methods. An outlook based on the OECD Testing Programme.

NARCIS (Netherlands)

Rasmussen, Kirsten; Rauscher, Hubert; Mech, Agnieszka; Riego Sintes, Juan; Gilliland, Douglas; González, Mar; Kearns, Peter; Moss, Kenneth; Visser, Maaike; Groenewold, Monique; Bleeker, Eric A J

Identifying and characterising nanomaterials require additional information on physico-chemical properties and test methods, compared to chemicals in general. Furthermore, regulatory decisions for chemicals are usually based upon certain toxicological properties, and these effects may not be

Chemical sensors

International Nuclear Information System (INIS)

Hubbard, C.W.; Gordon, R.L.

1987-05-01

The revolution in analytical chemistry promised by recent developments in the field of chemical sensors has potential for significant positive impact on both research and production activities conducted by and for the Department of Energy. Analyses which were, in the past, performed only with a roomful of expensive equipment can now be performed with miniature solid-state electronic devices or small optical probes. Progress in the development of chemical sensors has been rapid, and the field is currently growing at a great rate. In accordance, Pacific Northwest Laboratory initiated a survey of recent literature so that contributors to active programs in research on analytical methods could be made aware of principles and applications of this new technology. This report presents the results of that survey. The sensors discussed here are divided into three types: micro solid-state devices, optical sensors, and piezoelectric crystal devices. The report is divided into three corresponding sections. The first section, ''Micro Solid-State Devices,'' discusses the design, operation, and application of electronic sensors that are produced in much the same way as standard solid-state electronic devices. The second section, ''Optrodes,'' covers the design and operation of chemical sensors that use fiber optics to detect chemically induced changes in optical properties. The final section, ''Piezoelectric Crystal Detectors,'' discusses two types of chemical sensors that depend on the changes in the properties of an oscillating piezoelectric crystal to detect the presence of certain materials. Advantages and disadvantages of each type of sensor are summarized in each section

Growth-substrate induced performance degradation in chemically synthesized monolayer MoS{sub 2} field effect transistors

Energy Technology Data Exchange (ETDEWEB)

Amani, Matin; Chin, Matthew L.; Mazzoni, Alexander L.; Burke, Robert A.; Dubey, Madan, E-mail: madan.dubey.civ@mail.mil [Sensors and Electron Devices Directorate, US Army Research Laboratory, Adelphi, Maryland 20723 (United States); Najmaei, Sina; Ajayan, Pulickel M.; Lou, Jun [Department of Materials Science and Nanoengineering, Rice University, Houston, Texas 77005 (United States)

2014-05-19

We report on the electronic transport properties of single-layer thick chemical vapor deposition (CVD) grown molybdenum disulfide (MoS{sub 2}) field-effect transistors (FETs) on Si/SiO{sub 2} substrates. MoS{sub 2} has been extensively investigated for the past two years as a potential semiconductor analogue to graphene. To date, MoS{sub 2} samples prepared via mechanical exfoliation have demonstrated field-effect mobility values which are significantly higher than that of CVD-grown MoS{sub 2}. In this study, we will show that the intrinsic electronic performance of CVD-grown MoS{sub 2} is equal or superior to that of exfoliated material and has been possibly masked by a combination of interfacial contamination on the growth substrate and residual tensile strain resulting from the high-temperature growth process. We are able to quantify this strain in the as-grown material using pre- and post-transfer metrology and microscopy of the same crystals. Moreover, temperature-dependent electrical measurements made on as-grown and transferred MoS{sub 2} devices following an identical fabrication process demonstrate the improvement in field-effect mobility.

General areas needing chemical competence to support reactor operation

International Nuclear Information System (INIS)

Proksch, E.; Bildstein, H.

1963-01-01

Chemical competence is needed not only for the development of new types of reactors but also for the start-up and safe operation of reactors. The activities of chemistry and chemical engineering cover a number of fields, namely chemical analysis, radiochemical analysis, corrosion research, radiolysis of water and water purification. The author reviews fields in reactor operation and maintenance in which chemical competence is needed. (author). 9 refs

More than a Museum: Natural History is Relevant in 21st Century Environmental Science

Science.gov (United States)

Hernandez, R. R.; Murphy-Mariscal, M. L.; Barrows, C. W.

2015-12-01

In the Anthropocene, the relevancy of natural history in environmental science is challenged and marginalized today more than ever. We tested the hypothesis that natural history is relevant to the fields of environmental science and ecology by assessing the values, needs, and decisions related to natural history of graduate students and environmental science professionals across 31 universities and various employers, respectively, in California. Graduate students surveyed (93.3%) agreed that natural history was relevant to science, approximately 70% believed it "essential" for conducting field-based research; however, 54.2% felt inadequately trained to teach a natural history course and would benefit from additional training in natural history (> 80%). Of the 185 professionals surveyed, all felt that natural history was relevant to science and "essential" or "desirable" in their vocation (93%). Our results indicate a disconnect between the value and relevancy of natural history in 21st century ecological science and opportunities for gaining those skills and knowledge through education and training.

STANDARD CALCULATION PER PRODUCT IN THE CHEMICAL FERTILIZER INDUSTRY

Directory of Open Access Journals (Sweden)

Ion Ionescu

2016-12-01

Full Text Available The main goal of the research is to present a way of organising the managerial accounting of totally and semi finished product obtained in chemical fertilizer industry entities. For this study, we analyzed the current principle of managerial accounting to an entity in the studied area, in order to emphasize the need of organizing and implementing a modern accounting management to control the cost and increase the performance of the entities in this area, starting from the premise that there are sufficient similarities between entities in the field. Research carried out has revealed that currently, the costing is organized in terms of using traditional methods and that it is necessary to organize and implement an accounting management based on the use of modern methods, namely the method of standard costs combined with the method of centres of costs. The major implications of the proposed system for the investigated field consist of determining a relevant cost-oriented management entity, highlighting the shortcomings of traditional methods of cost

Nuclear industry - challenges in chemical engineering

International Nuclear Information System (INIS)

Sen, S.; Sunder Rajan, N.S.; Balu, K.; Garg, R.K.; Murthy, L.G.K.; Ramani, M.P.S.; Rao, M.K.; Sadhukhan, H.K.; Venkat Raj, V.

1978-01-01

As chemical engineering processes and operations are closely involved in many areas of nuclear industry, the chemical engineer has a vital role to play in its growth and development. An account of the major achievements of the Indian chemical engineers in this field is given with view of impressing upon the faculty members of the Indian universities the need for taking appropriate steps to prepare chemical engineers suitable for nuclear industry. Some of the major achievements of the Indian chemical engineers in this field are : (1) separation of useful minerals from beach sand, (2) preparation of thorium nitrate of nuclear purity from monazite, (3) processing of zircon sand to obtain nuclear grade zirconium and its separation from hafnium to obtain zirconium metal sponge, (4) recovery of uranium from copper tailings, (5) economic recovery of nuclear grade uranium from low grade uranium ores found in India, (6) fuel reprocessing, (7) chemical processing of both low and high level radioactive wastes. (M.G.B.)

Early perception of stink bug damage in developing seeds of field-grown soybean induces chemical defences and reduces bug attack.

Science.gov (United States)

Giacometti, Romina; Barneto, Jesica; Barriga, Lucia G; Sardoy, Pedro M; Balestrasse, Karina; Andrade, Andrea M; Pagano, Eduardo A; Alemano, Sergio G; Zavala, Jorge A

2016-08-01

Southern green stink bugs (Nezara viridula L.) invade field-grown soybean crops, where they feed on developing seeds and inject phytotoxic saliva, which causes yield reduction. Although leaf responses to herbivory are well studied, no information is available about the regulation of defences in seeds. This study demonstrated that mitogen-activated protein kinases MPK3, MPK4 and MPK6 are expressed and activated in developing seeds of field-grown soybean and regulate a defensive response after stink bug damage. Although 10-20 min after stink bug feeding on seeds induced the expression of MPK3, MPK6 and MPK4, only MPK6 was phosphorylated after damage. Herbivory induced an early peak of jasmonic acid (JA) accumulation and ethylene (ET) emission after 3 h in developing seeds, whereas salicylic acid (SA) was also induced early, and at increasing levels up to 72 h after damage. Damaged seeds upregulated defensive genes typically modulated by JA/ET or SA, which in turn reduced the activity of digestive enzymes in the gut of stink bugs. Induced seeds were less preferred by stink bugs. This study shows that stink bug damage induces seed defences, which is perceived early by MPKs that may activate defence metabolic pathways in developing seeds of field-grown soybean. © 2015 Society of Chemical Industry. © 2015 Society of Chemical Industry.

Practical chemical thermodynamics for geoscientists

CERN Document Server

Fegley, Bruce, Jr

2012-01-01

Practical Chemical Thermodynamics for Geoscientists covers classical chemical thermodynamics and focuses on applications to practical problems in the geosciences, environmental sciences, and planetary sciences. This book will provide a strong theoretical foundation for students, while also proving beneficial for earth and planetary scientists seeking a review of thermodynamic principles and their application to a specific problem. Strong theoretical foundation and emphasis on applications Numerous worked examples in each chapter Brief historical summaries and biographies of key thermodynamicists-including their fundamental research and discoveries Extensive references to relevant literature.

Sub-millitesla magnetic field effects on the recombination reaction of flavin and ascorbic acid radicals

Energy Technology Data Exchange (ETDEWEB)

Evans, Emrys W.; Henbest, Kevin B.; Timmel, Christiane R., E-mail: christiane.timmel@chem.ox.ac.uk, E-mail: stuart.mackenzie@chem.ox.ac.uk [Department of Chemistry, Centre for Advanced Electron Spin Resonance, University of Oxford, Oxford (United Kingdom); Kattnig, Daniel R.; Hore, P. J.; Mackenzie, Stuart R., E-mail: christiane.timmel@chem.ox.ac.uk, E-mail: stuart.mackenzie@chem.ox.ac.uk [Physical and Theoretical Chemistry Laboratory, Department of Chemistry, University of Oxford, Oxford (United Kingdom)

2016-08-28

Even though the interaction of a <1 mT magnetic field with an electron spin is less than a millionth of the thermal energy at room temperature (k{sub B}T), it still can have a profound effect on the quantum yields of radical pair reactions. We present a study of the effects of sub-millitesla magnetic fields on the photoreaction of flavin mononucleotide with ascorbic acid. Direct control of the reaction pathway is achieved by varying the rate of electron transfer from ascorbic acid to the photo-excited flavin. At pH 7.0, we verify the theoretical prediction that, apart from a sign change, the form of the magnetic field effect is independent of the initial spin configuration of the radical pair. The data agree well with model calculations based on a Green’s function approach that allows multinuclear spin systems to be treated including the diffusive motion of the radicals, their spin-selective recombination reactions, and the effects of the inter-radical exchange interaction. The protonation states of the radicals are uniquely determined from the form of the magnetic field-dependence. At pH 3.0, the effects of two chemically distinct radical pair complexes combine to produce a pronounced response to ∼500 μT magnetic fields. These findings are relevant to the magnetic responses of cryptochromes (flavin-containing proteins proposed as magnetoreceptors in birds) and may aid the evaluation of effects of weak magnetic fields on other biologically relevant electron transfer processes.

Approaches to chemical synthetic biology.

Science.gov (United States)

Chiarabelli, Cristiano; Stano, Pasquale; Anella, Fabrizio; Carrara, Paolo; Luisi, Pier Luigi

2012-07-16

Synthetic biology is first represented in terms of two complementary aspects, the bio-engineering one, based on the genetic manipulation of extant microbial forms in order to obtain forms of life which do not exist in nature; and the chemical synthetic biology, an approach mostly based on chemical manipulation for the laboratory synthesis of biological structures that do not exist in nature. The paper is mostly devoted to shortly review chemical synthetic biology projects currently carried out in our laboratory. In particular, we describe: the minimal cell project, then the "Never Born Proteins" and lastly the Never Born RNAs. We describe and critically analyze the main results, emphasizing the possible relevance of chemical synthetic biology for the progress in basic science and biotechnology. Copyright © 2012 Federation of European Biochemical Societies. Published by Elsevier B.V. All rights reserved.

Human and animal health risk assessments of chemicals in the food chain: comparative aspects and future perspectives.

Science.gov (United States)

Dorne, J L C M; Fink-Gremmels, J

2013-08-01

Chemicals from anthropogenic and natural origins enter animal feed, human food and water either as undesirable contaminants or as part of the components of a diet. Over the last five decades, considerable efforts and progress to develop methodologies to protect humans and animals against potential risks associated with exposure to such potentially toxic chemicals have been made. This special issue presents relevant methodological developments and examples of risk assessments of undesirable substances in the food chain integrating the animal health and the human health perspective and refers to recent Opinions of the Scientific Panel on Contaminants in the Food Chain (CONTAM) of the European Food Safety Authority (EFSA). This introductory review aims to give a comparative account of the risk assessment steps used in human health and animal health risk assessments for chemicals in the food chain and provides a critical view of the data gaps and future perspectives for this cross-disciplinary field. Copyright © 2012 Elsevier Inc. All rights reserved.

Silk-polypyrrole biocompatible actuator performance under biologically relevant conditions

Science.gov (United States)

Hagler, Jo'elen; Peterson, Ben; Murphy, Amanda; Leger, Janelle

Biocompatible actuators that are capable of controlled movement and can function under biologically relevant conditions are of significant interest in biomedical fields. Previously, we have demonstrated that a composite material of silk biopolymer and the conducting polymer polypyrrole (PPy) can be formed into a bilayer device that can bend under applied voltage. Further, these silk-PPy composites can generate forces comparable to human muscle (>0.1 MPa) making them ideal candidates for interfacing with biological tissues. Here silk-PPy composite films are tested for performance under biologically relevant conditions including exposure to a complex protein serum and biologically relevant temperatures. Free-end bending actuation performance, current response, force generation and, mass degradation were investigated . Preliminary results show that when exposed to proteins and biologically relevant temperatures, these silk-PPy composites show minimal degradation and are able to generate forces and conduct currents comparable to devices tested under standard conditions. NSF.

Use of batch and column methodologies to assess utility waste leaching and subsurface chemical attenuation

International Nuclear Information System (INIS)

Zachara, J.M.; Streile, G.P.

1991-05-01

Waste leaching and chemical attenuation involve geochemical reactions between immobile solid surfaces in the waste or in other porous media and dissolved solutes in the mobile fluid phase. Because the geochemical reactions occur along with water flow, the question often arises whether waste leaching and chemical attenuation are best studied under static or dynamic conditions. To answer this question, the scientific literature was reviewed to identify how static (batch) and dynamic (column) approaches have been applied to obtain data on waste leaching and chemical attenuation and the types of information each technique has provided. This review made it possible to both (1) assess the specific merits of the batch and column experimental techniques and (2) develop an integrated research strategy for employing these techniques to quantify leaching and chemical attenuation processes under conditions relevant to the field. This review led to the conclusion that batch systems are best suited to systematically establishing the specific geochemical reactions involved in leaching and attenuation, obtaining thermodynamic and kinetic constants, and identifying the manifestation of these reactions in wastes or natural subsurface materials. 184 refs., 5 figs., 4 tabs

Efficient modeling of reactive transport phenomena by a multispecies random walk coupled to chemical equilibrium

International Nuclear Information System (INIS)

Pfingsten, W.

1996-01-01

Safety assessments for radioactive waste repositories require a detailed knowledge of physical, chemical, hydrological, and geological processes for long time spans. In the past, individual models for hydraulics, transport, or geochemical processes were developed more or less separately to great sophistication for the individual processes. Such processes are especially important in the near field of a waste repository. Attempts have been made to couple at least two individual processes to get a more adequate description of geochemical systems. These models are called coupled codes; they couple predominantly a multicomponent transport model with a chemical reaction model. Here reactive transport is modeled by the sequentially coupled code MCOTAC that couples one-dimensional advective, dispersive, and diffusive transport with chemical equilibrium complexation and precipitation/dissolution reactions in a porous medium. Transport, described by a random walk of multispecies particles, and chemical equilibrium calculations are solved separately, coupled only by an exchange term. The modular-structured code was applied to incongruent dissolution of hydrated silicate gels, to movement of multiple solid front systems, and to an artificial, numerically difficult heterogeneous redox problem. These applications show promising features with respect to applicability to relevant problems and possibilities of extensions

Mean field interaction in biochemical reaction networks

KAUST Repository

Tembine, Hamidou

2011-09-01

In this paper we establish a relationship between chemical dynamics and mean field game dynamics. We show that chemical reaction networks can be studied using noisy mean field limits. We provide deterministic, noisy and switching mean field limits and illustrate them with numerical examples. © 2011 IEEE.

Organic chemicals jeopardize the health of freshwater ecosystems on the continental scale.

Science.gov (United States)

Malaj, Egina; von der Ohe, Peter C; Grote, Matthias; Kühne, Ralph; Mondy, Cédric P; Usseglio-Polatera, Philippe; Brack, Werner; Schäfer, Ralf B

2014-07-01

Organic chemicals can contribute to local and regional losses of freshwater biodiversity and ecosystem services. However, their overall relevance regarding larger spatial scales remains unknown. Here, we present, to our knowledge, the first risk assessment of organic chemicals on the continental scale comprising 4,000 European monitoring sites. Organic chemicals were likely to exert acute lethal and chronic long-term effects on sensitive fish, invertebrate, or algae species in 14% and 42% of the sites, respectively. Of the 223 chemicals monitored, pesticides, tributyltin, polycyclic aromatic hydrocarbons, and brominated flame retardants were the major contributors to the chemical risk. Their presence was related to agricultural and urban areas in the upstream catchment. The risk of potential acute lethal and chronic long-term effects increased with the number of ecotoxicologically relevant chemicals analyzed at each site. As most monitoring programs considered in this study only included a subset of these chemicals, our assessment likely underestimates the actual risk. Increasing chemical risk was associated with deterioration in the quality status of fish and invertebrate communities. Our results clearly indicate that chemical pollution is a large-scale environmental problem and requires far-reaching, holistic mitigation measures to preserve and restore ecosystem health.

CHEMICAL ABUNDANCES IN FIELD RED GIANTS FROM HIGH-RESOLUTION H-BAND SPECTRA USING THE APOGEE SPECTRAL LINELIST

International Nuclear Information System (INIS)

Smith, Verne V.; Cunha, Katia; Shetrone, Matthew D.; Meszaros, Szabolcs; Allende Prieto, Carlos; Bizyaev, Dmitry; Garcìa Pèrez, Ana; Majewski, Steven R.; Schiavon, Ricardo; Holtzman, Jon; Johnson, Jennifer A.

2013-01-01

High-resolution H-band spectra of five bright field K, M, and MS giants, obtained from the archives of the Kitt Peak National Observatory Fourier transform spectrometer, are analyzed to determine chemical abundances of 16 elements. The abundances were derived via spectrum synthesis using the detailed linelist prepared for the Sloan Digital Sky Survey III Apache Point Galactic Evolution Experiment (APOGEE), which is a high-resolution near-infrared spectroscopic survey to derive detailed chemical abundance distributions and precise radial velocities for 100,000 red giants sampling all Galactic stellar populations. The red giant sample studied here was chosen to probe which chemical elements can be derived reliably from the H-band APOGEE spectral region. These red giants consist of two K-giants (α Boo and μ Leo), two M-giants (β And and δ Oph), and one thermally pulsing asymptotic giant branch (TP-AGB) star of spectral type MS (HD 199799). Measured chemical abundances include the cosmochemically important isotopes 12 C, 13 C, 14 N, and 16 O, along with Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu. The K and M giants exhibit the abundance signature of the first dredge-up of CN-cycle material, while the TP-AGB star shows clear evidence of the addition of 12 C synthesized during 4 He-burning thermal pulses and subsequent third dredge-up. A comparison of the abundances derived here with published values for these stars reveals consistent results to ∼0.1 dex. The APOGEE spectral region and linelist is thus well suited for probing both Galactic chemical evolution, as well as internal nucleosynthesis and mixing in populations of red giants via high-resolution spectroscopy.

CHEMICAL ABUNDANCES IN FIELD RED GIANTS FROM HIGH-RESOLUTION H-BAND SPECTRA USING THE APOGEE SPECTRAL LINELIST

Energy Technology Data Exchange (ETDEWEB)

Smith, Verne V.; Cunha, Katia [National Optical Astronomy Observatories, Tucson, AZ 85719 (United States); Shetrone, Matthew D. [Department of Astronomy and McDonald Observatory, University of Texas, Austin, TX 78712 (United States); Meszaros, Szabolcs; Allende Prieto, Carlos [Instituto d' Astrofisica de Canarias, E-38205, La Laguna, Tenerife (Spain); Bizyaev, Dmitry [Apache Point Observatory, Sunspot, NM 88349 (United States); Garcia Perez, Ana; Majewski, Steven R. [Department of Astronomy, University of Virginia, Charlottesville, VA 22904 (United States); Schiavon, Ricardo [Astrophysics Research Institute, Liverpool John Moores University, Liverpool L3 5UX (United Kingdom); Holtzman, Jon [Department of Astronomy, New Mexico State University, Las Cruces, NM 88003 (United States); Johnson, Jennifer A., E-mail: vsmith@noao.edu [Department of Astronomy, Ohio State University, Columbus, OH 43210 (United States)

2013-03-01

High-resolution H-band spectra of five bright field K, M, and MS giants, obtained from the archives of the Kitt Peak National Observatory Fourier transform spectrometer, are analyzed to determine chemical abundances of 16 elements. The abundances were derived via spectrum synthesis using the detailed linelist prepared for the Sloan Digital Sky Survey III Apache Point Galactic Evolution Experiment (APOGEE), which is a high-resolution near-infrared spectroscopic survey to derive detailed chemical abundance distributions and precise radial velocities for 100,000 red giants sampling all Galactic stellar populations. The red giant sample studied here was chosen to probe which chemical elements can be derived reliably from the H-band APOGEE spectral region. These red giants consist of two K-giants ({alpha} Boo and {mu} Leo), two M-giants ({beta} And and {delta} Oph), and one thermally pulsing asymptotic giant branch (TP-AGB) star of spectral type MS (HD 199799). Measured chemical abundances include the cosmochemically important isotopes {sup 12}C, {sup 13}C, {sup 14}N, and {sup 16}O, along with Mg, Al, Si, K, Ca, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu. The K and M giants exhibit the abundance signature of the first dredge-up of CN-cycle material, while the TP-AGB star shows clear evidence of the addition of {sup 12}C synthesized during {sup 4}He-burning thermal pulses and subsequent third dredge-up. A comparison of the abundances derived here with published values for these stars reveals consistent results to {approx}0.1 dex. The APOGEE spectral region and linelist is thus well suited for probing both Galactic chemical evolution, as well as internal nucleosynthesis and mixing in populations of red giants via high-resolution spectroscopy.

An overview of children as a special population-Relevance to predictive biomarkers

International Nuclear Information System (INIS)

Kimmel, Gary L.

2005-01-01

There has been an increasing focus on children as a special population in the fields of toxicology and epidemiology. At the same time, there has been considerable improvement in the technology for defining normal development and pathways of pathogenesis. Increased support of these areas has culminated in stronger research programs and greater professional involvement in addressing the specific challenges of applying new techniques and data to the improvement of children's health. Part of these challenges relates to the ever changing environment of the child. Not only does a child's anatomy, physiology, and metabolism change with time, but their lifestyle and awareness change as well. All of these can have a significant impact on a child's exposure and the potential of that exposure to have an effect on health and development. This paper will provide a brief overview of the susceptibility of the child relative to sensitive developmental life stages, the changing nature of exposure parameters during development, and how these factors can impact the relevance of predictive biomarkers of chemical toxicity in children

Applications of Neutron Scattering in the Chemical Industry: Proton Dynamics of Highly Dispersed Materials, Characterization of Fuel Cell Catalysts, and Catalysts from Large-Scale Chemical Processes

Science.gov (United States)

Albers, Peter W.; Parker, Stewart F.

The attractiveness of neutron scattering techniques for the detailed characterization of materials of high degrees of dispersity and structural complexity as encountered in the chemical industry is discussed. Neutron scattering picks up where other analytical methods leave off because of the physico-chemical properties of finely divided products and materials whose absorption behavior toward electromagnetic radiation and electrical conductivity causes serious problems. This is demonstrated by presenting typical applications from large-scale production technology and industrial catalysis. These include the determination of the proton-related surface chemistry of advanced materials that are used as reinforcing fillers in the manufacture of tires, where interrelations between surface chemistry, rheological properties, improved safety, and significant reduction of fuel consumption are the focus of recent developments. Neutron scattering allows surface science studies of the dissociative adsorption of hydrogen on nanodispersed, supported precious metal particles of fuel cell catalysts under in situ loading at realistic gas pressures of about 1 bar. Insight into the occupation of catalytically relevant surface sites provides valuable information about the catalyst in the working state and supplies essential scientific input for tailoring better catalysts by technologists. The impact of deactivation phenomena on industrial catalysts by coke deposition, chemical transformation of carbonaceous deposits, and other processes in catalytic hydrogenation processes that result in significant shortening of the time of useful operation in large-scale plants can often be traced back in detail to surface or bulk properties of catalysts or materials of catalytic relevance. A better understanding of avoidable or unavoidable aspects of catalyst deactivation phenomena under certain in-process conditions and the development of effective means for reducing deactivation leads to more energy

Chemical Weed Control in Saffron (Crocus sativus Fields

Directory of Open Access Journals (Sweden)

majid abbaspoor

2018-01-01

Full Text Available Introduction Saffron is derived from the stigmas of the saffron (Crocus sativus L. It is the world’s most expensive spice and has been widely used in many countries. It is also increasingly used for medicinal purposes. Weed control in this perennial, small and low growing crop, needs a lot of labor work. Chemical approach is one of the most effective methods for weed control in saffron. Currently, some herbicide options are available for applications in saffron. For example, satisfactory broadleaved weed control would be achieved by post-emergence application of metribuzin and ioxynil after harvesting saffron flowers. Application of glyphosate and/or 2, 4-D / 2, 4-DB are used to clean up the beds prior to the new season’s flowering and growth of saffron in New Zealand. The selective weed control of weeds in saffron has not been widely reported elsewhere but some in Iran. The choice of herbicide(s depends on the kind of weeds present. In some literatures metribuzin showed promising results for weed control in saffron fields. It is selectively used for control of annual grasses and numerous broad-leaved weeds. The objective of this study was the evaluation of the efficacy of 15 herbicides with different mode of actions, selected on the basis of dominant weed flora and previous studies, on weeds grown in saffron fields. Materials and Methods A field study was conducted to evaluate the efficacy of herbicides for weed control in saffron (Crocus sativus in Agricultural and Natural Resources Research and Education Center of Khorasan Razavi Province, Mashhad, in 2014-2015 growing season. The experiment was conducted in a completely randomized block design with three replications. Treatments were consisted of metsulfuron-methyl + sulfosulfuron (Total® at dose of 40 g ha-1, sulfosulfuron (Apirus® at dose of 26.6 g ha-1, oxadiazon (Ronestar® at dose of 2 l ha-1, oxyflurofen (Goal® at dose of 2 l ha-1, mesosulfuron + idosulfuron + diflufenican

Empirical Force Fields for Mechanistic Studies of Chemical Reactions in Proteins.

Science.gov (United States)

Das, A K; Meuwly, M

2016-01-01

Following chemical reactions in atomistic detail is one of the most challenging aspects of current computational approaches to chemistry. In this chapter the application of adiabatic reactive MD (ARMD) and its multistate version (MS-ARMD) are discussed. Both methods allow to study bond-breaking and bond-forming processes in chemical and biological processes. Particular emphasis is put on practical aspects for applying the methods to investigate the dynamics of chemical reactions. The chapter closes with an outlook of possible generalizations of the methods discussed. © 2016 Elsevier Inc. All rights reserved.

Equilibrium Constant as Solution to the Open Chemical Systems

OpenAIRE

Zilbergleyt, B.

2008-01-01

According to contemporary views, equilibrium constant is relevant only to true thermodynamic equilibria in isolated systems with one chemical reaction. The paper presents a novel formula that ties-up equilibrium constant and chemical system composition at any state, isolated or open as well. Extending the logarithmic logistic map of the Discrete Thermodynamics of Chemical Equilibria, this formula maps the system population at isolated equilibrium into the population at any open equilibrium at...

The Relevance of Sport and Exercise Psychology in Undergraduate Course Curriculum

Science.gov (United States)

Stanley, Christopher T.; Robbins, Jamie E.

2015-01-01

Given the growth of Sport and Exercise Psychology (SEP) in recent decades, and the interdisciplinary nature of research and practice in the field, it may be particularly relevant in undergraduate courses and textbooks. However, no studies to date have examined the relative presence of the field. Accordingly, a primary aim of the study described in…

Dietary antioxidant synergy in chemical and biological systems.

Science.gov (United States)

Wang, Sunan; Zhu, Fan

2017-07-24

Antioxidant (AOX) synergies have been much reported in chemical ("test-tube" based assays focusing on pure chemicals), biological (tissue culture, animal and clinical models), and food systems during the past decade. Tentative synergies differ from each other due to the composition of AOX and the quantification methods. Regeneration mechanism responsible for synergy in chemical systems has been discussed. Solvent effects could contribute to the artifacts of synergy observed in the chemical models. Synergy in chemical models may hardly be relevant to biological systems that have been much less studied. Apparent discrepancies exist in understanding the molecular mechanisms in both chemical and biological systems. This review discusses diverse variables associated with AOX synergy and molecular scenarios for explanation. Future research to better utilize the synergy is suggested.

Physical transformations of iron oxide and silver nanoparticles from an intermediate scale field transport study

Science.gov (United States)

Emerson, Hilary P.; Hart, Ashley E.; Baldwin, Jonathon A.; Waterhouse, Tyler C.; Kitchens, Christopher L.; Mefford, O. Thompson; Powell, Brian A.

2014-02-01

In recent years, there has been increasing concern regarding the fate and transport of engineered nanoparticles (NPs) in environmental systems and the potential impacts on human and environmental health due to the exponential increase in commercial and industrial use worldwide. To date, there have been relatively few field-scale studies or laboratory-based studies on environmentally relevant soils examining the chemical/physical behavior of the NPs following release into natural systems. The objective of this research is to demonstrate the behavior and transformations of iron oxide and silver NPs with different capping ligands within the unsaturated zone. Here, we show that NP transport within the vadose zone is minimal primarily due to heteroaggregation with soil surface coatings with results that >99 % of the NPs remained within 5 cm of the original source after 1 year in intermediate-scale field lysimeters. These results suggest that transport may be overestimated when compared to previous laboratory-scale studies on pristine soils and pure minerals and that future work must incorporate more environmentally relevant parameters.

Theoretical studies of chemical reaction dynamics

Energy Technology Data Exchange (ETDEWEB)

Schatz, G.C. [Argonne National Laboratory, IL (United States)

1993-12-01

This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.

Hydrogen interaction with fusion-relevant materials

International Nuclear Information System (INIS)

Caorlin, M.

1990-01-01

This paper is an outline of the work carried out at JRC Ispra in the Tritium-materials Interaction Laboratory, on the interaction of gaseous hydrogen with several materials of interest in the field of fusion technology. Experimental work is reported and a concise review of relevant theoretical and numerical supporting activity is given as well. A period of about seven years is covered since 1982. Current work and possible future extensions are also briefly mentioned. 11 figs., 18 refs

Energetic materials standards – Chemical compatibility

NARCIS (Netherlands)

Tuukkanen, I.M.; Bouma, R.H.B.

2014-01-01

Subgroup A Energetic Materials Team, SG/A (EMT), develops and maintains standards that are relevant to all life-cycle phases of ammunition/weapon systems. STANAG 4147 is the standard regarding chemical compatibility of explosives with munition components, and is a document of prime importance.

Effects of potassium hydroxide post-treatments on the field-emission properties of thermal chemical vapor deposited carbon nanotubes.

Science.gov (United States)

Lee, Li-Ying; Lee, Shih-Fong; Chang, Yung-Ping; Hsiao, Wei-Shao

2011-12-01

In this study, a simple potassium hydroxide treatment was applied to functionalize the surface and to modify the structure of multi-walled carbon nanotubes grown on silicon substrates by thermal chemical vapor deposition. Scanning electron microscopy, transmission electron microscopy, Raman spectroscopy, and energy dispersive spectrometry were employed to investigate the mechanism causing the modified field-emission properties of carbon nanotubes. From our experimental data, the emitted currents of carbon nanotubes after potassium hydroxide treatment are enhanced by more than one order of magnitude compared with those of untreated carbon nanotubes. The emitted current density of carbon nanotubes increases from 0.44 mA/cm2 to 7.92 mA/cm2 after 30 minutes KOH treatment. This technique provides a simple, economical, and effective way to enhance the field-emission properties of carbon nanotubes.

Aerosol chemical physics

International Nuclear Information System (INIS)

Marlow, W.H.

1982-01-01

A classification of the research fields in the chemical physics of aerosol microparticles is given. The emphasis lies on the microphysics of isolated particles and clusters and on physical transformations and thermodynamics. (LDN)

Lessons learned from the design of chemical space networks and opportunities for new applications

Science.gov (United States)

Vogt, Martin; Stumpfe, Dagmar; Maggiora, Gerald M.; Bajorath, Jürgen

2016-03-01

The concept of chemical space is of fundamental relevance in chemical informatics and computer-aided drug discovery. In a series of articles published in the Journal of Computer- Aided Molecular Design, principles of chemical space design were evaluated, molecular networks proposed as an alternative to conventional coordinate-based chemical reference spaces, and different types of chemical space networks (CSNs) constructed and analyzed. Central to the generation of CSNs was the way in which molecular similarity relationships were assessed and a primary focal point was the network-based representation of biologically relevant chemical space. The design and comparison of CSNs based upon alternative similarity measures can be viewed as an evolutionary path with interesting lessons learned along the way. CSN design has matured to the point that such chemical space representations can be used in practice. In this contribution, highlights from the sequence of CSN design efforts are discussed in context, providing a perspective for future practical applications.

Lessons learned from the design of chemical space networks and opportunities for new applications.

Science.gov (United States)

Vogt, Martin; Stumpfe, Dagmar; Maggiora, Gerald M; Bajorath, Jürgen

2016-03-01

The concept of chemical space is of fundamental relevance in chemical informatics and computer-aided drug discovery. In a series of articles published in the Journal of Computer-Aided Molecular Design, principles of chemical space design were evaluated, molecular networks proposed as an alternative to conventional coordinate-based chemical reference spaces, and different types of chemical space networks (CSNs) constructed and analyzed. Central to the generation of CSNs was the way in which molecular similarity relationships were assessed and a primary focal point was the network-based representation of biologically relevant chemical space. The design and comparison of CSNs based upon alternative similarity measures can be viewed as an evolutionary path with interesting lessons learned along the way. CSN design has matured to the point that such chemical space representations can be used in practice. In this contribution, highlights from the sequence of CSN design efforts are discussed in context, providing a perspective for future practical applications.

The use of mental models in chemical risk protection: developing a generic workplace methodology.

Science.gov (United States)

Cox, Patrick; Niewöhmer, Jörg; Pidgeon, Nick; Gerrard, Simon; Fischhoff, Baruch; Riley, Donna

2003-04-01

We adopted a comparative approach to evaluate and extend a generic methodology to analyze the different sets of beliefs held about chemical hazards in the workplace. Our study mapped existing knowledge structures about the risks associated with the use of perchloroethylene and rosin-based solder flux in differing workplaces. "Influence diagrams" were used to represent beliefs held by chemical experts; "user models" were developed from data elicited from open-ended interviews with the workplace users of the chemicals. The juxtaposition of expert and user understandings of chemical risks enabled us to identify knowledge gaps and misunderstandings and to reinforce appropriate sets of safety beliefs and behavior relevant to chemical risk communications. By designing safety information to be more relevant to the workplace context of users, we believe that employers and employees may gain improved knowledge about chemical hazards in the workplace, such that better chemical risk management, self-protection, and informed decision making develop over time.

Development, relevance, and applications of 'atom-at-a-time' techniques

International Nuclear Information System (INIS)

Hoffman, D.C.

2012-01-01

A brief history of the development and some of the first uses of 'atom-at-a-time' techniques to investigate the chemical and nuclear properties of the actinide and transactinide elements are presented. The currently known transactinides (all elements with Z > 103) were discovered using physical (nuclear) techniques rather than chemical separation techniques because of their short half-lives and low production rates and the difficulty in accurately predicting chemical properties of the heaviest elements because of relativistic effects. Some of the constraints on systems suitable for such studies and whether these tracer-scale results can be extended to the macro-scale are discussed. The relevance and importance of the methods and their potential for application to some current problems such as nuclear forensics and proliferation and environmental concerns are considered. The value of graduate research utilizing such techniques in helping to attract and educate the next generation of nuclear scientists is highlighted. (author)

Chemical Applications for Enhanced World Security

Energy Technology Data Exchange (ETDEWEB)

Leibman, Christopher Patrick [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

2017-07-19

The purpose of this project is to reduce complexity of chemical analysis by combining chemical and physical processing steps into on package; develop instrumentation that cost less and is easy to use in a field laboratory by non-experts; and develop this "chemical application" so uranium enrichment can be measured onsite, eliminating the need for radioactive sample transport.

Deep learning relevance

DEFF Research Database (Denmark)

Lioma, Christina; Larsen, Birger; Petersen, Casper

2016-01-01

train a Recurrent Neural Network (RNN) on existing relevant information to that query. We then use the RNN to "deep learn" a single, synthetic, and we assume, relevant document for that query. We design a crowdsourcing experiment to assess how relevant the "deep learned" document is, compared...... to existing relevant documents. Users are shown a query and four wordclouds (of three existing relevant documents and our deep learned synthetic document). The synthetic document is ranked on average most relevant of all....

Scaling up of renewable chemicals.

Science.gov (United States)

Sanford, Karl; Chotani, Gopal; Danielson, Nathan; Zahn, James A

2016-04-01

The transition of promising technologies for production of renewable chemicals from a laboratory scale to commercial scale is often difficult and expensive. As a result the timeframe estimated for commercialization is typically underestimated resulting in much slower penetration of these promising new methods and products into the chemical industries. The theme of 'sugar is the next oil' connects biological, chemical, and thermochemical conversions of renewable feedstocks to products that are drop-in replacements for petroleum derived chemicals or are new to market chemicals/materials. The latter typically offer a functionality advantage and can command higher prices that result in less severe scale-up challenges. However, for drop-in replacements, price is of paramount importance and competitive capital and operating expenditures are a prerequisite for success. Hence, scale-up of relevant technologies must be interfaced with effective and efficient management of both cell and steel factories. Details involved in all aspects of manufacturing, such as utilities, sterility, product recovery and purification, regulatory requirements, and emissions must be managed successfully. Copyright © 2016 Elsevier Ltd. All rights reserved.

Field profile and loading measurements on higher order modes in a two cell 500 MHz superconducting structure

International Nuclear Information System (INIS)

Barry, W.; Edighoffer, J.; Chattopadhyay, S.; Fornaca, S.

1992-08-01

The Infrared Free Electron Laser, being designed at LBL as part of the Chemical Dynamics Research Laboratory, is based on a 500 MHz superconducting linac driver that consists of five 4-cell structures of the CERN/DESY type. A 500 MHz, 2-cell version of this structure is being used in a joint Stanford/LBL/BNL program to study accelerator issues relevant to the FEL applications. As part of this study, field profile and loading measurements of higher order modes have been made on the prototype structure

Wearable bio and chemical sensors

OpenAIRE

Coyle, Shirley; Curto, Vincenzo F.; Benito-Lopez, Fernando; Florea, Larisa; Diamond, Dermot

2014-01-01

Chemical and biochemical sensors have experienced tremendous growth in the past decade due to advances in material chemistry combined with the emergence of digital communication technologies and wireless sensor networks (WSNs) [1]. The emergence of wearable chemical and biochemical sensors is a relatively new concept that poses unique challenges to the field of wearable sensing. This is because chemical sensors have a more complex mode of operation, compared to physical transducers, in that t...

Annual Report 2000. Chemical Structure and Dynamics

Energy Technology Data Exchange (ETDEWEB)

Colson, Steven D.; McDowell, Robin S.

2001-04-15

This annual report describes the research and accomplishments of the Chemical Structure and Dynamics Program in the year 2000, one of six research programs at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) - a multidisciplinary, national scientific user facility and research organization. The Chemical Structure and Dynamics (CS&D) program is meeting the need for a fundamental, molecular-level understanding by 1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; 2) developing a multidisciplinary capability for describing interfacial chemical processes relevant to environmental chemistry; and 3) developing state-of-the-art research and analytical methods for characterizing complex materials of the types found in natural and contaminated systems.

Chemically-resolved aerosol volatility measurements from two megacity field studies

Directory of Open Access Journals (Sweden)

J. A. Huffman

2009-09-01

Full Text Available The volatilities of different chemical species in ambient aerosols are important but remain poorly characterized. The coupling of a recently developed rapid temperature-stepping thermodenuder (TD, operated in the range 54–230°C with a High-Resolution Time-of-Flight Aerosol Mass Spectrometer (HR-ToF-AMS during field studies in two polluted megacities has enabled the first direct characterization of chemically-resolved urban particle volatility. Measurements in Riverside, CA and Mexico City are generally consistent and show ambient nitrate as having the highest volatility of any AMS standard aerosol species while sulfate showed the lowest volatility. Total organic aerosol (OA showed volatility intermediate between nitrate and sulfate, with an evaporation rate of 0.6%·K⁻¹ near ambient temperature, although OA dominates the residual species at the highest temperatures. Different types of OA were characterized with marker ions, diurnal cycles, and positive matrix factorization (PMF and show significant differences in volatility. Reduced hydrocarbon-like OA (HOA, a surrogate for primary OA, POA, oxygenated OA (OOA, a surrogate for secondary OA, SOA, and biomass-burning OA (BBOA separated with PMF were all determined to be semi-volatile. The most aged OOA-1 and its dominant ion, CO₂⁺, consistently exhibited the lowest volatility, with HOA, BBOA, and associated ions for each among the highest. The similar or higher volatility of HOA/POA compared to OOA/SOA contradicts the current representations of OA volatility in most atmospheric models and has important implications for aerosol growth and lifetime. A new technique using the AMS background signal was demonstrated to quantify the fraction of species up to four orders-of-magnitude less volatile than those detectable in the MS mode, which for OA represent ~5% of the non-refractory (NR OA signal. Our results strongly imply that all OA types should be considered

Chemical technology of the systems, partitioning and separation, disposal

International Nuclear Information System (INIS)

Volk, V.I.

1997-01-01

A reactor-accelerator reprocessing complex is described. The complex comprises an electronuclear transmutation installation and chemical and technological support units for maintenance of the steady-state of the blanket, separation of short-lived transmutation products to be disposed of from other components of the blanket, chemical conversion to relevant stable species of products to be disposed of for interim storage and disposal

Wireless Chemical Sensor and Sensing Method for Use Therewith

Science.gov (United States)

Woodard, Stanley E. (Inventor); Oglesby, Donald M. (Inventor); Taylor, Bryant D. (Inventor)

2016-01-01

A wireless chemical sensor includes an electrical conductor and a material separated therefrom by an electric insulator. The electrical conductor is an unconnected open-circuit shaped for storage of an electric field and a magnetic field. In the presence of a time-varying magnetic field, the first electrical conductor resonates to generate harmonic electric and magnetic field responses. The material is positioned at a location lying within at least one of the electric and magnetic field responses so-generated. The material changes in electrical conductivity in the presence of a chemical-of-interest.

Service activities of chemical analysis division

International Nuclear Information System (INIS)

Eom, Tae Yoon; Suh, Moo Yul; Park, Kyoung Kyun; Jung, Ki Suk; Joe, Kih Soo; Jee, Kwang Yong; Jung, Woo Sik; Sohn, Se Chul; Yeo, In Heong; Han, Sun Ho

1988-12-01

Progress of the Division during the year of 1988 was described on the service activities for various R and D projects carrying out in the Institute, for the fuel fabrication and conversion plant, and for the post-irradiation examination facility. Relevant analytical methodologies developed for the chemical analysis of an irradiated fuel, safeguards chemical analysis, and pool water monitoring were included such as chromatographic separation of lanthanides, polarographic determination of dissolved oxygen in water, and automation on potentiometric titration of uranium. Some of the laboratory manuals revised were also included in this progress report. (Author)

Physico-chemical properties and fatty acid composition of pomegranate, cherry and pumpkin seed oils.

Science.gov (United States)

Siano, Francesco; Straccia, Maria C; Paolucci, Marina; Fasulo, Gabriella; Boscaino, Floriana; Volpe, Maria G

2016-03-30

Nut and seed oils are often considered waste products but in recent years they have been receiving growing interest due to their high concentration of hydrophilic and lipophilic bioactive components, which have important pharmacological properties on human health. The aim of this work was to compare the physico-chemical and biochemical properties of pomegranate (Punicagranatum), sweet cherry (Prunusavium) and pumpkin (Cucurbita maxima) seed oils obtained by solvent extraction. High amount of linoleic acid was found in the cherry and pumpkin seed oils, while pomegranate seed oil showed relevant content of polyunsaturated fatty acids (PUFAs) and monounsaturated fatty acids (MUFAs) along to eicosapentaenoic acid (EPA) and nervonic acid. Pumpkin seed oil had high concentration of carotenoids, while pomegranate oil was the best absorber in the UV-A and UV-B ranges. Pomegranate, cherry and pumpkin seed oils can be an excellent source of bioactive molecules and antioxidant compounds such as polyphenols, carotenoids and unsaturated fatty acids. These seed oils can be included both as preservatives and functional ingredients in the food, pharmaceutical and cosmetic fields and can contribute to disease prevention and health promotion. Moreover, high absorbance of UV light indicates a potential use of these oils as filters from radiations in the food, pharmaceutical, and cosmetic fields. © 2015 Society of Chemical Industry.

Chemical and catalytic effects of ion implantation

International Nuclear Information System (INIS)

Wolf, G.K.

1982-01-01

Energetic particles are used for inducing chemical reactions as well as for modifying the properties of materials with regard to their bulk and surface chemical behavior. The effects are partly caused by radiation damage or phase intermixing, partly by the chemical properties of the individual bombarding particles. In this contribution a survey of relevant applications of these techniques is presented: (1) Chemical reactions of implanted and recoil atoms and their use for syntheses, doping and labeling of compounds. (2) The formation of thin films by decomposing chemical compounds with ion beams. 3) Catalytic effects on substrates treated by sputtering or ion implantation. Recent results with nonmetallic substrates are reviewed. Mainly hydrogenation reactions at a solid/gas interface or redox reactions at an electrified solid/liquid interface are mentioned. The present status and future prospects of these kinds of investigations will be discussed. (author)

Effects of Shepherd’s Purse (Capsella bursa pastoris (L. Medic. on the Chemical Composition of Lucerne (Medicago sativa L.

Directory of Open Access Journals (Sweden)

Tsvetanka Dimitrova

2008-01-01

Full Text Available A study was conducted in a pure stand of lucerne (variety Viktoria under natural weed infestation with shepherd’s purse (Capsella bursa pastoris (L. Medic. on a slightly leached chernozem soil under nonirrigated conditions in the experimental field of the Institute ofForage Crops – Pleven during the 2006-2007 period. The effect of shepherd’s purse Capsella bursa pastoris (L. Medic. on the chemical composition of lucerne Medicago sativa (L. was analyzed.Statistically significant (P<0.05 functional relations were found between the chemical characteristics and percentage of Capsella bursa pastoris (L. Medic. participation in the lucerne sward, and forage quality. These relations indicated a multiple practical relevance and a necessity to control Capsella bursa pastoris (L. Medic. in lucerne stands in order to decrease weed density and improve forage quality.

Olive oil pilot-production assisted by pulsed electric field: impact on extraction yield, chemical parameters and sensory properties.

Science.gov (United States)

Puértolas, Eduardo; Martínez de Marañón, Iñigo

2015-01-15

The impact of the use of pulsed electric field (PEF) technology on Arroniz olive oil production in terms of extraction yield and chemical and sensory quality has been studied at pilot scale in an industrial oil mill. The application of a PEF treatment (2 kV/cm; 11.25 kJ/kg) to the olive paste significantly increased the extraction yield by 13.3%, with respect to a control. Furthermore, olive oil obtained by PEF showed total phenolic content, total phytosterols and total tocopherols significantly higher than control (11.5%, 9.9% and 15.0%, respectively). The use of PEF had no negative effects on general chemical and sensory characteristics of the olive oil, maintaining the highest quality according to EU legal standards (EVOO; extra virgin olive oil). Therefore, PEF could be an appropriate technology to improve olive oil yield and produce EVOO enriched in human-health-related compounds, such as polyphenols, phytosterols and tocopherols. Copyright © 2014 Elsevier Ltd. All rights reserved.

Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Plenary reports. Engineering of inorganic substances and materials

International Nuclear Information System (INIS)

Zakhodyaeva, Yu.A.; Belova, V.V.

2012-01-01

In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning chemical engineering of inorganic substances and materials. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

Chemicals regulation and the Porter Hypothesis:a critical review of the new European chemicals regulation

OpenAIRE

Frohwein, T. (Torsten); Hansjürgens, B. (Bernd)

2005-01-01

In this contribution, discussions about the Porter Hypothesis and the pros and cons of the new European chemicals regulation system REACH are tied together. The contribution seeks to apply the Porter Hypothesis to the field of European chemicals regulation. Porter’s claim of positive effects of regulation on innovations seems especially important for the chemicals sector pursuing differentiation. But, understanding Porter’s concept of strategic management indicates that certain segments of th...

The Biological and Chemical Oceanography Data Management Office

Science.gov (United States)

Allison, M. D.; Chandler, C. L.; Groman, R. C.; Wiebe, P. H.; Glover, D. M.; Gegg, S. R.

2011-12-01

Oceanography and marine ecosystem research are inherently interdisciplinary fields of study that generate and require access to a wide variety of measurements. In late 2006 the Biological and Chemical Oceanography Sections of the National Science Foundation (NSF) Geosciences Directorate Division of Ocean Sciences (OCE) funded the Biological and Chemical Oceanography Data Management Office (BCO-DMO). In late 2010 additional funding was contributed to support management of research data from the NSF Office of Polar Programs Antarctic Organisms & Ecosystems Program. The BCO-DMO is recognized in the 2011 Division of Ocean Sciences Sample and Data Policy as one of several program specific data offices that support NSF OCE funded researchers. BCO-DMO staff members offer data management support throughout the project life cycle to investigators from large national programs and medium-sized collaborative research projects, as well as researchers from single investigator awards. The office manages and serves all types of oceanographic data and information generated during the research process and contributed by the originating investigators. BCO-DMO has built a data system that includes the legacy data from several large ocean research programs (e.g. United States Joint Global Ocean Flux Study and United States GLOBal Ocean ECosystems Dynamics), to which data have been contributed from recently granted NSF OCE and OPP awards. The BCO-DMO data system can accommodate many different types of data including: in situ and experimental biological, chemical, and physical measurements; modeling results and synthesis data products. The system enables reuse of oceanographic data for new research endeavors, supports synthesis and modeling activities, provides availability of "real data" for K-12 and college level use, and provides decision-support field data for policy-relevant investigations. We will present an overview of the data management system capabilities including: map

Human and animal health risk assessments of chemicals in the food chain: Comparative aspects and future perspectives

International Nuclear Information System (INIS)

Dorne, J.L.C.M.; Fink-Gremmels, J.

2013-01-01

Chemicals from anthropogenic and natural origins enter animal feed, human food and water either as undesirable contaminants or as part of the components of a diet. Over the last five decades, considerable efforts and progress to develop methodologies to protect humans and animals against potential risks associated with exposure to such potentially toxic chemicals have been made. This special issue presents relevant methodological developments and examples of risk assessments of undesirable substances in the food chain integrating the animal health and the human health perspective and refers to recent Opinions of the Scientific Panel on Contaminants in the Food Chain (CONTAM) of the European Food Safety Authority (EFSA). This introductory review aims to give a comparative account of the risk assessment steps used in human health and animal health risk assessments for chemicals in the food chain and provides a critical view of the data gaps and future perspectives for this cross-disciplinary field. - Highlights: ► Principles of human and animal health risk assessment. ► Data gaps for each step of animal health risk assessment. ► Implications of animal risk assessment on human risk assessment. ► Future perspectives on chemical risk assessment

Human and animal health risk assessments of chemicals in the food chain: Comparative aspects and future perspectives

Energy Technology Data Exchange (ETDEWEB)

Dorne, J.L.C.M., E-mail: jean-lou.dorne@efsa.europa.eu [Emerging Risk Unit, Via Carlo Magno 1A, 43126 Parma (Italy); Fink-Gremmels, J. [Utrecht University, Faculty of Veterinary Medicine, Institute for Risk Assessment Sciences, Yalelaan 104, 3584 CM Utrecht (Netherlands)

2013-08-01

Chemicals from anthropogenic and natural origins enter animal feed, human food and water either as undesirable contaminants or as part of the components of a diet. Over the last five decades, considerable efforts and progress to develop methodologies to protect humans and animals against potential risks associated with exposure to such potentially toxic chemicals have been made. This special issue presents relevant methodological developments and examples of risk assessments of undesirable substances in the food chain integrating the animal health and the human health perspective and refers to recent Opinions of the Scientific Panel on Contaminants in the Food Chain (CONTAM) of the European Food Safety Authority (EFSA). This introductory review aims to give a comparative account of the risk assessment steps used in human health and animal health risk assessments for chemicals in the food chain and provides a critical view of the data gaps and future perspectives for this cross-disciplinary field. - Highlights: ► Principles of human and animal health risk assessment. ► Data gaps for each step of animal health risk assessment. ► Implications of animal risk assessment on human risk assessment. ► Future perspectives on chemical risk assessment.

Static and low frequency electric and magnetic fields

International Nuclear Information System (INIS)

Thommesen, G.; Tynes, T.

1994-01-01

The biological effects of exposure to low frequency electric and magnetic fields are reviewed with the objective of summarizing effects directly relevant to considerations of the health and safety of exposed people. Static and low frequency electric and magnetic fields may elicit biological reactions. Whether exposure to such fields may affect human health at field strengths present in everyday or occupational life is still unsettled. There is unsufficient knowledge to establish any dose concept relevant to health risk. 196 refs., 6 tabs

Supporting pre-service science teachers in developing culturally relevant pedagogy

Science.gov (United States)

Krajeski, Stephen

This study employed a case study methodology to investigate a near-authentic intervention program designed to support the development of culturally relevant pedagogy and its impact on pre-service science teachers' notions of culturally relevant pedagogy. The unit of analysis for this study was the discourse of pre-service science teachers enrolled in a second semester science methods course, which was the site of the intervention program. Data for this study was collected from videos of classroom observations, audio recordings of personal interviews, and artifacts created by the pre-service science teachers during the class. To determine how effective science teacher certification programs are at supporting the development of culturally relevant pedagogy without an immersion aspect, two research questions were investigated: 1) How do pre-service science teachers view and design pedagogy while participating in an intervention designed to support the development of culturally relevant pedagogy? 2) How do pre-service science teachers view the importance of culturally relevant pedagogy for supporting student learning? How do their practices in the field change these initial views?

Assessing the relevance of ecotoxicological studies for regulatory decision making.

Science.gov (United States)

Rudén, Christina; Adams, Julie; Ågerstrand, Marlene; Brock, Theo Cm; Poulsen, Veronique; Schlekat, Christian E; Wheeler, James R; Henry, Tala R

2017-07-01

Regulatory policies in many parts of the world recognize either the utility of or the mandate that all available studies be considered in environmental or ecological hazard and risk assessment (ERA) of chemicals, including studies from the peer-reviewed literature. Consequently, a vast array of different studies and data types need to be considered. The first steps in the evaluation process involve determining whether the study is relevant to the ERA and sufficiently reliable. Relevance evaluation is typically performed using existing guidance but involves application of "expert judgment" by risk assessors. In the present paper, we review published guidance for relevance evaluation and, on the basis of the practical experience within the group of authors, we identify additional aspects and further develop already proposed aspects that should be considered when conducting a relevance assessment for ecotoxicological studies. From a regulatory point of view, the overarching key aspect of relevance concerns the ability to directly or indirectly use the study in ERA with the purpose of addressing specific protection goals and ultimately regulatory decision making. Because ERA schemes are based on the appropriate linking of exposure and effect estimates, important features of ecotoxicological studies relate to exposure relevance and biological relevance. Exposure relevance addresses the representativeness of the test substance, environmental exposure media, and exposure regime. Biological relevance deals with the environmental significance of the test organism and the endpoints selected, the ecological realism of the test conditions simulated in the study, as well as a mechanistic link of treatment-related effects for endpoints to the protection goal identified in the ERA. In addition, uncertainties associated with relevance should be considered in the assessment. A systematic and transparent assessment of relevance is needed for regulatory decision making. The relevance

Chemical Safety Vulnerability Working Group report. Volume 3

Energy Technology Data Exchange (ETDEWEB)

1994-09-01

The Chemical Safety Vulnerability (CSV) Working Group was established to identify adverse conditions involving hazardous chemicals at DOE facilities that might result in fires or explosions, release of hazardous chemicals to the environment, or exposure of workers or the public to chemicals. A CSV Review was conducted in 148 facilities at 29 sites. Eight generic vulnerabilities were documented related to: abandoned chemicals and chemical residuals; past chemical spills and ground releases; characterization of legacy chemicals and wastes; disposition of legacy chemicals; storage facilities and conditions; condition of facilities and support systems; unanalyzed and unaddressed hazards; and inventory control and tracking. Weaknesses in five programmatic areas were also identified related to: management commitment and planning; chemical safety management programs; aging facilities that continue to operate; nonoperating facilities awaiting deactivation; and resource allocations. Volume 3 consists of eleven appendices containing the following: Field verification reports for Idaho National Engineering Lab., Rocky Flats Plant, Brookhaven National Lab., Los Alamos National Lab., and Sandia National Laboratories (NM); Mini-visits to small DOE sites; Working Group meeting, June 7--8, 1994; Commendable practices; Related chemical safety initiatives at DOE; Regulatory framework and industry initiatives related to chemical safety; and Chemical inventory data from field self-evaluation reports.

Chemical Safety Vulnerability Working Group report. Volume 3

International Nuclear Information System (INIS)

1994-09-01

The Chemical Safety Vulnerability (CSV) Working Group was established to identify adverse conditions involving hazardous chemicals at DOE facilities that might result in fires or explosions, release of hazardous chemicals to the environment, or exposure of workers or the public to chemicals. A CSV Review was conducted in 148 facilities at 29 sites. Eight generic vulnerabilities were documented related to: abandoned chemicals and chemical residuals; past chemical spills and ground releases; characterization of legacy chemicals and wastes; disposition of legacy chemicals; storage facilities and conditions; condition of facilities and support systems; unanalyzed and unaddressed hazards; and inventory control and tracking. Weaknesses in five programmatic areas were also identified related to: management commitment and planning; chemical safety management programs; aging facilities that continue to operate; nonoperating facilities awaiting deactivation; and resource allocations. Volume 3 consists of eleven appendices containing the following: Field verification reports for Idaho National Engineering Lab., Rocky Flats Plant, Brookhaven National Lab., Los Alamos National Lab., and Sandia National Laboratories (NM); Mini-visits to small DOE sites; Working Group meeting, June 7--8, 1994; Commendable practices; Related chemical safety initiatives at DOE; Regulatory framework and industry initiatives related to chemical safety; and Chemical inventory data from field self-evaluation reports

Physical and chemical evaluation of the effect of a magnetic field on the electrodeposition of Ni in low carbon steel

International Nuclear Information System (INIS)

Campo G, G. A.

2015-01-01

In this study nickel coatings were obtained, with and without the presence of magnetic field at 60 degrees Celsius for 7, 12 and 17 minutes on substrates of AISI 1018 carbon steel, from a classical type Watts solution. The properties of the coatings were studied by X-ray diffraction, scanning electron microscopy and atomic force microscopy, hardness tester and roughness tester, the electrochemical behavior of the films was also studied through RP and EIE and also capacitance calculations, corrosion rate and thickness were made. In general, the magnetic field has a negative influence on the physical and chemical properties of an electrodeposited Ni steel AISI 1018. The details are discussed in this research. (Author)

Book of abstracts Chemical Engineering: IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists. Materials of All-Russian Symposium on chemistry and extraction engineering. Chemical-metallurgical processes of ore and secondary raw material processing. Analytical control of chemical industries, man-made and natural objects

International Nuclear Information System (INIS)

Zakhodyaeva, Yu.A.; Belova, V.V.

2012-01-01

In the given volume of abstracts of the IV All-Russian Conference on chemical engineering, All-Russian Youth Conference on chemical engineering, All-Russian school on chemical engineering for young scientists and specialists (Moscow, March 18-23, 2012) there are the abstracts of the reports concerning polymer and composite materials technology as well as catalysis in chemical engineering. The abstracts deal with state-of-the-art and future development of theoretical and experimental investigations as well as with experience in practical realization of development works in the field of chemical engineering and relative areas [ru

Some variations of the Kristallin-I near-field model

Energy Technology Data Exchange (ETDEWEB)

Smith, P A; Curti, E [Paul Scherrer Inst. (PSI), Villigen (Switzerland)

1995-11-01

The Kristallin-I project is an integrated analysis of the final disposal of vitrified high-level radioactive waste (HLW) in the crystalline basement of Northern Switzerland. It includes an analysis of the radiological consequences of radionuclide release from a repository. This analysis employs a chain of independent models for the near-field, geosphere and biosphere. In constructing these models, processes are incorporated that are believed to be relevant to repository safety, while other processes are neglected. In the present report, a set of simplified, steady-state models of the near-field is developed to investigate the possible effects of specific processes which are neglected in the time-dependent Kristallin-I near-field model. These processes are neglected, either because (i) they are thought unlikely to occur to a significant degree, or because (ii) they are likely to make a positive contribution to the performance of the near-field barrier to radionuclide migration, but are insufficiently understood to justify incorporating them in a safety assessment. The aim of this report is to investigate whether the arguments for neglecting these processes in the Kristallin-I near-field model can be justified. This work addresses the following topics: - radionuclide transport at the bentonite-host rock interface, - canister settlement, -chemical conditions and radionuclide transport at the glass-bentonite interface. (author) figs., tabs., refs.

Some variations of the Kristallin-I near-field model

International Nuclear Information System (INIS)

Smith, P.A.; Curti, E.

1995-11-01

The Kristallin-I project is an integrated analysis of the final disposal of vitrified high-level radioactive waste (HLW) in the crystalline basement of Northern Switzerland. It includes an analysis of the radiological consequences of radionuclide release from a repository. This analysis employs a chain of independent models for the near-field, geosphere and biosphere. In constructing these models, processes are incorporated that are believed to be relevant to repository safety, while other processes are neglected. In the present report, a set of simplified, steady-state models of the near-field is developed to investigate the possible effects of specific processes which are neglected in the time-dependent Kristallin-I near-field model. These processes are neglected, either because (i) they are thought unlikely to occur to a significant degree, or because (ii) they are likely to make a positive contribution to the performance of the near-field barrier to radionuclide migration, but are insufficiently understood to justify incorporating them in a safety assessment. The aim of this report is to investigate whether the arguments for neglecting these processes in the Kristallin-I near-field model can be justified. This work addresses the following topics: - radionuclide transport at the bentonite-host rock interface, - canister settlement, -chemical conditions and radionuclide transport at the glass-bentonite interface. (author) figs., tabs., refs

A review of hydrological and chemical stressors in the Adige catchment and its ecological status.

Science.gov (United States)

Chiogna, Gabriele; Majone, Bruno; Cano Paoli, Karina; Diamantini, Elena; Stella, Elisa; Mallucci, Stefano; Lencioni, Valeria; Zandonai, Fabiana; Bellin, Alberto

2016-01-01

Quantifying the effects of multiple stressors on Alpine freshwater ecosystems is challenging, due to the lack of tailored field campaigns for the contemporaneous measurement of hydrological, chemical and ecological parameters. Conducting exhaustive field campaigns is costly and hence most of the activities so far have been performed addressing specific environmental issues. An accurate analysis of existing information is therefore useful and necessary, to identify stressors that may act in synergy and to design new field campaigns. We present an extended review of available studies and datasets concerning the hydrological, chemical and ecological status of the Adige, which is the second longest river and the third largest river basin in Italy. The most relevant stressors are discussed in the light of the information extracted from a large number of studies. The detailed analysis of these studies identified that hydrological alterations caused by hydropower production are the main source of stress for the freshwater ecosystems in the Adige catchment. However, concurrent effects with other stressors, such as the release of pollutants from waste water treatment plants or from agricultural and industrial activities, have not been explored at depth, so far. A wealth of available studies address a single stressor separately without exploring their concurrent effect. It is concluded that a combination of extended experimental field campaigns, focusing on the coupled effects of multiple stressors, and modeling activities is highly needed in order to quantify the impact of the multifaceted human pressures on freshwater ecosystems in the Adige river. Copyright © 2015. Published by Elsevier B.V.

Radiochemical problems of radiation chemical synthesis in n, γ-field of nuclear reactor

International Nuclear Information System (INIS)

Mironov, V.P.; Frejdus, N.V.; Bugaenko, L.T.; Kalyazin, E.P.; Petryaev, E.P.

1981-01-01

A wide applicability of products of radiation chemical synthesis (RCS), using n, γ-irradiation, is limited by possible contamination of the latter with long-lived radioactive isotopes of chemical elements included in the composition of the reagent and compounds syntesized (chemically non-separable radionuclides - CNR). A technique of the determination of the limit accumulation CNR on the basis of radiation chemical parameters of the synthesis (radiation-chemical yield, the dose rate absorbed, singleness of purpose of RCS etc.) and radiochemical parameters of formation and accumulation of CNR (radiochemical yields of CNR in the products of radiolysis, neutron fluence, the reagent purity etc.) is suggested. The radiochemical evaluation of CNR accumulation (tritium and carbon-14), formed at the expense of activation with neutrons of chemical elements of water and organic substances, consisting of hydrogen, carbon and oxygen has shown that at relatively low yields of final products (> or approximately 3 molecules/100 eV) no accumulation of radionuclides in concentrations reaching the average admissible concentration takes place [ru

Galactic Doppelgängers: The Chemical Similarity Among Field Stars and Among Stars with a Common Birth Origin

Science.gov (United States)

Ness, M.; Rix, H.-W.; Hogg, David W.; Casey, A. R.; Holtzman, J.; Fouesneau, M.; Zasowski, G.; Geisler, D.; Shetrone, M.; Minniti, D.; Frinchaboy, Peter M.; Roman-Lopes, Alexandre

2018-02-01

We explore to what extent stars within Galactic disk open clusters resemble each other in the high-dimensional space of their photospheric element abundances and contrast this with pairs of field stars. Our analysis is based on abundances for 20 elements, homogeneously derived from APOGEE spectra (with carefully quantified uncertainties of typically 0.03 dex). We consider 90 red giant stars in seven open clusters and find that most stars within a cluster have abundances in most elements that are indistinguishable (in a {χ }2-sense) from those of the other members, as expected for stellar birth siblings. An analogous analysis among pairs of > 1000 field stars shows that highly significant abundance differences in the 20 dimensional space can be established for the vast majority of these pairs, and that the APOGEE-based abundance measurements have high discriminating power. However, pairs of field stars whose abundances are indistinguishable even at 0.03 dex precision exist: ∼0.3% of all field star pairs and ∼1.0% of field star pairs at the same (solar) metallicity [Fe/H] = 0 ± 0.02. Most of these pairs are presumably not birth siblings from the same cluster, but rather doppelgängers. Our analysis implies that “chemical tagging” in the strict sense, identifying birth siblings for typical disk stars through their abundance similarity alone, will not work with such data. However, our approach shows that abundances have extremely valuable information for probabilistic chemo-orbital modeling, and combined with velocities, we have identified new cluster members from the field.

Advances in chemical sensing technologies for VOCs in breath for security/threat assessment, illicit drug detection, and human trafficking activity.

Science.gov (United States)

Giannoukos, S; Agapiou, A; Taylor, S

2018-01-17

On-site chemical sensing of compounds associated with security and terrorist attacks is of worldwide interest. Other related bio-monitoring topics include identification of individuals posing a threat from illicit drugs, explosive manufacturing, as well as searching for victims of human trafficking and collapsed buildings. The current status of field analytical technologies is directed towards the detection and identification of vapours and volatile organic compounds (VOCs). Some VOCs are associated with exhaled breath, where research is moving from individual breath testing (volatilome) to cell breath (microbiome) and most recently to crowd breath metabolites (exposome). In this paper, an overview of field-deployable chemical screening technologies (both stand-alone and those with portable characteristics) is given with application to early detection and monitoring of human exposome in security operations. On-site systems employed in exhaled breath analysis, i.e. mass spectrometry (MS), optical spectroscopy and chemical sensors are reviewed. Categories of VOCs of interest include (a) VOCs in human breath associated with exposure to threat compounds, and (b) VOCs characteristic of, and associated with, human body odour (e.g. breath, sweat). The latter are relevant to human trafficking scenarios. New technological approaches in miniaturised detection and screening systems are also presented (e.g. non-scanning digital light processing linear ion trap MS (DLP-LIT-MS), nanoparticles, mid-infrared photo-acoustic spectroscopy and hyphenated technologies). Finally, the outlook for rapid and precise, real-time field detection of threat traces in exhaled breath is revealed and discussed.

[Effects of combined applications of pig manure and chemical fertilizers on CH4 and N2O emissions and their global warming potentials in paddy fields with double-rice cropping].

Science.gov (United States)

Wang, Cong; Shen, Jian-Lin; Zheng, Liang; Liu, Jie-Yun; Qin, Hong-Ling; Li, Yong; Wu, Jin-Shui

2014-08-01

A field experiment was carried out to study the effects of combined applications of pig manure and chemical fertilizers on CH4 and N2O emissions, which were measured using the static chamber/gas chromatography method, and their global warming potentials in typical paddy fields with double-rice cropping in Hunan province. The results showed that the combined applications of pig manure and chemical fertilizers did not change the seasonal patterns of CH4 and N2O emissions from paddy soils, but significantly changed the magnitudes of CH4 and N2O fluxes in rice growing seasons as compared with sole application of chemical fertilizers. During the two rice growing seasons, the cumulative CH4 emissions for the pig manure and chemical nitrogen (N) fertilizer each contributing to 50% of the total applied N (1/2N + PM) treatment were higher than those for the treatments of no N fertilizer (ON), half amount of chemical N fertilizer (1/2N) and 100% chemical N fertilizer (N) by 54.83%, 33.85% and 43.30%, respectively (P global warming potential (GWP) in both rice growing seasons, which contributed more than 99% to the integrated GWP of CH4 and N2O emissions for all the four treatments. Both GWP and yield-scaled GWP for the treatment of 1/2N + PM were significantly higher than the other three treatments. The yield-scaled GWP for the treatment of 1/2N + PM was higher than those for the N, 1/2N and ON treatments by 58.21%, 26.82% and 20. 63%, respectively. Therefore, combined applications of pig manure and chemical fertilizers in paddy fields would increase the GWP of CH4 and N2O emissions during rice growing seasons and this effect should be considered in regional greenhouse gases emissions inventory.

Effect of oxygen plasma on field emission characteristics of single-wall carbon nanotubes grown by plasma enhanced chemical vapour deposition system

Energy Technology Data Exchange (ETDEWEB)

Kumar, Avshish; Parveen, Shama; Husain, Samina; Ali, Javid; Zulfequar, Mohammad [Department of Physics, Jamia Millia Islamia (A Central University), New Delhi 110025 (India); Harsh [Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India); Husain, Mushahid, E-mail: mush-reslab@rediffmail.com [Department of Physics, Jamia Millia Islamia (A Central University), New Delhi 110025 (India); Centre for Nanoscience and Nanotechnology, Jamia Millia Islamia, New Delhi 110025 (India)

2014-02-28

Field emission properties of single wall carbon nanotubes (SWCNTs) grown on iron catalyst film by plasma enhanced chemical vapour deposition system were studied in diode configuration. The results were analysed in the framework of Fowler-Nordheim theory. The grown SWCNTs were found to be excellent field emitters, having emission current density higher than 20 mA/cm{sup 2} at a turn-on field of 1.3 V/μm. The as grown SWCNTs were further treated with Oxygen (O{sub 2}) plasma for 5 min and again field emission characteristics were measured. The O{sub 2} plasma treated SWCNTs have shown dramatic improvement in their field emission properties with emission current density of 111 mA/cm{sup 2} at a much lower turn on field of 0.8 V/μm. The as grown as well as plasma treated SWCNTs were also characterized by various techniques, such as scanning electron microscopy, high resolution transmission electron microscopy, Raman spectroscopy, and Fourier transform infrared spectroscopy before and after O{sub 2} plasma treatment and the findings are being reported in this paper.

New perspectives in toxicological information management, and the role of ISSTOX databases in assessing chemical mutagenicity and carcinogenicity.

Science.gov (United States)

Benigni, Romualdo; Battistelli, Chiara Laura; Bossa, Cecilia; Tcheremenskaia, Olga; Crettaz, Pierre

2013-07-01

Currently, the public has access to a variety of databases containing mutagenicity and carcinogenicity data. These resources are crucial for the toxicologists and regulators involved in the risk assessment of chemicals, which necessitates access to all the relevant literature, and the capability to search across toxicity databases using both biological and chemical criteria. Towards the larger goal of screening chemicals for a wide range of toxicity end points of potential interest, publicly available resources across a large spectrum of biological and chemical data space must be effectively harnessed with current and evolving information technologies (i.e. systematised, integrated and mined), if long-term screening and prediction objectives are to be achieved. A key to rapid progress in the field of chemical toxicity databases is that of combining information technology with the chemical structure as identifier of the molecules. This permits an enormous range of operations (e.g. retrieving chemicals or chemical classes, describing the content of databases, finding similar chemicals, crossing biological and chemical interrogations, etc.) that other more classical databases cannot allow. This article describes the progress in the technology of toxicity databases, including the concepts of Chemical Relational Database and Toxicological Standardized Controlled Vocabularies (Ontology). Then it describes the ISSTOX cluster of toxicological databases at the Istituto Superiore di Sanitá. It consists of freely available databases characterised by the use of modern information technologies and by curation of the quality of the biological data. Finally, this article provides examples of analyses and results made possible by ISSTOX.

Field profile and loading measurements on higher order modes in a two cell 500 MHz superconducting structure

International Nuclear Information System (INIS)

Barry, W.; Edighoffer, J.; Chattopadhyay, S.; Fornaco, S.

1992-01-01

The Infrared Free Electron Laser, being designed at LBL as part of the Chemical Dynamics Research Laboratory, is based on a 500 MHz superconducting linac driver that consists of five 4-cell structures of the CERN/DESY type. A 500 MHz, 2-cell version of this structure is being used in a joint Stanford/LBL/BNL program to study accelerator issues relevant to the FEL applications. As part of this study, field profile and loading measurements of higher order modes have been made on the prototype structure. (Author) 3 refs., 2 figs., tab

Testing insecticidal activity of novel chemically synthesized siRNA against Plutella xylostella under laboratory and field conditions.

Directory of Open Access Journals (Sweden)

Liang Gong

Full Text Available BACKGROUND: Over the last 60 years, synthetic chemical pesticides have served as a main tactic in the field of crop protection, but their availability is now declining as a result of the development of insect resistance. Therefore, alternative pest management agents are needed. However, the demonstration of RNAi gene silencing in insects and its successful usage in disrupting the expression of vital genes opened a door to the development of a variety of novel, environmentally sound approaches for insect pest management. METHODOLOGY/PRINCIPAL FINDINGS: Six small interfering RNAs (siRNAs were chemically synthesized and modified according to the cDNA sequence of P. xylostella acetylcholine esterase genes AChE1 and AChE2. All of them were formulated and used in insecticide activity screening against P. xylostella. Bioassay data suggested that Si-ace1_003 and Si-ace2_001 at a concentration of 3 µg cm(-2 displayed the best insecticidal activity with 73.7% and 89.0%, mortality, respectively. Additional bioassays were used to obtain the acute lethal concentrations of LC50 and LC90 for Si-ace2_001, which were 53.66 µg/ml and 759.71 µg/ml, respectively. Quantitative Real-time PCR was used to confirm silencing and detected that the transcript levels of P. xylostella AChE2 (PxAChE2 were reduced by 5.7-fold compared to the control group. Consequently, AChE activity was also reduced by 1.7-fold. Finally, effects of the siRNAs on treated plants of Brassica oleracea and Brassica alboglabra were investigated with different siRNA doses. Our results showed that Si-ace2_001 had no negative effects on plant morphology, color and growth of vein under our experimental conditions. CONCLUSIONS: The most important finding of this study is the discovery that chemically synthesized and modified siRNA corresponding to P. xylostella AChE genes cause significant mortality of the insect both under laboratory and field conditions, which provides a novel strategy to control P

Chemical analysis of fish bile extracts for monitoring endocrine disrupting chemical exposure in water: Bisphenol A, alkylphenols, and norethindrone.

Science.gov (United States)

Wu, Minghong; Pan, Chenyuan; Yang, Ming; Xu, Bentuo; Lei, Xiangjie; Ma, Jing; Cai, Ling; Chen, Jingsi

2016-01-01

The present study determined concentrations of estrogenic bisphenol A (BPA), nonylphenol, octylphenol (4-tert-octylphenol), butylphenol (4-tert-butylphenol), and progestogenic norethindrone by liquid chromatography-tandem mass spectrometry in bile extracts from field fish from the Xin'an River and market fish in Shanghai, China. Compared with the field fish, endocrine disrupting chemical (EDC) concentrations in market fish bile were at relatively high levels with high detectable rates. The average concentrations of BPA, nonylphenol, 4-tert-octylphenol, 4-tert-butylphenol, and norethindrone in field fish bile were 30.1 µg/L, 203 µg/L, 4.69 µg/L, 7.84 µg/L, and 0.514 µg/L, respectively; in market fish bile they were 240 µg/L, 528 µg/L, 76.5 µg/L, 12.8 µg/L, and 5.26 µg/L, respectively; and in the surface water of Xin'an River they were 38.8 ng/L, 7.91 ng/L, 1.98 ng/L, 2.66 ng/L, and 0.116 ng/L, respectively. The average of total estrogenic activity of river water was 3.32 ng/L estradiol equivalents. High bioconcentration factors (BCFs) were discovered for all 5 EDCs (≧998-fold) in field fish bile. Furthermore, the authors analyzed the BCF value of BPA in fish bile after 30-d exposure to environmentally relevant concentrations of BPA in the laboratory, and the analysis revealed that BCF in fish bile (BCF(Fish bile)) changed in an inverse concentration-dependent manner based on the log10-transformed BPA concentration in water. Strikingly, the data from the field study were well fitted within this trend. The data together suggested that analysis of fish bile extracts could be an efficient method for assessing waterborne EDCs exposure for aquatic biota. © 2015 SETAC.

Coupling of Nuclear Waste Form Corrosion and Radionuclide Transports in Presence of Relevant Repository Sediments

International Nuclear Information System (INIS)

Wall, Nathalie A.; Neeway, James J.; Qafoku, Nikolla P.; Ryan, Joseph V.

2015-01-01

Assessments of waste form and disposal options start with the degradation of the waste forms and consequent mobilization of radionuclides. Long-term static tests, single-pass flow-through tests, and the pressurized unsaturated flow test are often employed to study the durability of potential waste forms and to help create models that predict their durability throughout the lifespan of the disposal site. These tests involve the corrosion of the material in the presence of various leachants, with different experimental designs yielding desired information about the behavior of the material. Though these tests have proved instrumental in elucidating various mechanisms responsible for material corrosion, the chemical environment to which the material is subject is often not representative of a potential radioactive waste repository where factors such as pH and leachant composition will be controlled by the near-field environment. Near-field materials include, but are not limited to, the original engineered barriers, their resulting corrosion products, backfill materials, and the natural host rock. For an accurate performance assessment of a nuclear waste repository, realistic waste corrosion experimental data ought to be modeled to allow for a better understanding of waste form corrosion mechanisms and the effect of immediate geochemical environment on these mechanisms. Additionally, the migration of radionuclides in the resulting chemical environment during and after waste form corrosion must be quantified and mechanisms responsible for migrations understood. The goal of this research was to understand the mechanisms responsible for waste form corrosion in the presence of relevant repository sediments to allow for accurate radionuclide migration quantifications. The rationale for this work is that a better understanding of waste form corrosion in relevant systems will enable increased reliance on waste form performance in repository environments and potentially

Coupling of Nuclear Waste Form Corrosion and Radionuclide Transports in Presence of Relevant Repository Sediments

Energy Technology Data Exchange (ETDEWEB)

Wall, Nathalie A. [Washington State Univ., Pullman, WA (United States); Neeway, James J. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Qafoku, Nikolla P. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Ryan, Joseph V. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2015-09-30

Assessments of waste form and disposal options start with the degradation of the waste forms and consequent mobilization of radionuclides. Long-term static tests, single-pass flow-through tests, and the pressurized unsaturated flow test are often employed to study the durability of potential waste forms and to help create models that predict their durability throughout the lifespan of the disposal site. These tests involve the corrosion of the material in the presence of various leachants, with different experimental designs yielding desired information about the behavior of the material. Though these tests have proved instrumental in elucidating various mechanisms responsible for material corrosion, the chemical environment to which the material is subject is often not representative of a potential radioactive waste repository where factors such as pH and leachant composition will be controlled by the near-field environment. Near-field materials include, but are not limited to, the original engineered barriers, their resulting corrosion products, backfill materials, and the natural host rock. For an accurate performance assessment of a nuclear waste repository, realistic waste corrosion experimental data ought to be modeled to allow for a better understanding of waste form corrosion mechanisms and the effect of immediate geochemical environment on these mechanisms. Additionally, the migration of radionuclides in the resulting chemical environment during and after waste form corrosion must be quantified and mechanisms responsible for migrations understood. The goal of this research was to understand the mechanisms responsible for waste form corrosion in the presence of relevant repository sediments to allow for accurate radionuclide migration quantifications. The rationale for this work is that a better understanding of waste form corrosion in relevant systems will enable increased reliance on waste form performance in repository environments and potentially

Survey and review of near-field performance assessment

International Nuclear Information System (INIS)

Apted, M.J.

1993-01-01

Chemical reactions control the performance, stability, and rate of degradation of natural and engineered barriers to waste repositories of the near field. Chemical processes are overviewed in this context. Temperature, and associated temperature gradients, are also important parameters in near-field performance assessment. The mechanical conditions of the near-field rock will be perturbed by construction of the underground repository. Mechanical analysis in the near field is further complicated by the introduction of HLW canisters and associated engineered barrier materials. Hydrological processes important to near-field performance include those associated with fluid transport. Considerable discussions and studies have been conducted on the issue of coupling among chemical-thermal-mechanical-hydrological processes; they are overviewed. (R.P.) 2 figs., 2 tabs

Climate-relevant monitorings in Germany

International Nuclear Information System (INIS)

Metternich, P.

1993-01-01

This catalogue contains so-called meta-data; i.e. information on data. For each measuring programme or set of data, users find the address (postal address, telephone, fax-number) of the respective contact person at the beginning of the entry. The catalogue has three parts: Part A is a compilation of monitoring programmes using conventional methods adopted on the ground. Part B contains research programmes or sets of data from the field of remote sensing. In part C, data sets from time series of climate-relevant parameters are described. Section A was additionally structured according so the compartments of the climate system: Atmosphere, hydrosphere, cryosphere, biosphere. (orig./KW) [de

On the marginally relevant operator in z=2 Lifshitz holography

International Nuclear Information System (INIS)

Holsheimer, Kristian

2014-01-01

We study holographic renormalization and RG flow in a strongly-coupled Lifshitz-type theory in 2+1 dimensions with dynamical exponent z=2. The bottom-up gravity dual we use is 3+1 dimensional Einstein gravity coupled to a massive vector field. This model contains a marginally relevant operator around the Lifshitz fixed point. We show how holographic renormalization works in the presence of this marginally relevant operator without the need to introduce explicitly cutoff-dependent counterterms. A simple closed-form expression is found for the renormalized on-shell action. We also discuss how asymptotically Lifshitz geometries flow to AdS in the interior due to the marginally relevant operator. We study the behavior of the renormalized entanglement entropy and confirm that it decreases monotonically along the Lifshitz-to-AdS RG flow

Relevance of Linear Stability Results to Enhanced Oil Recovery

Science.gov (United States)

Ding, Xueru; Daripa, Prabir

2012-11-01

How relevant can the results based on linear stability theory for any problem for that matter be to full scale simulation results? Put it differently, is the optimal design of a system based on linear stability results is optimal or even near optimal for the complex nonlinear system with certain objectives of interest in mind? We will address these issues in the context of enhanced oil recovery by chemical flooding. This will be based on an ongoing work. Supported by Qatar National Research Fund (a member of the Qatar Foundation).

New conducted electrical weapons: Electrical safety relative to relevant standards.

Science.gov (United States)

Panescu, Dorin; Nerheim, Max; Kroll, Mark W; Brave, Michael A

2017-07-01

We have previously published about TASER ® conducted electrical weapons (CEW) compliance with international standards. CEWs deliver electrical pulses that can inhibit a person's neuromuscular control or temporarily incapacitate. An eXperimental Rotating-Field (XRF) waveform CEW and the X2 CEW are new 2-shot electrical weapon models designed to target a precise amount of delivered charge per pulse. They both can deploy 1 or 2 dart pairs, delivered by 2 separate cartridges. Additionally, the XRF controls delivery of incapacitating pulses over 4 field vectors, in a rotating sequence. As in our previous study, we were motivated by the need to understand the cardiac safety profile of these new CEWs. The goal of this paper is to analyze the nominal electrical outputs of TASER XRF and X2 CEWs in reference to provisions of all relevant international standards that specify safety requirements for electrical medical devices and electrical fences. Although these standards do not specifically mention CEWs, they are the closest electrical safety standards and hence give very relevant guidance. The outputs of several TASER XRF and X2 CEWs were measured under normal operating conditions. The measurements were compared against manufacturer specifications. CEWs electrical output parameters were reviewed against relevant safety requirements of UL 69, IEC 60335-2-76 Ed 2.1, IEC 60479-1, IEC 60479-2, AS/NZS 60479.1, AS/NZS 60479.2, IEC 60601-1 and BS EN 60601-1. Our study confirmed that the nominal electrical outputs of TASER XRF and X2 CEWs lie within safety bounds specified by relevant standards.

Recent developments in chemical treatment of roughages and their relevance to animal production in developing countries

International Nuclear Information System (INIS)

Owen, E.

1989-01-01

Recent research in developed regions, at laboratory level, has investigated acids, amines and the oxidizing agents sulphur dioxide, ozone and alkaline hydrogen peroxide as reagents for upgrading roughages. In vivo experiments with sheep show improvements in digestibility from treating with 40 g SO 2 per kg wheat straw DM for 3 d at 70 deg. C, comparable to responses normally gained by treating with NaOH. Alkaline H 2 O 2 (pH11.5) treatment in one study increased wheat straw DM digestibility in sheep fed ad libitum, from 467 to 659 g/kg. However this treatment used large inputs (260 g H 2 O 2 and 180 g NaOH/kg straw DM in 26 L solution for 16 h, followed by drying); subsequent studies showed possible input reductions. The techniques are not relevant for use in developing countries except possibly at centralized processing plants, but greater commercial viability will need to be demonstrated before then. The NaOH dip method is the most effective current, low technology upgrading technique and is capable of further development to produce treated roughage of improved digestibility and optimum content of N and required minerals. There are no major new developments in urea ammonia treatment. The recent 'AGRI-AM' method produces NH 3 by hydrating a mixture of CaO and (NH 4 ) 2 SO 4 fertilizers, but the method requires much chemical input. 'Ensiling' barley straw for 60 d with 60 g Ca(OH) 2 and 30 g urea per kg straw DM improves intake and digestibility in sheep, with little loss of N from the system. This is due to reduced urea hydrolysis caused by high pH. Other research shows that the quantity of straw needing to be treated can be halved by allowing goats (or sheep) to 'graze' untreated straw (to allow 50% refusals) followed by treatment and refeeding. 92 refs, 11 tabs

Board on chemical sciences and technology

International Nuclear Information System (INIS)

1991-01-01

The Board on Chemical Sciences and Technology organizes and provides direction for standing and ad-hoc committees charged with addressing specific issues relevant to the continued health of the chemical sciences and technology community. Studies currently under the oversight of the BCST include a major survey of the chemical sciences, a complementary survey of chemical engineering, an examination of the problems of biohazards in the laboratory, and an analysis of the roots and magnitude of the problem of obsolescent facilities for research and teaching in departments in the chemical sciences and engineering. The Board continues to respond to specific agency requests for program assessments and advice. BCST members are designated to serve as liaison with major federal agencies or departments that support research in order to help identify ways for the Board to assist these organizations. The BCST maintains close contact with professional societies and non-governmental organizations that share the Board's concern for the health of chemical sciences and technology. Individual Board members are assigned responsibility for liaison with the American Chemical Society, the American Institute of Chemical Engineers, the American Society of Biological Chemists, the Council for Chemical Research, the NAS Chemistry and Biochemistry Sections, and the National Academy of Engineering. In the past few years, the Board has served as a focus and a forum for a variety of issues that relate specifically to the health of chemistry

Field-relevant doses of the systemic insecticide fipronil and fungicide pyraclostrobin impair mandibular and hypopharyngeal glands in nurse honeybees (Apis mellifera).

Science.gov (United States)

Zaluski, Rodrigo; Justulin, Luis Antonio; Orsi, Ricardo de Oliveira

2017-11-09

Global decreases in bee populations emphasize the importance of assessing how environmental stressors affect colony maintenance, especially considering the extreme task specialization observed in honeybee societies. Royal jelly, a protein secretion essential to colony nutrition, is produced by nurse honeybees, and development of bee mandibular glands, which comprise a reservoir surrounded by secretory cells and hypopharyngeal glands that are shaped by acini, is directly associated with production of this secretion. Here, we examined individual and combined effects of the systemic fungicide pyraclostrobin and insecticide fipronil in field-relevant doses (850 and 2.5 ppb, respectively) on mandibular and hypopharyngeal glands in nurse honeybees. Six days of pesticide treatment decreased secretory cell height in mandibular glands. When pyraclostrobin and fipronil were combined, the reservoir volume in mandibular glands also decreased. The total number of acini in hypopharyngeal glands was not affected, but pesticide treatment reduced the number of larger acini while increasing smaller acini. These morphological impairments appeared to reduce royal jelly secretion by nurse honeybees and consequently hampered colony maintenance. Overall, pesticide exposure in doses close to those experienced by bees in the field impaired brood-food glands in nurse honeybees, a change that could negatively influence development, survival, and colony maintenance.

Mathematical study of chemical kinetics schemes. Application to air pollution models; Etude mathematique de schemas de cinetique chimique. Application a des modeles de pollution atmospherique

Energy Technology Data Exchange (ETDEWEB)

Billette, E.

1997-06-23

Complex chemical kinetics modelling is relevant in numerous fields related to the petroleum industry, for instance engine combustion, petrochemistry and atmospheric pollution. Many numerical difficulties are encountered in the computation of these models, mainly due to the large size, the non-linearity and the stiffness of the associated ordinary differential systems. We first studied systems that have an asymptotic behaviour which may be derived from an algebraic analysis. Then we reviewed different methods that make possible the reduction of size and stiffness for chemical kinetics-related differential systems, and suggest possible improvements for some of those methods. We also studied their application to atmospheric chemistry models. Finally, we started to extend those reduction methods to partial differential systems that include, in addition to chemical kinetics, other phenomena such as species emission, advection or diffusion. (author) 44 refs.

Annual Report 2000. Chemical Structure and Dynamics; FINAL

International Nuclear Information System (INIS)

Colson, Steve D; McDowell, Rod S

2001-01-01

This annual report describes the research and accomplishments of the Chemical Structure and Dynamics Program in the year 2000, one of six research programs at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) - a multidisciplinary, national scientific user facility and research organization. The Chemical Structure and Dynamics (CS and D) program is meeting the need for a fundamental, molecular-level understanding by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes relevant to environmental chemistry; and (3) developing state-of-the-art research and analytical methods for characterizing complex materials of the types found in natural and contaminated systems

Capture of Nontarget Flies (Diptera: Lauxaniidae, Chloropidae, and Anthomyiidae on Traps Baited with Volatile Chemicals in Field-Crop Habitats

Directory of Open Access Journals (Sweden)

Louis S. Hesler

2016-01-01

Full Text Available Volatile chemicals increased trap catch of flies from the families Lauxaniidae [Homoneura bispina (Loew and Camptoprosopella borealis Shewell], Chloropidae (Olcella sp., and Anthomyiidae (Delia spp. in field crops. With lauxaniids, baiting with 2-phenylethanol on cotton-roll dispensers increased catch of H. bispina in two corn plot tests, and methyl salicylate increased trap catch in one test. Traps baited with methyl salicylate increased the catch of C. borealis. When using plastic-sachet dispensers, traps baited with methyl salicylate caught more H. bispina than ones baited with 2-phenylethanol, whereas traps baited with 2-phenylethanol caught more C. borealis than those with methyl salicylate. For chloropids, traps baited with 2-isopropyl-3-methoxypyrazine greatly increased catch of Olcella flies in corn and soybean. With anthomyiids, catch of male Delia flies in wheat increased with 2-phenylethanol on cotton rolls and with either 2-phenylethanol or methyl salicylate using plastic dispensers. In soybean, 2-phenylethanol formulated on cotton rolls or in plastic dispensers increased catch of male Delia flies, but methyl salicylate did not affect trap catch. Trap catch of female Delia flies did not vary among chemicals. In another test in soybean, trap catch of both male and female Delia flies was greater with 2-phenylethanol than with other volatile chemicals.

16. International oil field chemistry symposium

International Nuclear Information System (INIS)

2006-03-01

The symposium deals with topics on well chemicals, petrochemicals, well injection fluids, reservoir describing methods, reservoir exploitation enhancing chemicals, corrosion inhibitors, production methods and chemical aspects of maintenance, multiphase flow and reservoir geochemistry. The environmental effects of the chemicals and preservation of the environment is also focussed on. Some aspects of decommissioning of oil fields are dealt with

Proceedings of 20. Symposium of Malaysian Chemical Engineers (SOMChE 2006)

International Nuclear Information System (INIS)

2006-12-01

The objective of the symposium is to provide a platform for participants and relevant chemical engineering community to meet and encourage expertise and knowledge sharing and to allow recent chemical engineering research and innovation works to be properly documented, displayed and made known to interested parties. The subjects discussed are advanced material modeling and simulation bioprocess, catalysis, chemical engineering education (outcome-based education), computational fluid dynamics, drying technology, energy, environment, fine chemicals, food engineering, oil and gas, oleochemical, particle technology, petrochemical, pharmaceutical engineering, polymer technology, process control, process system, engineering, reaction engineering, renewable energy, separation

Cementitious Near-Field Sorption Data Base for Performance Assessment of an ILW Repository in Opalinus Clay

Energy Technology Data Exchange (ETDEWEB)

Wieland, E.; Van Loon, L. R

2003-08-01

The present report describes a cement sorption database (SDB) for the safety-relevant radionuclides to be disposed of in the planned Swiss repository for long-lived intermediate-level radioactive wastes (ILW). This report is an update on earlier SDBs, which were compiled for the cementitious near field of a repository for low- and intermediate-level radioactive wastes (L/ILW) by BRADBURY + SAROTT (1995) and BRADBURY + VAN LOON (1998). The radionuclide inventories are determined by the waste streams to be disposed of in the ILW repository. A list of the safety-relevant radionuclides was provided based on the currently available information on ILW inventories. The compositions of the cement porewaters in the near fields of the L/ILW and ILW repositories, which had been calculated using well-established codes for modelling cement degradation, were compared to identify any differences in the near-field conditions and to assess their influence on radionuclide sorption. Sorption values were selected based on the previously reported SDBs for the near field of the L/ILW repository. Sorption values were revised if new information and/or data were available which allowed changes to or re-appraisals of the data to be made. The sorption values recommended in this report were either selected on the basis of data from in-house experimental studies or from literature data. For some key radioelements, i.e., Cs(l), Sr(II), Ni(II), Eu(lll), Th(IV) and Sn(IV), new data were available from in-house measurements. These elements had been selected for experimental studies due to their relevance to safety assessment and/or their importance as appropriate chemical analogues. Degradation products of bitumen and cellulose, concrete admixtures and cement-derived near-field colloids were taken into account as the main potential perturbations, which could reduce radionuclide sorption in the near field. Possible impacts of the perturbing factors on radionuclide mobility were considered and

Microbial, physical and chemical properties of irrigation water in rice fields of Southern Brazil

Directory of Open Access Journals (Sweden)

MARIA HELENA L.R. RECHE

2016-03-01

Full Text Available ABSTRACT This paper presents the results of the statistical analysis of microbiological, physical and chemical parameters related to the quality of the water used in rice fields in Southern Brazil. Data were collected during three consecutive crop years, within structure of a comprehensive monitoring program. The indicators used were: potential hydrogen, electrical conductivity, turbidity, nitrogen, phosphorus, potassium, calcium, total and fecal coliforms. Principal Component and Discriminant Analysis showed consistent differences between the water irrigation and drainage, as the temporal variation demonstrated a clear reduction in the concentration of most of the variables analyzed. The pattern of this reduction is not the same in the two regions - that is, the importance of each of the different variables in the observed differentiation is modified in two locations. These results suggested that the variations in the water quality utilized for rice irrigation was influenced by certain specific aspects of each rice region in South Brazilian - such as anthropic action or soil/climate conditions in each hydrographic basin.

An expanded conceptual framework for solution-focused management of chemical pollution in European waters.

Science.gov (United States)

Munthe, John; Brorström-Lundén, Eva; Rahmberg, Magnus; Posthuma, Leo; Altenburger, Rolf; Brack, Werner; Bunke, Dirk; Engelen, Guy; Gawlik, Bernd Manfred; van Gils, Jos; Herráez, David López; Rydberg, Tomas; Slobodnik, Jaroslav; van Wezel, Annemarie

2017-01-01

This paper describes a conceptual framework for solutions-focused management of chemical contaminants built on novel and systematic approaches for identifying, quantifying and reducing risks of these substances. The conceptual framework was developed in interaction with stakeholders representing relevant authorities and organisations responsible for managing environmental quality of water bodies. Stakeholder needs were compiled via a survey and dialogue. The content of the conceptual framework was thereafter developed with inputs from relevant scientific disciplines. The conceptual framework consists of four access points: Chemicals, Environment, Abatement and Society, representing different aspects and approaches to engaging in the issue of chemical contamination of surface waters. It widens the scope for assessment and management of chemicals in comparison to a traditional (mostly) perchemical risk assessment approaches by including abatement- and societal approaches as optional solutions. The solution-focused approach implies an identification of abatement- and policy options upfront in the risk assessment process. The conceptual framework was designed for use in current and future chemical pollution assessments for the aquatic environment, including the specific challenges encountered in prioritising individual chemicals and mixtures, and is applicable for the development of approaches for safe chemical management in a broader sense. The four access points of the conceptual framework are interlinked by four key topics representing the main scientific challenges that need to be addressed, i.e.: identifying and prioritising hazardous chemicals at different scales; selecting relevant and efficient abatement options; providing regulatory support for chemicals management; predicting and prioritising future chemical risks. The conceptual framework aligns current challenges in the safe production and use of chemicals. The current state of knowledge and implementation

Human exposure assessment to environmental chemicals using biomonitoring.

Science.gov (United States)

Calafat, Antonia M; Ye, Xiaoyun; Silva, Manori J; Kuklenyik, Zsuzsanna; Needham, Larry L

2006-02-01

In modern societies, humans may be exposed to a wide spectrum of environmental chemicals. Although the health significance of this exposure for many chemicals is unknown, studies to investigate the prevalence of exposure are warranted because of the chemicals' potential harmful health effects, as often indicated in animal studies. Three tools have been used to assess exposure: exposure history/questionnaire information, environmental monitoring, and biomonitoring (i.e. measuring concentrations of the chemicals, their metabolites, or their adducts in human specimens). We present an overview on the use of biomonitoring in exposure assessment using phthalates, bisphenol A and other environmental phenols, and perfluorinated chemicals as examples. We discuss some factors relevant for interpreting and understanding biomonitoring data, including selection of both biomarkers of exposure and human matrices, and toxicokinetic information. The use of biomonitoring in human risk assessment is not discussed.

Chemical evolutionary games.

Science.gov (United States)

Aristotelous, Andreas C; Durrett, Richard

2014-05-01

Inspired by the use of hybrid cellular automata in modeling cancer, we introduce a generalization of evolutionary games in which cells produce and absorb chemicals, and the chemical concentrations dictate the death rates of cells and their fitnesses. Our long term aim is to understand how the details of the interactions in a system with n species and m chemicals translate into the qualitative behavior of the system. Here, we study two simple 2×2 games with two chemicals and revisit the two and three species versions of the one chemical colicin system studied earlier by Durrett and Levin (1997). We find that in the 2×2 examples, the behavior of our new spatial model can be predicted from that of the mean field differential equation using ideas of Durrett and Levin (1994). However, in the three species colicin model, the system with diffusion does not have the coexistence which occurs in the lattices model in which sites interact with only their nearest neighbors. Copyright © 2014 Elsevier Inc. All rights reserved.

A Study of Novice Science Teachers' Conceptualizations of Culturally Relevant Pedagogy

Science.gov (United States)

Redman, Elizabeth Horst

This qualitative study examined new science teachers' conceptualization of culturally relevant pedagogy (CRP). The study followed six novice science teachers from their preservice teaching placements into their first jobs as instructors of record, observing in their classrooms and interviewing them about their use of CRP. The study sought to understand (1) how the participating teachers conceptualize CRP in science, and (2) what challenges the teachers faced in trying to implement CRP. Findings suggest that the teachers conceptualized CRP in ways that were consistent with Enyedy, Danish and Fields' (2011) interpretations of relevance: relevance of authentic purpose, relevance of content and/or context, and relevance of practices. The teachers, however, translated those interpretations of relevance into their conceptualizations and classroom practice in a variety of ways. While they encountered difficulties in conceptualizing and practicing CRP, they also made productive moves in their practice and evidenced positive elements in their conceptualizations of CRP. In order to address the challenges these teachers faced in implementing CRP, I suggest an approach to teacher preparation in CRP that builds upon the understandings and productive moves the teachers evidenced in this study.

A novel approach: chemical relational databases, and the role of the ISSCAN database on assessing chemical carcinogenicity.

Science.gov (United States)

Benigni, Romualdo; Bossa, Cecilia; Richard, Ann M; Yang, Chihae

2008-01-01

Mutagenicity and carcinogenicity databases are crucial resources for toxicologists and regulators involved in chemicals risk assessment. Until recently, existing public toxicity databases have been constructed primarily as "look-up-tables" of existing data, and most often did not contain chemical structures. Concepts and technologies originated from the structure-activity relationships science have provided powerful tools to create new types of databases, where the effective linkage of chemical toxicity with chemical structure can facilitate and greatly enhance data gathering and hypothesis generation, by permitting: a) exploration across both chemical and biological domains; and b) structure-searchability through the data. This paper reviews the main public databases, together with the progress in the field of chemical relational databases, and presents the ISSCAN database on experimental chemical carcinogens.

Laboratory and Field Testing of Commercially Available Detectors for the Identification of Chemicals of Interest in the Nuclear Fuel Cycle for the Detection of Undeclared Activities

Energy Technology Data Exchange (ETDEWEB)

Carla Miller; Mary Adamic; Stacey Barker; Barry Siskind; Joe Brady; Warren Stern; Heidi Smartt; Mike McDaniel; Mike Stern; Rollin Lakis

2014-07-01

then identified commercial off the shelf (COTS) chemical detectors that may detect the chemicals of interest. Three chemical detectors were selected and tested both in laboratory settings and in field operations settings at Idaho National Laboratory. The instruments selected are: Thermo Scientific TruDefender FT (FTIR), Thermo Scientific FirstDefender RM (Raman), and Bruker Tracer III SD (XRF). Functional specifications, operability, and chemical detectability, selectivity, and limits of detection were determined. Results from the laboratory and field tests will be presented. This work is supported by the Next Generation Safeguards Initiative, Office of Nonproliferation and International Security, National Nuclear Security Administration.

Extraction tools for identification of chemical contaminants in estuarine and coastal waters to determine toxic pressure on primary producers.

Science.gov (United States)

Booij, Petra; Sjollema, Sascha B; Leonards, Pim E G; de Voogt, Pim; Stroomberg, Gerard J; Vethaak, A Dick; Lamoree, Marja H

2013-09-01

The extent to which chemical stressors affect primary producers in estuarine and coastal waters is largely unknown. However, given the large number of legacy pollutants and chemicals of emerging concern present in the environment, this is an important and relevant issue that requires further study. The purpose of our study was to extract and identify compounds which are inhibitors of photosystem II activity in microalgae from estuarine and coastal waters. Field sampling was conducted in the Western Scheldt estuary (Hansweert, The Netherlands). We compared four different commonly used extraction methods: passive sampling with silicone rubber sheets, polar organic integrative samplers (POCIS) and spot water sampling using two different solid phase extraction (SPE) cartridges. Toxic effects of extracts prepared from spot water samples and passive samplers were determined in the Pulse Amplitude Modulation (PAM) fluorometry bioassay. With target chemical analysis using LC-MS and GC-MS, a set of PAHs, PCBs and pesticides was determined in field samples. These compound classes are listed as priority substances for the marine environment by the OSPAR convention. In addition, recovery experiments with both SPE cartridges were performed to evaluate the extraction suitability of these methods. Passive sampling using silicone rubber sheets and POCIS can be applied to determine compounds with different structures and polarities for further identification and determination of toxic pressure on primary producers. The added value of SPE lies in its suitability for quantitative analysis; calibration of passive samplers still needs further investigation for quantification of field concentrations of contaminants. Copyright © 2013 Elsevier Ltd. All rights reserved.

Developmental Testing of Liquid and Gaseous/Vaporous Decontamination on Bacterial Spores and Other Biological Warfare Agents on Military Relevant Surfaces

Science.gov (United States)

2016-02-11

Vaporous Decontamination on Bacterial Spores and Other Biological Warfare Agents on Military-Relevant Surfaces 5a. CONTRACT NUMBER 5b. GRANT... DECONTAMINATION ON BACTERIAL SPORES AND OTHER BIOLOGICAL WARFARE AGENTS ON MILITARY-RELEVANT SURFACES Page Paragraph 1. SCOPE...surfaces before and after decontamination . The protocol in this TOP is based on the developed test methodologies from Edgewood Chemical Biological

Micro algae to obtain chemical products. Las microalgas como fuente de productos quimicos

Energy Technology Data Exchange (ETDEWEB)

Martinez, M.E.; Molina, E.; Garcia, F. (Departamento de Ingenieria Quimica. Facultad de Ciencias. Universidad de Granada. Granada (Spain))

1994-01-01

The aim of this paper is to show the relevance of micro algae biomass production to obtain chemicals of industrial application. The chemicals are classified in: lipids, pigments, colloids, glycerol and others, it emphasizes the culture conditions that mainly induce the synthesis of these compounds.

Lower hybrid current drive at ITER-relevant high plasma densities

International Nuclear Information System (INIS)

Cesario, R.; Amicucci, L.; Cardinali, A.; Castaldo, C.; Marinucci, M.; Panaccione, L.; Pericoli-Ridolfini, V.; Tuccillo, A. A.; Tudisco, O.; Calabro, G.

2009-01-01

Recent experiments indicated that a further non-inductive current, besides bootstrap, should be necessary for developing advanced scenario for ITER. The lower hybrid current drive (LHCD) should provide such tool, but its effectiveness was still not proved in operations with ITER-relevant density of the plasma column periphery. Progress of the LH deposition modelling is presented, performed considering the wave physics of the edge, and different ITER-relevant edge parameters. Operations with relatively high edge electron temperatures are expected to reduce the LH || spectral broadening and, consequently, enabling the LH power to propagate also in high density plasmas ( || is the wavenumber component aligned to the confinement magnetic field). New results of FTU experiments are presented, performed by following the aforementioned modeling: they indicate that, for the first time, the LHCD conditions are established by operating at ITER-relevant high edge densities.

Experimental Models of Vaginal Candidiasis and Their Relevance to Human Candidiasis

Science.gov (United States)

Sobel, Jack D.

2016-01-01

Vulvovaginal candidiasis (VVC) is a high-incidence disease seriously affecting the quality of life of women worldwide, particularly in its chronic, recurrent forms (RVVC), and with no definitive cure or preventive measure. Experimental studies in currently used rat and mouse models of vaginal candidiasis have generated a large mass of data on pathogenicity determinants and inflammation and immune responses of potential importance for the control of human pathology. However, reflection is necessary about the relevance of these rodent models to RVVC. Here we examine the chemical, biochemical, and biological factors that determine or contrast the forms of the disease in rodent models and in women and highlight the differences between them. We also appeal for approaches to improve or replace the current models in order to enhance their relevance to human infection. PMID:26883592

Role of knowledge based engineering in Heavy Water Plants and its relevance to chemical industry

International Nuclear Information System (INIS)

Sonde, R.R.

2002-01-01

The development of heavy water technology under the Department of Atomic Energy in India is carried out based on a mission oriented programme and this was backed up by a committed and highly trained manpower with a single minded pursuit to achieve the goal of making India self-sufficient in this challenging area. The paper gives step by step methodology followed in completion of the above mission which has become a benchmark in the chemical industry. A large sized chemical industry (Heavy Water plant being once such industry) has many features which are similar. The process design typically includes design of reactors, distillation columns, heat exchange networks, fluid transfer machinery, support utility systems etc. Besides, there are other issues like safety engineering, selection of materials, commissioning strategies and operating philosophies which are quite common to almost all chemical industries. Heavy water board has engineered and set up large scale heavy water plants and the technology for production of heavy water is completely assimilated in India and this paper tries to bring about some of the strategies which were instrumental in achieving this. The story of success in this technology can most certainly be followed in development of any other process technology. The important factors in the development of this technology is based on integration of R and D, process design, engineering backup, safety features, role of good construction and project management and good operating practices. One more important fact in this technology development is continuous improvement in operation and use of knowledge based engineering for debottlenecking. (author)

Positron radiography of ignition-relevant ICF capsules

Science.gov (United States)

Williams, G. J.; Chen, Hui; Field, J. E.; Landen, O. L.; Strozzi, D. J.

2017-12-01

Laser-generated positrons are evaluated as a probe source to radiograph in-flight ignition-relevant inertial confinement fusion capsules. Current ultraintense laser facilities are capable of producing 2 × 1012 relativistic positrons in a narrow energy bandwidth and short time duration. Monte Carlo simulations suggest that the unique characteristics of such positrons allow for the reconstruction of both capsule shell radius and areal density between 0.002 and 2 g/cm2. The energy-downshifted positron spectrum and angular scattering of the source particles are sufficient to constrain the conditions of the capsule between preshot and stagnation. We evaluate the effects of magnetic fields near the capsule surface using analytic estimates where it is shown that this diagnostic can tolerate line integrated field strengths of 100 T mm.

Other relevant papers in physical oceanography

International Nuclear Information System (INIS)

Nyffeler, F.

1989-01-01

During the past few years, significant progress has occurred in the field of physical oceanography partly as a consequence of developing cooperation and international participation in well-coordinated ocean research programmes. Although these programs were not designed specifically to address CRESP problems, many have proved to be directly relevant to CRESP objectives. For example, MODE, POLYMODE, and Tourbillon were intensive site-specific experiments that included studies of dispersion processes throughout the water column. NOAMP and GME were also site specific, involved the entire water column, and even stressed near-bottom and suspended-sediment processes. Others, (e.g., WOCE) are larger in scope and include extensive observations of the general circulation of entire ocean basins. As a whole, they contribute immensely to improving the data base for exchange and transport processes and thereby for the verification and validation of both regional-scale and general-circulation ocean models. That, in turn, is directly relevant to radiological assessments. Selected papers deriving from experiments such as these are discussed and referenced below

Chemical Compounds Toxic to Invertebrates Isolated from Marine Cyanobacteria of Potential Relevance to the Agricultural Industry

KAUST Repository

Essack, Magbubah

2014-10-29

In spite of advances in invertebrate pest management, the agricultural industry is suffering from impeded pest control exacerbated by global climate changes that have altered rain patterns to favour opportunistic breeding. Thus, novel naturally derived chemical compounds toxic to both terrestrial and aquatic invertebrates are of interest, as potential pesticides. In this regard, marine cyanobacterium-derived metabolites that are toxic to both terrestrial and aquatic invertebrates continue to be a promising, but neglected, source of potential pesticides. A PubMed query combined with hand-curation of the information from retrieved articles allowed for the identification of 36 cyanobacteria-derived chemical compounds experimentally confirmed as being toxic to invertebrates. These compounds are discussed in this review.

Chemical Compounds Toxic to Invertebrates Isolated from Marine Cyanobacteria of Potential Relevance to the Agricultural Industry

KAUST Repository

Essack, Magbubah; Alzubaidy, Hanin S.; Bajic, Vladimir B.; Archer, John A.C.

2014-01-01

In spite of advances in invertebrate pest management, the agricultural industry is suffering from impeded pest control exacerbated by global climate changes that have altered rain patterns to favour opportunistic breeding. Thus, novel naturally derived chemical compounds toxic to both terrestrial and aquatic invertebrates are of interest, as potential pesticides. In this regard, marine cyanobacterium-derived metabolites that are toxic to both terrestrial and aquatic invertebrates continue to be a promising, but neglected, source of potential pesticides. A PubMed query combined with hand-curation of the information from retrieved articles allowed for the identification of 36 cyanobacteria-derived chemical compounds experimentally confirmed as being toxic to invertebrates. These compounds are discussed in this review.

Chemical Compounds Toxic to Invertebrates Isolated from Marine Cyanobacteria of Potential Relevance to the Agricultural Industry

Science.gov (United States)

Essack, Magbubah; Alzubaidy, Hanin S.; Bajic, Vladimir B.; Archer, John A. C.

2014-01-01

In spite of advances in invertebrate pest management, the agricultural industry is suffering from impeded pest control exacerbated by global climate changes that have altered rain patterns to favour opportunistic breeding. Thus, novel naturally derived chemical compounds toxic to both terrestrial and aquatic invertebrates are of interest, as potential pesticides. In this regard, marine cyanobacterium-derived metabolites that are toxic to both terrestrial and aquatic invertebrates continue to be a promising, but neglected, source of potential pesticides. A PubMed query combined with hand-curation of the information from retrieved articles allowed for the identification of 36 cyanobacteria-derived chemical compounds experimentally confirmed as being toxic to invertebrates. These compounds are discussed in this review. PMID:25356733

Open Innovation Drug Discovery (OIDD): a potential path to novel therapeutic chemical space.

Science.gov (United States)

Alvim-Gaston, Maria; Grese, Timothy; Mahoui, Abdelaziz; Palkowitz, Alan D; Pineiro-Nunez, Marta; Watson, Ian

2014-01-01

The continued development of computational and synthetic methods has enabled the enumeration or preparation of a nearly endless universe of chemical structures. Nevertheless, the ability of this chemical universe to deliver small molecules that can both modulate biological targets and have drug-like physicochemical properties continues to be a topic of interest to the pharmaceutical industry and academic researchers alike. The chemical space described by public, commercial, in-house and virtual compound collections has been interrogated by multiple approaches including biochemical, cellular and virtual screening, diversity analysis, and in-silico profiling. However, current drugs and known chemical probes derived from these efforts are contained within a remarkably small volume of the predicted chemical space. Access to more diverse classes of chemical scaffolds that maintain the properties relevant for drug discovery is certainly needed to meet the increasing demands for pharmaceutical innovation. The Lilly Open Innovation Drug Discovery platform (OIDD) was designed to tackle barriers to innovation through the identification of novel molecules active in relevant disease biology models. In this article we will discuss several computational approaches towards describing novel, biologically active, drug-like chemical space and illustrate how the OIDD program may facilitate access to previously untapped molecules that may aid in the search for innovative pharmaceuticals.

Flows and chemical reactions in homogeneous mixtures

CERN Document Server

Prud'homme, Roger

2013-01-01

Flows with chemical reactions can occur in various fields such as combustion, process engineering, aeronautics, the atmospheric environment and aquatics. The examples of application chosen in this book mainly concern homogeneous reactive mixtures that can occur in propellers within the fields of process engineering and combustion: - propagation of sound and monodimensional flows in nozzles, which may include disequilibria of the internal modes of the energy of molecules; - ideal chemical reactors, stabilization of their steady operation points in the homogeneous case of a perfect mixture and c

Final Report: Laser-Material Interactions Relevant to Analytic Spectroscopy of Wide Band Gap Materials

Energy Technology Data Exchange (ETDEWEB)

Dickinson, J. Thomas [Washington State Univ., Pullman, WA (United States)

2014-04-05

We summarize our studies aimed at developing an understanding of the underlying physics and chemistry in terms of laser materials interactions relevant to laser-based sampling and chemical analysis of wide bandgap materials. This work focused on the determination of mechanisms for the emission of electrons, ions, atoms, and molecules from laser irradiation of surfaces. We determined the important role of defects on these emissions, the thermal, chemical, and physical interactions responsible for matrix effects and mass-dependent transport/detection. This work supported development of new techniques and technology for the determination of trace elements contained such as nuclear waste materials.

Analysis Of Convective Plane Stagnation Point Chemically Reactive Mhd Flow Past A Vertical Porous Plate With A Convective Boundary Condition In The Presence Of A Uniform Magnetic Field.

OpenAIRE

Adeniyan, A.,

2013-01-01

The numerical investigation of a stagnation point boundary layer flow , mass and heat transfer of a steady two dimensional , incompressible , viscous electrically conducting, chemically reacting laminar fluid over a vertical convectively heated , electrically neutral flat plate exposed to a transverse uniform magnetic field has been carried out to examine the influence of the simultaneous presence of the effects of a convective boundary condition, chemical reaction, heat transfer and suctio...

Sample preparation for combined chemical analysis and bioassay application in water quality assessment

NARCIS (Netherlands)

Kolkman, A.; Schriks, M.; Brand, W; Bäuerlein, P.S.; van der Kooi, M.M.E.; van Doorn, R.H.; Emke, E.; Reus, A.; van der Linden, S.; de Voogt, P.; Heringa, M.B.

2013-01-01

The combination of in vitro bioassays and chemical screening can provide a powerful toolbox to determine biologically relevant compounds in water extracts. In this study, a sample preparation method is evaluated for the suitability for both chemical analysis and in vitro bioassays. A set of 39

Field evaluation of a new particle concentrator- electrostatic precipitator system for measuring chemical and toxicological properties of particulate matter

Directory of Open Access Journals (Sweden)

Pakbin Payam

2008-11-01

Full Text Available Abstract Background A newly designed electrostatic precipitator (ESP in tandem with Versatile Aerosol Concentration Enrichment System (VACES was developed by the University of Southern California to collect ambient aerosols on substrates appropriate for chemical and toxicological analysis. The laboratory evaluation of this sampler is described in a previous paper. The main objective of this study was to evaluate the performance of the new VACES-ESP system in the field by comparing the chemical characteristics of the PM collected in the ESP to those of reference samplers operating in parallel. Results The field campaign was carried out in the period from August, 2007 to March, 2008 in a typical urban environment near downtown Los Angeles. Each sampling set was restricted to 2–3 hours to minimize possible sampling artifacts in the ESP. The results showed that particle penetration increases and ozone concentration decreases with increasing sampling flow rate, with highest particle penetration observed between 100 nm and 300 nm. A reference filter sampler was deployed in parallel to the ESP to collect concentration-enriched aerosols, and a MOUDI sampler was used to collect ambient aerosols. Chemical analysis results showed very good agreement between the ESP and MOUDI samplers in the concentrations of trace elements and inorganic ions. The overall organic compound content of PM collected by the ESP, including polycyclic aromatic hydrocarbons (PAHs, hopanes, steranes, and alkanes, was in good agreement with that of the reference sampler, with an average ESP -to -reference concentration ratio of 1.07 (± 0.38. While majority of organic compound ratios were close to 1, some of the semi-volatile organic species had slightly deviated ratios from 1, indicating the possibility of some sampling artifacts in the ESP due to reactions of PM with ozone and radicals generated from corona discharge, although positive and negative sampling artifacts in the

Atmospheric parameters and chemical properties of red giants in the CoRoT asteroseismology fields

Science.gov (United States)

Morel, T.; Miglio, A.; Lagarde, N.; Montalbán, J.; Rainer, M.; Poretti, E.; Eggenberger, P.; Hekker, S.; Kallinger, T.; Mosser, B.; Valentini, M.; Carrier, F.; Hareter, M.; Mantegazza, L.

2014-04-01

A precise characterisation of the red giants in the seismology fields of the CoRoT satellite is a prerequisite for further in-depth seismic modelling. High-resolution FEROS and HARPS spectra were obtained as part of the ground-based follow-up campaigns for 19 targets holding great asteroseismic potential. These data are used to accurately estimate their fundamental parameters and the abundances of 16 chemical species in a self-consistent manner. Some powerful probes of mixing are investigated (the Li and CNO abundances, as well as the carbon isotopic ratio in a few cases). The information provided by the spectroscopic and seismic data is combined to provide more accurate physical parameters and abundances. The stars in our sample follow the general abundance trends as a function of the metallicity observed in stars of the Galactic disk. After an allowance is made for the chemical evolution of the interstellar medium, the observational signature of internal mixing phenomena is revealed through the detection at the stellar surface of the products of the CN cycle. A contamination by NeNa-cycled material in the most massive stars is also discussed. With the asteroseismic constraints, these data will pave the way for a detailed theoretical investigation of the physical processes responsible for the transport of chemical elements in evolved, low- and intermediate-mass stars. Based on observations collected at La Silla Observatory, ESO (Chile) with the FEROS and HARPS spectrograph at the 2.2 and 3.6-m telescopes under programs LP178.D-0361, LP182.D-0356, and LP185.D-0056.Appendix A is available in electronic form at http://www.aanda.orgTables A.2 to A.6 are available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (ftp://130.79.128.5) or via http://cdsarc.u-strasbg.fr/viz-bin/qcat?J/A+A/564/A119

Polymorphisms in drug-metabolizing enzymes: What is their clinical relevance and why do they exist?

Energy Technology Data Exchange (ETDEWEB)

Nebert, D.W. [Univ. of Cincinnati Medical Center, OH (United States)

1997-02-01

The beautiful report by Sachse in this issue of the journal represents the culmination of 2 decades of increasingly exciting work on the {open_quotes}debrisoquine oxidation polymorphism,{close_quotes} one of dozens of pharmacogenetic or ecogenetic polymorphisms that have been shown to have an important impact on innumerable clinical diseases. Pharmacogenetics is the study of the hereditary basis of the differences in responses to drugs. Ecogenetics is the broader field of interindividual differences in response to all environmental chemical and physical agents (e.g., heavy metals, insecticides, compounds formed during combustion, and UV radiation). It is now clear that each of us has his or her own {open_quotes}individual fingerprint{close_quotes} of unique alleles encoding the so-called drug-metabolizing enzymes (DMEs) and the receptors that regulate these enzymes. In this invited editorial, I first introduce the current thinking in the field of DME (and DME-receptor) research and how DMEs have evolved from animal-plant interactions. I then describe the debrisoquine oxidation polymorphism, as well as two other relevant DME polymorphisms; show the relationship between these polymorphisms and human disease; provide examples of synergistic effects caused by the combination of two DME polymorphisms; and discuss the ethical considerations of such research. Last, I speculate on why these allelic frequencies of the DME genes might exist in human populations in the first place. 35 refs.

Chemical evaluation of electronic cigarettes

OpenAIRE

Cheng, Tianrong

2014-01-01

Objective To review the available evidence evaluating the chemicals in refill solutions, cartridges, aerosols and environmental emissions of electronic cigarettes (e-cigarettes). Methods Systematic literature searches were conducted to identify research related to e-cigarettes and chemistry using 5 reference databases and 11 search terms. The search date range was January 2007 to September 2013. The search yielded 36 articles, of which 29 were deemed relevant for analysis. Results The levels ...

Influence of ionization on the Gupta and on the Park chemical models

Science.gov (United States)

Morsa, Luigi; Zuppardi, Gennaro

2014-12-01

This study is an extension of former works by the present authors, in which the influence of the chemical models by Gupta and by Park was evaluated on thermo-fluid-dynamic parameters in the flow field, including transport coefficients, related characteristic numbers and heat flux on two current capsules (EXPERT and Orion) during the high altitude re-entry path. The results verified that the models, even computing different air compositions in the flow field, compute only slight different compositions on the capsule surface, therefore the difference in the heat flux is not very relevant. In the above mentioned studies, ionization was neglected because the velocities of the capsules (about 5000 m/s for EXPERT and about 7600 m/s for Orion) were not high enough to activate meaningful ionization. The aim of the present work is to evaluate the incidence of ionization, linked to the chemical models by Gupta and by Park, on both heat flux and thermo fluid-dynamic parameters. The present computer tests were carried out by a direct simulation Monte Carlo code (DS2V) in the velocity interval 7600-12000 m/s, considering only the Orion capsule at an altitude of 85 km. The results verified what already found namely when ionization is not considered, the chemical models compute only a slight different gas composition in the core of the shock wave and practically the same composition on the surface therefore the same heat flux. On the opposite, the results verified that when ionization is considered, the chemical models compute different compositions in the whole shock layer and on the surface therefore different heat flux. The analysis of the results relies on a qualitative and a quantitative evaluation of the effects of ionization on both chemical models. The main result of the study is that when ionization is taken into account, the Park model is more reactive than the Gupta model; consequently, the heat flux computed by Park is lower than the one computed by Gupta; using the

Attention-driven auditory cortex short-term plasticity helps segregate relevant sounds from noise

OpenAIRE

Ahveninen, Jyrki; Hämäläinen, Matti; Jääskeläinen, Iiro P.; Ahlfors, Seppo P.; Huang, Samantha; Lin, Fa-Hsuan; Raij, Tommi; Sams, Mikko; Vasios, Christos E.; Belliveau, John W.

2011-01-01

How can we concentrate on relevant sounds in noisy environments? A “gain model” suggests that auditory attention simply amplifies relevant and suppresses irrelevant afferent inputs. However, it is unclear whether this suffices when attended and ignored features overlap to stimulate the same neuronal receptive fields. A “tuning model” suggests that, in addition to gain, attention modulates feature selectivity of auditory neurons. We recorded magnetoencephalography, EEG, and functional MRI (fMR...

Review and Comparison of the Search Effectiveness and User Interface of Three Major Online Chemical Databases

Science.gov (United States)

Bharti, Neelam; Leonard, Michelle; Singh, Shailendra

2016-01-01

Online chemical databases are the largest source of chemical information and, therefore, the main resource for retrieving results from published journals, books, patents, conference abstracts, and other relevant sources. Various commercial, as well as free, chemical databases are available. SciFinder, Reaxys, and Web of Science are three major…

Evolutionary medicine: update on the relevance to family practice.

Science.gov (United States)

Naugler, Christopher T

2008-09-01

To review the relevance of evolutionary medicine to family practice and family physician training. Articles were located through a MEDLINE search, using the key words evolution, Darwin, and adaptation. Most references presented level III evidence (expert opinion), while a minority provided level II evidence (epidemiologic studies). Evolutionary medicine deals with the interplay of biology and the environment in the understanding of human disease. Yet medical schools have virtually ignored the need for family physicians to have more than a cursory knowledge of this topic. A review of the main trends in this field most relevant to family practice revealed that a basic knowledge of evolutionary medicine might help in explaining the causation of diseases to patients. Evolutionary medicine has also proven key to explaining the reasons for the development of antibiotic resistance and has the potential to explain cancer pathogenesis. As an organizing principle, this field also has potential in the teaching of family medicine. Evolutionary medicine should be studied further and incorporated into medical training and practice. Its practical utility will be proven through the generation of testable hypotheses and their application in relation to disease causation and possible prevention.

Secondary Structure of Rat and Human Amylin across Force Fields.

Directory of Open Access Journals (Sweden)

Kyle Quynn Hoffmann

Full Text Available The aggregation of human amylin has been strongly implicated in the progression of Type II diabetes. This 37-residue peptide forms a variety of secondary structures, including random coils, α-helices, and β-hairpins. The balance between these structures depends on the chemical environment, making amylin an ideal candidate to examine inherent biases in force fields. Rat amylin differs from human amylin by only 6 residues; however, it does not form fibrils. Therefore it provides a useful complement to human amylin in studies of the key events along the aggregation pathway. In this work, the free energy of rat and human amylin was determined as a function of α-helix and β-hairpin content for the Gromos96 53a6, OPLS-AA/L, CHARMM22/CMAP, CHARMM22*, Amberff99sb*-ILDN, and Amberff03w force fields using advanced sampling techniques, specifically bias exchange metadynamics. This work represents a first systematic attempt to evaluate the conformations and the corresponding free energy of a large, clinically relevant disordered peptide in solution across force fields. The NMR chemical shifts of rIAPP were calculated for each of the force fields using their respective free energy maps, allowing us to quantitatively assess their predictions. We show that the predicted distribution of secondary structures is sensitive to the choice of force-field: Gromos53a6 is biased towards β-hairpins, while CHARMM22/CMAP predicts structures that are overly α-helical. OPLS-AA/L favors disordered structures. Amberff99sb*-ILDN, AmberFF03w and CHARMM22* provide the balance between secondary structures that is most consistent with available experimental data. In contrast to previous reports, our findings suggest that the equilibrium conformations of human and rat amylin are remarkably similar, but that subtle differences arise in transient alpha-helical and beta-strand containing structures that the human peptide can more readily adopt. We hypothesize that these transient

Implementing systematic review techniques in chemical risk assessment: Challenges, opportunities and recommendations.

Science.gov (United States)

Whaley, Paul; Halsall, Crispin; Ågerstrand, Marlene; Aiassa, Elisa; Benford, Diane; Bilotta, Gary; Coggon, David; Collins, Chris; Dempsey, Ciara; Duarte-Davidson, Raquel; FitzGerald, Rex; Galay-Burgos, Malyka; Gee, David; Hoffmann, Sebastian; Lam, Juleen; Lasserson, Toby; Levy, Len; Lipworth, Steven; Ross, Sarah Mackenzie; Martin, Olwenn; Meads, Catherine; Meyer-Baron, Monika; Miller, James; Pease, Camilla; Rooney, Andrew; Sapiets, Alison; Stewart, Gavin; Taylor, David

2016-01-01

Systematic review (SR) is a rigorous, protocol-driven approach designed to minimise error and bias when summarising the body of research evidence relevant to a specific scientific question. Taking as a comparator the use of SR in synthesising research in healthcare, we argue that SR methods could also pave the way for a "step change" in the transparency, objectivity and communication of chemical risk assessments (CRA) in Europe and elsewhere. We suggest that current controversies around the safety of certain chemicals are partly due to limitations in current CRA procedures which have contributed to ambiguity about the health risks posed by these substances. We present an overview of how SR methods can be applied to the assessment of risks from chemicals, and indicate how challenges in adapting SR methods from healthcare research to the CRA context might be overcome. Regarding the latter, we report the outcomes from a workshop exploring how to increase uptake of SR methods, attended by experts representing a wide range of fields related to chemical toxicology, risk analysis and SR. Priorities which were identified include: the conduct of CRA-focused prototype SRs; the development of a recognised standard of reporting and conduct for SRs in toxicology and CRA; and establishing a network to facilitate research, communication and training in SR methods. We see this paper as a milestone in the creation of a research climate that fosters communication between experts in CRA and SR and facilitates wider uptake of SR methods into CRA. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

ZnO nanorod arrays prepared by chemical bath deposition combined with rapid thermal annealing: structural, photoluminescence and field emission characteristics

International Nuclear Information System (INIS)

Chen, Hung-Wei; He, Hsin-Min; Lee, Yi-Mu; Yang, Hsi-Wen

2016-01-01

ZnO nanorod arrays were prepared by low temperature chemical bath deposition (CBD) combined with rapid thermal annealing (RTA) under different ambient conditions. The structure and morphology of the synthesized ZnO have been characterized by field-emission scanning electron microscopy (FESEM) and x-ray diffraction (XRD). The obtained ZnO samples are highly crystalline with a hexagonal wurtzite phase and also display well-aligned array structure. A pronounced effect on increased nanorod length was found for the RTA-treated ZnO as compared to the as-grown ZnO. Analysis of XRD indicates that the (0 0 2) feature peak of the as-grown ZnO was shifted towards a lower angle as compared to the peaks of RTA-treated ZnO samples due to the reduction of tensile strain along the c-axis by RTA. Photoluminescence (PL) studies reveal that the ZnO nanorod arrays receiving RTA in an O 2 environment have the sharpest UV emission band and greatest intensity ratio of near band-edge emission (NBE) to deep level emission (DLE). Additionally, the effects of RTA on the field emission properties were evaluated. The results demonstrate that RTA an O 2 environment can lower the turn-on field and improve the field enhancement factor. The stability of the field emission current was also tested for 4 h. (paper)

Using different assumptions of aerosol mixing state and chemical composition to predict CCN concentrations based on field measurements in urban Beijing

Science.gov (United States)

Ren, Jingye; Zhang, Fang; Wang, Yuying; Collins, Don; Fan, Xinxin; Jin, Xiaoai; Xu, Weiqi; Sun, Yele; Cribb, Maureen; Li, Zhanqing

2018-05-01

Understanding the impacts of aerosol chemical composition and mixing state on cloud condensation nuclei (CCN) activity in polluted areas is crucial for accurately predicting CCN number concentrations (NCCN). In this study, we predict NCCN under five assumed schemes of aerosol chemical composition and mixing state based on field measurements in Beijing during the winter of 2016. Our results show that the best closure is achieved with the assumption of size dependent chemical composition for which sulfate, nitrate, secondary organic aerosols, and aged black carbon are internally mixed with each other but externally mixed with primary organic aerosol and fresh black carbon (external-internal size-resolved, abbreviated as EI-SR scheme). The resulting ratios of predicted-to-measured NCCN (RCCN_p/m) were 0.90 - 0.98 under both clean and polluted conditions. Assumption of an internal mixture and bulk chemical composition (INT-BK scheme) shows good closure with RCCN_p/m of 1.0 -1.16 under clean conditions, implying that it is adequate for CCN prediction in continental clean regions. On polluted days, assuming the aerosol is internally mixed and has a chemical composition that is size dependent (INT-SR scheme) achieves better closure than the INT-BK scheme due to the heterogeneity and variation in particle composition at different sizes. The improved closure achieved using the EI-SR and INT-SR assumptions highlight the importance of measuring size-resolved chemical composition for CCN predictions in polluted regions. NCCN is significantly underestimated (with RCCN_p/m of 0.66 - 0.75) when using the schemes of external mixtures with bulk (EXT-BK scheme) or size-resolved composition (EXT-SR scheme), implying that primary particles experience rapid aging and physical mixing processes in urban Beijing. However, our results show that the aerosol mixing state plays a minor role in CCN prediction when the κorg exceeds 0.1.

Field emitters with low turn on electric field based on carbon fibers

International Nuclear Information System (INIS)

Wang Qilong; Mu Hui; Zhang Xiaobing; Lei Wei; Wang Jinchan; Zhao Hongping

2007-01-01

Field emitters of vertical carbon fibers on a silicon substrate are fabricated by catalytic chemical vapor deposition. After an ageing process of 150 min, field emission measurement of the fibers is carried out in a vacuum chamber with a base pressure of 5.0 x 10 -4 Pa. The experimental results display that field emission performance of the carbon fibers depends strongly on the vacuum level during the experiments. After the field emission measurement, damage to the carbon fiber field emitters is observed from the scanning electron microscopic images

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Articles written in Journal of Chemical Sciences. Volume 122 Issue 1 January 2010 pp 19-35. Magnetic behaviour in metal-organic frameworks ... The relevance of metal organic frameworks (MOFs) in inorganic materials chemistry · Srinivasan Natarajan Partha Mahata Debajit Sarma · More Details Abstract Fulltext PDF.

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Home; Journals; Journal of Chemical Sciences; Volume 112; Issue 3. Stability and thermodynamics of Zn(II)-cysteinemethylester and histidinemethylester system - Relevance to zinc core in transcription factor IIIA. P Rabindra Reddy M Radhika K Florence Nightingale. Volume 112 Issue 3 June 2000 pp 358-358 ...

Selected readings in chemical kinetics

CERN Document Server

Back, Margaret H

2013-01-01

Selected Readings in Chemical Kinetics covers excerpts from 12 papers in the field of general and gas-phase kinetics. The book discusses papers on the laws of connexion between the conditions of a chemical change and its amount; on the reaction velocity of the inversion of the cane sugar by acids; and the calculation in absolute measure of velocity constants and equilibrium constants in gaseous systems. The text then tackles papers on simple gas reactions; on the absolute rate of reactions in condensed phases; on the radiation theory of chemical action; and on the theory of unimolecular reacti

Choice of input fields in stochastic finite elements

DEFF Research Database (Denmark)

Ditlevsen, Ove Dalager; Tarp-Johansen, Niels Jacob

1996-01-01

the differential equation of the column displacement and the relevant boundarv conditions, it can be expected that the discretization of the flexibility field is preferable over the discretization of the stiffness field. Direct mechanical considerations support this expectation.Keywords: Random stiffness......The problem of the arbitrary choice of variables for random field modelling in structural mechanics or in soil mechanics is treated. For example, it is relevant to ask the question of whether it is best to choose a stiffness field along a beam element or to choose its reciprocal field...... variables. Several reported discretization methods define these random variables as integrals of the product of the field and some suitable weight functions. In particular, the weight functions can be Dirac delta functions whereby the random variables become the field values at a finite set of given points...

Chemical and physical reservoir parameters at initial conditions in Berlin geothermal field, El Salvador: a first assessment

Energy Technology Data Exchange (ETDEWEB)

D`Amore, F. [CNR, Pisa (Italy). International Institute for Geothermal Research ; Mejia, J.T. [Comision Ejuctiva Hidroelectrica del Rio Lempa, El Salvador (El Salvador)

1999-02-01

A study has been made to obtain the main chemical and physical reservoir conditions of the Berlin field (El Salvador), before the commencement of large-scale exploitation of the geothermal resource. The upflow zone and the main flow path within the geothermal system have been determined from the area distribution of chemical parameters such as Cl concentrations, ratios such as Na/K, K/Mg, K/Ca, and temperatures computed from silica concentrations and cation ratios. Gas compositions have been used to calculate reservoir parameters such as temperature, steam fraction and P{sub CO{sub 2}}. The computer code WATCH (new edition 1994) has been used to evaluate the temperature of equilibrium between the aqueous species and selected alteration minerals in the reservoir. The fluid in Berlin flows to the exploited reservoir from the south, entering it in the vicinity of well TR-5. Along its flow-path (south-north direction), the fluid is cooled by boiling and conductive cooling. The chloride-enthalpy diagram indicates the existence of a parent water, with a chemical composition similar to well TR-5, that boils and the residual brine produces the fluid of well TR-3, which is very concentrated in salts. The fluid of TR-5 is probably produced from this parent water, generating the fluids of wells TR-2 and TR-9 by boiling, and the fluids of wells TR-1 and TR-4 by conductive cooling. The computed values for the deep steam fraction clearly indicate that this is a liquid-dominated system, with computed temperature values decreasing from 310{sup o}C (upflow zone) to about 230{sup o}C, from south to north. (author)

Chemical and biological monitoring of MIOR on the pilot area of Vyngapour oil field, West Sibera, Russia

Energy Technology Data Exchange (ETDEWEB)

Arinbasarov, M.U.; Murygina, V.P.; Mats, A.A.

1995-12-31

The pilot area of the Vyngapour oil field allotted for MIOR tests contains three injection and three producing wells. These wells were treated in summer 1993 and 1994. Before, during, and after MIOR treatments on the pilot area the chemical compounds of injected and formation waters were studied, as well as the amount and species of microorganisms entering the stratum with the injected water and indigenous bacteria presented in bottomhole zones of the wells. The results of monitoring showed that the bottomhole zone of the injection well already had biocenosis of heterotrophic, hydrocarbon-oxidizing, methanogenic, and sulfate-reducing bacteria, which were besides permanently introduced into the reservoir during the usual waterflooding. The nutritious composition activated vital functions of all bacterial species presented in the bottomhole zone of the injection well. The formation waters from producing wells showed the increase of the content of nitrate, sulfate, phosphate, and bicarbonate ions by the end of MIOR. The amount of hydrocarbon-oxidizing bacteria in formation waters of producing wells increased by one order. The chemical and biological monitoring revealed the activation of the formation microorganisms, but no transport of food industry waste bacteria through the formation from injection to producing wells was found.

Mean-field theory and solitonic matter

International Nuclear Information System (INIS)

Cohen, T.D.

1989-01-01

Finite density solitonic matter is considered in the context of quantum field theory. Mean-field theory, which provides a reasonable description for single-soliton properties gives rise to a crystalline description. A heuristic description of solitonic matter is given which shows that the low-density limit of solitonic matter (the limit which is presumably relevant for nuclear matter) does not commute with the mean-field theory limit and gives rise to a Fermi-gas description of the system. It is shown on the basis of a formal expansion of simple soliton models in terms of the coupling constant why one expects mean-field theory to fail at low densities and why the corrections to mean-field theory are nonperturbative. This heuristic description is tested against an exactly solvable 1+1 dimensional model (the sine-Gordon model) and found to give the correct behavior. The relevance of these results to the program of doing nuclear physics based on soliton models is discussed. (orig.)

Summaries of FY 1980 research in the chemical sciences

International Nuclear Information System (INIS)

1980-09-01

Brief summaries are given of research programs being pursued by DOE laboratories and offsite facilities in the fields of photochemical and radiation sciences, chemical physics, atomic physics, chemical energy, separations, analysis, and chemical engineering sciences. No actual data is given. Indexes of topics, offsite institutions, and investigators are included

Exploring Chemical Routes Relevant to the Toxicity of Paracetamol and Its meta-Analogue at a Molecular Level.

Science.gov (United States)

Castañeda-Arriaga, Romina; Galano, Annia

2017-06-19

Several chemical routes related to the toxicity of paracetamol (APAP, also known as acetaminophen), its analogue N-acetyl-m-aminophenol (AMAP), and their deacetylated derivatives, were investigated using the density functional theory. It was found that AMAP is more resilient to chemical oxidation than APAP. The chemical degradation of AMAP into radical intermediates is predicted to be significant only when it is induced by strong oxidants. This might explain the apparent contradictions among experimental evidence regarding AMAP toxicity. All of the investigated species are incapable of oxidizing DNA, but they can damage lipids by H atom transfer (HAT) from the bis-allylic site, with the phenoxyl radical of AMAP being the most threatening to the lipids' chemical integrity. Regarding protein damage, Cys residues were identified as the most likely targets. The damage in this case may involve two different routes: (i) HAT from the thiol site by phenoxyl radicals and (ii) protein arylation by the quinone imine (QI) derivatives. Both are not only thermochemically viable, but also are very fast reactions. According to the mechanism identified here as the most likely one for protein arylation, a rather large concentration of QI would be necessary for this damage to be significant. This might explain why APAP is nontoxic in therapeutic doses, while overdoses can result in hepatic toxicity. In addition, the QI derived from both APAP and AMAP were found to be capable of inflicting this kind of damage. In addition, it is proposed that they might increase • OH production via the Fenton reaction, which would contribute to their toxicity.

Toxic chemical risk acceptance criteria

International Nuclear Information System (INIS)

Craig, D.K.; Davis, J.; Lee, L.; Lein, P.; Omberg, S.

1992-01-01

This paper presents recommendations of a subcommittee of the Westinghouse M ampersand 0 Nuclear Facility Safety Committee concerning toxic chemical risk acceptance criteria. Two sets of criteria have been developed, one for use in the hazard classification of facilities, and the second for use in comparing risks in DOE non-reactor nuclear facility Safety Analysis Reports. The Emergency Response Planning Guideline (ERPG) values are intended to provide estimates of concentration ranges for specific chemicals above which exposure would be expected to lead to adverse heath effects of increasing severity for ERPG-1, -2, and -3s. The subcommittee recommends that criteria for hazard class or risk range be based on ERPGs for all chemicals. Probability-based Incremental Cancer Risk (ICR) criteria are recommended for additional analyses of risks from all known or suspected human carcinogens. Criteria are given for both on-site and off-site exposure. The subcommittee also recommends that the 5-minute peak concentration be compared with the relevant criterion with no adjustment for exposure time. Since ERPGs are available for only a limited number of chemicals, the subcommittee has developed a proposed hierarchy of concentration limit parameters for the different criteria

Transformation of highly toxic chemicals factory for Fuqing nuclear power plant

International Nuclear Information System (INIS)

Wang Hongkai; Gao Yuan; Li Hua

2014-01-01

For the iodine adsorption tests of current M310 nuclear power plant, dimethyl sulfate is one of highly toxic chemical of national strict standard management, and the nation make strict control over toxic chemicals procurement, transportation, storage, management requirements. Since the appropriate toxic chemicals storage place was not considered in the design of M310 nuclear power plant, Fuqing nuclear power sites for storage of dimethyl sulfate implement technical transformation to meet and regulate the storage requirements for highly toxic chemical. This will lay the foundation for carrying out smoothly the relevant tests of nuclear power plant, and provide the reference for the use and construction of toxic chemicals reactor in the same type nuclear power plant. (authors)

Chemical Atherogenesis: Role of Endogenous and Exogenous Poisons in Disease Development

Directory of Open Access Journals (Sweden)

Matthew K. Ross

2014-01-01

Full Text Available Chemical atherogenesis is an emerging field that describes how environmental pollutants and endogenous toxins perturb critical pathways that regulate lipid metabolism and inflammation, thus injuring cells found within the vessel wall. Despite growing awareness of the role of environmental pollutants in the development of cardiovascular disease, the field of chemical atherogenesis can broadly include both exogenous and endogenous poisons and the study of molecular, biochemical, and cellular pathways that become dysregulated during atherosclerosis. This integrated approach is logical because exogenous and endogenous toxins often share the same mechanism of toxicity. Chemical atherogenesis is a truly integrative discipline because it incorporates concepts from several different fields, including biochemistry, chemical biology, pharmacology, and toxicology. This review will provide an overview of this emerging research area, focusing on cellular and animal models of disease.

Chemical Atherogenesis: Role of Endogenous and Exogenous Poisons in Disease Development.

Science.gov (United States)

Ross, Matthew K; Matthews, Anberitha T; Mangum, Lee C

Chemical atherogenesis is an emerging field that describes how environmental pollutants and endogenous toxins perturb critical pathways that regulate lipid metabolism and inflammation, thus injuring cells found within the vessel wall. Despite growing awareness of the role of environmental pollutants in the development of cardiovascular disease, the field of chemical atherogenesis can broadly include both exogenous and endogenous poisons and the study of molecular, biochemical, and cellular pathways that become dysregulated during atherosclerosis. This integrated approach is logical because exogenous and endogenous toxins often share the same mechanism of toxicity. Chemical atherogenesis is a truly integrative discipline because it incorporates concepts from several different fields, including biochemistry, chemical biology, pharmacology, and toxicology. This review will provide an overview of this emerging research area, focusing on cellular and animal models of disease.

Transport properties of field effect transistors with randomly networked single walled carbon nanotubes grown by plasma enhanced chemical vapour deposition

International Nuclear Information System (INIS)

Kim, Un Jeong; Park, Wanjun

2009-01-01

The transport properties of randomly networked single walled carbon nanotube (SWNT) transistors with different channel lengths of L c = 2-10 μm were investigated. Randomly networked SWNTs were directly grown for the two different densities of ρ ∼ 25 μm -2 and ρ ∼ 50 μm -2 by water plasma enhanced chemical vapour deposition. The field effect transport is governed mainly by formation of the current paths that is related to the nanotube density. On the other hand, the off-state conductivity deviates from linear dependence for both nanotube density and channel length. The field effect mobility of holes is estimated as 4-13 cm 2 V -1 s -1 for the nanotube transistors based on the simple MOS theory. The mobility is increased for the higher density without meaningful dependence on the channel lengths.

In vivo relevance of intercellular calcium signaling in Drosophila wing development

OpenAIRE

Brodskiy, Pavel; Brito-Robinson, Teresa; Levis, Megan; Narciso, Cody; Jangula, Jamison; Huizar, Francisco; Wu, Qinfeng; Zartman, Jeremiah

2017-01-01

Recently, organ-scale intercellular Ca2+ transients (ICTs) were reported in the Drosophila wing disc. However, the functional in vivo significance of ICTs remains largely unknown. Here we demonstrate the in vivo relevance of intercellular Ca2+ signaling and its impact on wing development. We report that Ca2+ signaling in vivo decreases as wing discs mature. Ca2+ signaling ex vivo responds to fly extract in a dose-dependent manner. This suggests ICTs occur in vivo due to chemical stimulus that...

SHIFTING WEED COMPOSITIONS AND BIOMASS PRODUCTION IN SWEET CORN FIELD TREATED WITH ORGANIC COMPOSTS AND CHEMICAL WEED CONTROLS

Directory of Open Access Journals (Sweden)

Marulak Simarmata

2015-10-01

Full Text Available The objectives of the research were to study the shift of weed compositions in sweet corn field treated with organic compost and chemical weed controls and to compare the effect of treatment combinations on weed growth, weed biomass and sweet corn biomass. The research was conducted in Bengkulu, Indonesia, from April to July 2014. Results showed that the number of weed species decreased after the trials from 14 to 13. There was a shift in weed compositions because 5 species of weeds did not emerge after the trials, but 4 new species were found. Chemical weed control used a herbiside mixture of atrazine and mesotrione applied during postemergence was the most effective method to control weeds, which was observed on decreased weed emergence and weed biomass down to 22.33 and 25.00 percent of control, respectively. Subsequently, biomass production of sweet corn increased up to 195.64 percent at the same trials. Biomass of weeds and sweet corn were also affected by the organic composts. Weed biomass was inhibited by treatment of composted empty fruith bunches of oil palm, whereas significantly increased of sweet corn biomass were observed in the plots of organic manure.

Low temperature carrier transport study of monolayer MoS{sub 2} field effect transistors prepared by chemical vapor deposition under an atmospheric pressure

Energy Technology Data Exchange (ETDEWEB)

Liu, Xinke, E-mail: xkliu@szu.edu.cn, E-mail: wujing026@gmail.com; He, Jiazhu; Tang, Dan; Lu, Youming; Zhu, Deliang; Liu, Wenjun; Cao, Peijiang; Han, Sun [College of Materials Science and Engineering, Shenzhen Engineering Laboratory for Advanced Technology of Ceramics, Nanshan District Key Lab for Biopolymer and Safety Evaluation, Shenzhen University, 3688 Nanhai Ave, Shenzhen 518060 (China); Liu, Qiang; Wen, Jiao; Yu, Wenjie [State Key Laboratory of Functional Materials for Informatics, Shanghai Institute of Microsystem and Information Technology, CAS, 865 Chang Ning Road, Shanghai 200050 (China); Liu, Wenjun [State Key Laboratory of ASIC and System, Department of Microelectronics, Fudan University, 220 Handan Road, Shanghai 200433 (China); Wu, Jing, E-mail: xkliu@szu.edu.cn, E-mail: wujing026@gmail.com [Department of Physics, National University of Singapore, 21 Lower Kent Ridge Road, 117576 Singapore (Singapore); He, Zhubing [Department of Materials Science and Engineering, South University of Science and Technology of China, 1088 Xueyuan Road, Shenzhen 518055 (China); Ang, Kah-Wee [Department of Electrical and Computer Engineering, National University of Singapore, 4 Engineering Drive 3, 117583 Singapore (Singapore)

2015-09-28

Large size monolayer Molybdenum disulphide (MoS{sub 2}) was successfully grown by chemical vapor deposition method under an atmospheric pressure. The electrical transport properties of the fabricated back-gate monolayer MoS{sub 2} field effect transistors (FETs) were investigated under low temperatures; a peak field effect mobility of 59 cm{sup 2}V{sup −1}s{sup −1} was achieved. With the assist of Raman measurement under low temperature, this work identified the mobility limiting factor for the monolayer MoS{sub 2} FETs: homopolar phonon scattering under low temperature and electron-polar optical phonon scattering at room temperature.

Construction technique for a chemical plant (II)

International Nuclear Information System (INIS)

1978-08-01

This book deals with design and construction for a chemical plant which includes design and building of steel structure for a chemical plant with types, basic regulation, plan, shop fabrication for steel structure and field construction. It explains design and construction of making building for a chemical construction with measurement, types of building and basic rule of the building, design of the building, constructing plumbing for a chemical plant with plan, management of material, checking for construction, construction of electrical installation on plan, know-how to construction and maintenance.

Comparing equivalent thermal, high pressure and pulsed electric field processes for mild pasteurization of orange juice: Part II: Impact on specific chemical and biochemical quality parameters

NARCIS (Netherlands)

Vervoort, L.; Plancken, van der I.; Grauwet, T.; Timmermans, R.A.H.; Mastwijk, H.C.; Matser, A.M.; Hendrickx, M.E.; Loey, van A.

2011-01-01

The impact of thermal, high pressure (HP) and pulsed electric field (PEF) processing for mild pasteurization of orange juice was compared on a fair basis, using processing conditions leading to an equivalent degree of microbial inactivation. Examining the effect on specific chemical and biochemical

Journal of Chemical Sciences | Indian Academy of Sciences

Indian Academy of Sciences (India)

Articles written in Journal of Chemical Sciences. Volume 112 Issue 3 June 2000 pp 358-358. Stability and thermodynamics of Zn(II)-cysteinemethylester and histidinemethylester system - Relevance to zinc core in transcription factor IIIA · P Rabindra Reddy M Radhika K Florence Nightingale · More Details Fulltext PDF.

Integrated environmental risk assessment and whole-process management system in chemical industry parks.

Science.gov (United States)

Shao, Chaofeng; Yang, Juan; Tian, Xiaogang; Ju, Meiting; Huang, Lei

2013-04-19

Chemical industry parks in China are considered high-risk areas because they present numerous risks that can damage the environment, such as pollution incidents. In order to identify the environmental risks and the principal risk factors in these areas, we have developed a simple physical model of a regional environmental risk field (ERF) using existing dispersal patterns and migration models. The regional ERF zoning was also conducted and a reference value for diagnostic methods was developed to determine risk-acceptable, risk-warning, and risk-mitigation zones, which can provide a risk source layout for chemical industry parks. In accordance with the environmental risk control requirements, this study focused on the three stages of control and management of environmental risk and established an environmental risk management system including risk source identification and assessment, environmental safety planning, early risk warning, emergency management, assessment of environmental effects, and environmental remediation of pollution accidents. By using this model, the environmental risks in Tianjin Binhai New Area, the largest chemical industry park in China, were assessed and the environmental risk zoning map was drawn, which suggested the existence of many unacceptable environmental risks in this area. Thus, relevant suggestions have been proposed from the perspective of the adjustment of risk source layout, intensified management of environmental risk control and so on.

Integrated Environmental Risk Assessment and Whole-Process Management System in Chemical Industry Parks

Science.gov (United States)

Shao, Chaofeng; Yang, Juan; Tian, Xiaogang; Ju, Meiting; Huang, Lei

2013-01-01

Chemical industry parks in China are considered high-risk areas because they present numerous risks that can damage the environment, such as pollution incidents. In order to identify the environmental risks and the principal risk factors in these areas, we have developed a simple physical model of a regional environmental risk field (ERF) using existing dispersal patterns and migration models. The regional ERF zoning was also conducted and a reference value for diagnostic methods was developed to determine risk-acceptable, risk-warning, and risk-mitigation zones, which can provide a risk source layout for chemical industry parks. In accordance with the environmental risk control requirements, this study focused on the three stages of control and management of environmental risk and established an environmental risk management system including risk source identification and assessment, environmental safety planning, early risk warning, emergency management, assessment of environmental effects, and environmental remediation of pollution accidents. By using this model, the environmental risks in Tianjin Binhai New Area, the largest chemical industry park in China, were assessed and the environmental risk zoning map was drawn, which suggested the existence of many unacceptable environmental risks in this area. Thus, relevant suggestions have been proposed from the perspective of the adjustment of risk source layout, intensified management of environmental risk control and so on. PMID:23603866

Integrated Environmental Risk Assessment and Whole-Process Management System in Chemical Industry Parks

Directory of Open Access Journals (Sweden)

Lei Huang

2013-04-01

Full Text Available Chemical industry parks in China are considered high-risk areas because they present numerous risks that can damage the environment, such as pollution incidents. In order to identify the environmental risks and the principal risk factors in these areas, we have developed a simple physical model of a regional environmental risk field (ERF using existing dispersal patterns and migration models. The regional ERF zoning was also conducted and a reference value for diagnostic methods was developed to determine risk-acceptable, risk-warning, and risk-mitigation zones, which can provide a risk source layout for chemical industry parks. In accordance with the environmental risk control requirements, this study focused on the three stages of control and management of environmental risk and established an environmental risk management system including risk source identification and assessment, environmental safety planning, early risk warning, emergency management, assessment of environmental effects, and environmental remediation of pollution accidents. By using this model, the environmental risks in Tianjin Binhai New Area, the largest chemical industry park in China, were assessed and the environmental risk zoning map was drawn, which suggested the existence of many unacceptable environmental risks in this area. Thus, relevant suggestions have been proposed from the perspective of the adjustment of risk source layout, intensified management of environmental risk control and so on.

Biodegradation of selected offshore chemicals

OpenAIRE

Wennberg, Aina C.; Petersen, Karina

2017-01-01

A review of biodegradation data for specific oil field chemicals and chemical groups were performed in order to evaluate if the current categorisation of these were appropriate based on the biodegradation properties. Data were compiled from databases like ECHA and MITI and from the literature. For compounds with limited or inconclusive test data, biodegradation was also estimated by the BIOWIN models, and the EAWAG-BBD pathway prediction system was used to predict plausible biodegradation pat...

Summaries of FY 1980 research in the chemical sciences

Energy Technology Data Exchange (ETDEWEB)

None

1980-09-01

Brief summaries are given of research programs being pursued by DOE laboratories and offsite facilities in the fields of photochemical and radiation sciences, chemical physics, atomic physics, chemical energy, separations, analysis, and chemical engineering sciences. No actual data is given. Indexes of topics, offsite institutions, and investigators are included. (DLC)

Study on the system development for evaluating long-term alteration of hydraulic field in near field

International Nuclear Information System (INIS)

Okutu, Kazuo; Morikawa, Seiji; Takamura, Hisashi

2002-02-01

For the high performance evaluation of reliability of TRU waste repository, the system development for evaluating long-term alteration in consideration of the changes action of barrier materials of hydraulic field in Near Field is required. In this research, system development for evaluating long-term alteration of hydraulic field in Near Field was examined. Examination of the basic specification of chemical/dynamic alteration action analysis system used as the composition element of this system and a whole system were performed. The research result of this year is shown below. 1) The system by which the chemical changes happened by Near Field as influence of the exudation liquid from cement material are evaluated was examined. In this year, document investigation about the various processes about chemical alteration and extraction of a choice, presentation of the uncertainty about a model or data, preliminary modeling, a simple analysis tool creation and sensitivity analysis, extraction of the process which should be taken into consideration in a system valuation modeling and a phenomenon analysis model, and a corresponding mathematics model, optimization of the software composition for development of a system valuation modeling, the exercise by the preliminary system analysis model, the experiment plan for the corroboration of a model were shown. 2) In consideration of change of the physical characteristic accompanying chemical alteration of bentonite material and cement material, the system by which dynamic changes action of repository is evaluated was examined. In this year, arrangement of the dynamics action of repository for long-term were shown. Extraction of a phenomenon made applicable to evaluation was shown. And the dynamic models were investigated and the prototype of the dynamics model that can take into consideration the characteristic of bentonite material was shown. And the basic composition of a dynamic changes action analysis system was shown. 3

Analysis of the mechanical behavior of single wall carbon nanotubes by a modified molecular structural mechanics model incorporating an advanced chemical force field

Science.gov (United States)

Eberhardt, Oliver; Wallmersperger, Thomas

2018-03-01

The outstanding properties of carbon nanotubes (CNTs) keep attracting the attention of researchers from different fields. CNTs are promising candidates for applications e.g. in lightweight construction but also in electronics, medicine and many more. The basis for the realization of the manifold applications is a detailed knowledge of the material properties of the carbon nanotubes. In particular for applications in lightweight constructions or in composites, the knowledge of the mechanical behavior of the CNTs is of vital interest. Hence, a lot of effort is put into the experimental and theoretical determination of the mechanical material properties of CNTs. Due to their small size, special techniques have to be applied. In this research, a modified molecular structural mechanics model for the numerical determination of the mechanical behavior of carbon nanotubes is presented. It uses an advanced approach for the geometrical representation of the CNT structure while the covalent bonds in the CNTs are represented by beam elements. Furthermore, the model is specifically designed to overcome major drawbacks in existing molecular structural mechanics models. This includes energetic consistency with the underlying chemical force field. The model is developed further to enable the application of a more advanced chemical force field representation. The developed model is able to predict, inter alia, the lateral and radial stiffness properties of the CNTs. The results for the lateral stiffness are given and discussed in order to emphasize the progress made with the presented approach.

Microfluidic Device for Controllable Chemical Release via Field-Actuated Membrane Incorporating Nanoparticles

Directory of Open Access Journals (Sweden)

Xiang Wang

2013-01-01

Full Text Available We report a robust magnetic-membrane-based microfluidic platform for controllable chemical release. The magnetic membrane was prepared by mixing polydimethylsiloxane (PDMS and carbonyl-iron nanoparticles together to obtain a flexible thin film. With combined, simultaneous regulation of magnetic stimulus and mechanical pumping, the desired chemical release rate can easily be realized. For example, the dose release experimental data was well fitted by a mathematical sigmoidal model, exhibiting a typical dose-response relationship, which shows promise in providing significant guidance for on-demand drug delivery. To test the platform’s feasibility, our microfluidic device was employed in an experiment involving Escherichia coli culture under controlled antibiotic ciprofloxacin exposure, and the expected outcomes were successfully obtained. Our experimental results indicate that such a microfluidic device, with high accuracy and easy manipulation properties, can legitimately be characterized as active chemical release system.

Microfluidic Device for Controllable Chemical Release via Field-Actuated Membrane Incorporating Nanoparticles

KAUST Repository

Wang, Xiang; Li, Shunbo; Wang, Limu; Yi, Xin; Hui, Yu Sanna; Qin, Jianhua; Wen, Weijia

2013-01-01

We report a robust magnetic-membrane-based microfluidic platform for controllable chemical release. The magnetic membrane was prepared by mixing polydimethylsiloxane (PDMS) and carbonyl-iron nanoparticles together to obtain a flexible thin film. With combined, simultaneous regulation of magnetic stimulus and mechanical pumping, the desired chemical release rate can easily be realized. For example, the dose release experimental data was well fitted by a mathematical sigmoidal model, exhibiting a typical dose-response relationship, which shows promise in providing significant guidance for on-demand drug delivery. To test the platform’s feasibility, our microfluidic device was employed in an experiment involving Escherichia coli culture under controlled antibiotic ciprofloxacin exposure, and the expected outcomes were successfully obtained. Our experimental results indicate that such a microfluidic device, with high accuracy and easy manipulation properties, can legitimately be characterized as active chemical release system.

Microfluidic Device for Controllable Chemical Release via Field-Actuated Membrane Incorporating Nanoparticles

KAUST Repository

Wang, Xiang

2013-01-01

We report a robust magnetic-membrane-based microfluidic platform for controllable chemical release. The magnetic membrane was prepared by mixing polydimethylsiloxane (PDMS) and carbonyl-iron nanoparticles together to obtain a flexible thin film. With combined, simultaneous regulation of magnetic stimulus and mechanical pumping, the desired chemical release rate can easily be realized. For example, the dose release experimental data was well fitted by a mathematical sigmoidal model, exhibiting a typical dose-response relationship, which shows promise in providing significant guidance for on-demand drug delivery. To test the platform’s feasibility, our microfluidic device was employed in an experiment involving Escherichia coli culture under controlled antibiotic ciprofloxacin exposure, and the expected outcomes were successfully obtained. Our experimental results indicate that such a microfluidic device, with high accuracy and easy manipulation properties, can legitimately be characterized as active chemical release system.

Calcium and chemical looping technology for power generation and carbon dioxide (CO2) capture solid oxygen- and CO2-carriers

CERN Document Server