75 FR 9437 - Wacker Chemical Corporation Wacker Polymers Division a Subsidiary of Wacker Chemie AG Including...

Science.gov (United States)

2010-03-02

... Chemical Corporation Wacker Polymers Division a Subsidiary of Wacker Chemie AG Including On-Site Leased.... and Yoh Managed Staffing South Brunswick, NJ; Wacker Chemical Corporation Wacker Polymers Division a... of Wacker Chemical Corporation, Wacker Polymers Division, a subsidiary of Wacker Chemie AG, including...

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.

Chemical and geotechnical analyses of soil samples from Olkiluoto for studies on sorption in soils

International Nuclear Information System (INIS)

Lusa, M.; Aemmaelae, K.; Hakanen, M.; Lehto, J.; Lahdenperae, A.-M.

2009-05-01

The safety assessment of disposal of spent nuclear fuel will include an estimate on the behavior of nuclear waste nuclides in the biosphere. As a part of this estimate also the transfer of nuclear waste nuclides in the soil and sediments is to be considered. In this study soil samples were collected from three excavator pits in Olkiluoto and the geotechnical and chemical characteristics of the samples were determined. In later stage these results will be used in sorption tests. Aim of these tests is to determine the Kd-values for Cs, Tc and I and later for Mo, Nb and Cl. Results of these sorption tests will be reported later. The geotechnical characteristics studied included dry weight and organic matter content as well as grain size distribution and mineralogy analyses. Selective extractions were carried out to study the sorption of cations into different mineral types. The extractions included five steps in which the cations bound to exchangeable, carbonate, oxides of Fe and Mn, organic matter and residual fractions were determined. For all fractions ICPMS analyses were carried out. In these analyses Li, Na, Mg, K, Ca, Cr, Mn, Fe, Co, Ni, Cu, Zn, As, Se, Sr, Mo, Cd, Cs and Pb were determined. In addition six profiles were taken from the surroundings of two excavator pits for the 137 Cs determination. Besides the samples taken for the characterization of soil, supplement samples were taken from the same layers for the separation of soil water. From the soil water pH, DOC, anions (F, Cl, NO 3 , SO 4 ) and cations (Na, Mg, K, Ca, Al, Cr, Mn, Fe, Ni, Cu, Zn, As, S, Cd, Cs, Pb, U) were determined. (orig.)

Using US EPA’s Chemical Safety for Sustainability’s Comptox Chemistry Dashboard and Tools for Bioactivity, Chemical and Toxicokinetic Modeling Analyses (Course at 2017 ISES Annual Meeting)

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Title: Using US EPA’s Chemical Safety for Sustainability’s Comptox Chemistry Dashboard and Tools for Bioactivity, Chemical and Toxicokinetic Modeling Analyses • Class format: half-day (4 hours) • Course leader(s): Barbara A. Wetmore and Antony J. Williams,...

Harmonisation of food consumption data format for dietary exposure assessments of chemicals analysed in raw agricultural commodities

DEFF Research Database (Denmark)

Boon, Polly E.; Ruprich, Jiri; Petersen, Annette

2009-01-01

In this paper, we present an approach to format national food consumption data at raw agricultural commodity (RAC) level. In this way, the data is both formatted in a harmonised way given the comparability of RACs between countries, and suitable to assess the dietary exposure to chemicals analysed......, and the use of the FAO/WHO Codex Classification system of Foods and Animal Feeds to harmonise the classification. We demonstrate that this approach works well for pesticides and glycoalkaloids, and is an essential step forward in the harmonisation of risk assessment procedures within Europe when addressing...... chemicals analysed in RACs by all national food control systems....

Chemical analyses of wasp-associated streptomyces bacteria reveal a prolific potential for natural products discovery.

Directory of Open Access Journals (Sweden)

Michael Poulsen

2011-02-01

Full Text Available Identifying new sources for small molecule discovery is necessary to help mitigate the continuous emergence of antibiotic-resistance in pathogenic microbes. Recent studies indicate that one potentially rich source of novel natural products is Actinobacterial symbionts associated with social and solitary Hymenoptera. Here we test this possibility by examining two species of solitary mud dauber wasps, Sceliphron caementarium and Chalybion californicum. We performed enrichment isolations from 33 wasps and obtained more than 200 isolates of Streptomyces Actinobacteria. Chemical analyses of 15 of these isolates identified 11 distinct and structurally diverse secondary metabolites, including a novel polyunsaturated and polyoxygenated macrocyclic lactam, which we name sceliphrolactam. By pairing the 15 Streptomyces strains against a collection of fungi and bacteria, we document their antifungal and antibacterial activity. The prevalence and anti-microbial properties of Actinobacteria associated with these two solitary wasp species suggest the potential role of these Streptomyces as antibiotic-producing symbionts, potentially helping defend their wasp hosts from pathogenic microbes. Finding phylogenetically diverse and chemically prolific Actinobacteria from solitary wasps suggests that insect-associated Actinobacteria can provide a valuable source of novel natural products of pharmaceutical interest.

Finite element modeling of contaminant transport in soils including the effect of chemical reactions.

Science.gov (United States)

Javadi, A A; Al-Najjar, M M

2007-05-17

The movement of chemicals through soils to the groundwater is a major cause of degradation of water resources. In many cases, serious human and stock health implications are associated with this form of pollution. Recent studies have shown that the current models and methods are not able to adequately describe the leaching of nutrients through soils, often underestimating the risk of groundwater contamination by surface-applied chemicals, and overestimating the concentration of resident solutes. Furthermore, the effect of chemical reactions on the fate and transport of contaminants is not included in many of the existing numerical models for contaminant transport. In this paper a numerical model is presented for simulation of the flow of water and air and contaminant transport through unsaturated soils with the main focus being on the effects of chemical reactions. The governing equations of miscible contaminant transport including advection, dispersion-diffusion and adsorption effects together with the effect of chemical reactions are presented. The mathematical framework and the numerical implementation of the model are described in detail. The model is validated by application to a number of test cases from the literature and is then applied to the simulation of a physical model test involving transport of contaminants in a block of soil with particular reference to the effects of chemical reactions. Comparison of the results of the numerical model with the experimental results shows that the model is capable of predicting the effects of chemical reactions with very high accuracy. The importance of consideration of the effects of chemical reactions is highlighted.

Advanced exergy-based analyses applied to a system including LNG regasification and electricity generation

Energy Technology Data Exchange (ETDEWEB)

Morosuk, Tatiana; Tsatsaronis, George; Boyano, Alicia; Gantiva, Camilo [Technische Univ. Berlin (Germany)

2012-07-01

Liquefied natural gas (LNG) will contribute more in the future than in the past to the overall energy supply in the world. The paper discusses the application of advanced exergy-based analyses to a recently developed LNG-based cogeneration system. These analyses include advanced exergetic, advanced exergoeconomic, and advanced exergoenvironmental analyses in which thermodynamic inefficiencies (exergy destruction), costs, and environmental impacts have been split into avoidable and unavoidable parts. With the aid of these analyses, the potentials for improving the thermodynamic efficiency and for reducing the overall cost and the overall environmental impact are revealed. The objectives of this paper are to demonstrate (a) the potential for generating electricity while regasifying LNG and (b) some of the capabilities associated with advanced exergy-based methods. The most important subsystems and components are identified, and suggestions for improving them are made. (orig.)

Computational and experimental analyses of the wave propagation through a bar structure including liquid-solid interface

Energy Technology Data Exchange (ETDEWEB)

Park, Sang Jin [UST Graduate School, Daejeon (Korea, Republic of); Rhee, Hui Nam [Division of Mechanical and Aerospace Engineering, Sunchon National University, Sunchon (Korea, Republic of); Yoon, Doo Byung; Park, Jin Ho [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2015-08-15

In this research, we study the propagation of longitudinal and transverse waves through a metal rod including a liquid layer using computational and experimental analyses. The propagation characteristics of longitudinal and transverse waves obtained by the computational and experimental analyses were consistent with the wave propagation theory for both cases, that is, the homogeneous metal rod and the metal rod including a liquid layer. The fluid-structure interaction modeling technique developed for the computational wave propagation analysis in this research can be applied to the more complex structures including solid-liquid interfaces.

Development of a fully automated open-column chemical-separation system—COLUMNSPIDER—and its application to Sr-Nd-Pb isotope analyses of igneous rock samples

Science.gov (United States)

Miyazaki, Takashi; Vaglarov, Bogdan Stefanov; Takei, Masakazu; Suzuki, Masahiro; Suzuki, Hiroaki; Ohsawa, Kouzou; Chang, Qing; Takahashi, Toshiro; Hirahara, Yuka; Hanyu, Takeshi; Kimura, Jun-Ichi; Tatsumi, Yoshiyuki

A fully automated open-column resin-bed chemical-separation system, named COLUMNSPIDER, has been developed. The system consists of a programmable micropipetting robot that dispenses chemical reagents and sample solutions into an open-column resin bed for elemental separation. After the initial set up of resin columns, chemical reagents, and beakers for the separated chemical components, all separation procedures are automated. As many as ten samples can be eluted in parallel in a single automated run. Many separation procedures, such as radiogenic isotope ratio analyses for Sr and Nd, involve the use of multiple column separations with different resin columns, chemical reagents, and beakers of various volumes. COLUMNSPIDER completes these separations using multiple runs. Programmable functions, including the positioning of the micropipetter, reagent volume, and elution time, enable flexible operation. Optimized movements for solution take-up and high-efficiency column flushing allow the system to perform as precisely as when carried out manually by a skilled operator. Procedural blanks, examined for COLUMNSPIDER separations of Sr, Nd, and Pb, are low and negligible. The measured Sr, Nd, and Pb isotope ratios for JB-2 and Nd isotope ratios for JB-3 and BCR-2 rock standards all fall within the ranges reported previously in high-accuracy analyses. COLUMNSPIDER is a versatile tool for the efficient elemental separation of igneous rock samples, a process that is both labor intensive and time consuming.

Dental caries and chemical analyses in reconstruction of diet, health and hygienic behaviour in the Middle Euphrates valley (Syria).

Science.gov (United States)

Tomczyk, Jacek; Szostek, Krzysztof; Komarnitki, Iulian; Mańkowska-Pliszka, Hanna; Zalewska, Marta

2013-06-01

The aim of this study was to use two methods, biological and chemical, to examine changes in diet and health in individuals from the Middle Euphrates valley (Syria). We determined the frequency distribution of dental caries. Chemical analyses were concerned with the presence of elements such as strontium, barium, calcium and stable carbon isotopes ((13)C/(14)C). We chose three consecutive periods: Late Roman (2nd-4th century AD), Islamic (600-1200 AD) and Modern Islamic (1850-1950 AD). We analysed the dental remains of 145 individuals, with a total of 2530 teeth. We used visual research (magnifying glass/sharp dental probe) and radiography. The frequencies of caries were calculated on the basis of the proportional correction factor of Erdal and Duyar. We chose 39 permanent second molars for chemical analyses. The frequency of carious lesions was similar in all three periods (6-8%). In the Modern Islamic and Islamic periods, occlusal surfaces were infected with caries most often, while the cemento-enamel junction (CEJ) and approximal surfaces were affected to a lesser degree. However, in the Late Roman period, the CEJ and approximal surfaces showed caries most frequently, in contrast to occlusal surfaces, which seldom showed signs of caries. Chemical analyses showed lower Sr/Ca ratios and Observed Ratio index values for the Modern Islamic and higher values for the Islamic and Late Roman periods. Mean stable isotope (δ(13)C) analyses demonstrated that the Modern Islamic period was strongly divergent from the other periods. These data suggest a similar socio-economic status during the Late Roman and Islamic periods. The diet of the population living in the Late Roman and Islamic periods contained a larger number of products containing strontium than calcium. In the modern population these proportions have been reversed. Copyright © 2013 Elsevier Ltd. All rights reserved.

Evaluation of Two Surface Sampling Methods for Microbiological and Chemical Analyses To Assess the Presence of Biofilms in Food Companies.

Science.gov (United States)

Maes, Sharon; Huu, Son Nguyen; Heyndrickx, Marc; Weyenberg, Stephanie van; Steenackers, Hans; Verplaetse, Alex; Vackier, Thijs; Sampers, Imca; Raes, Katleen; Reu, Koen De

2017-12-01

Biofilms are an important source of contamination in food companies, yet the composition of biofilms in practice is still mostly unknown. The chemical and microbiological characterization of surface samples taken after cleaning and disinfection is very important to distinguish free-living bacteria from the attached bacteria in biofilms. In this study, sampling methods that are potentially useful for both chemical and microbiological analyses of surface samples were evaluated. In the manufacturing facilities of eight Belgian food companies, surfaces were sampled after cleaning and disinfection using two sampling methods: the scraper-flocked swab method and the sponge stick method. Microbiological and chemical analyses were performed on these samples to evaluate the suitability of the sampling methods for the quantification of extracellular polymeric substance components and microorganisms originating from biofilms in these facilities. The scraper-flocked swab method was most suitable for chemical analyses of the samples because the material in these swabs did not interfere with determination of the chemical components. For microbiological enumerations, the sponge stick method was slightly but not significantly more effective than the scraper-flocked swab method. In all but one of the facilities, at least 20% of the sampled surfaces had more than 10 2 CFU/100 cm 2 . Proteins were found in 20% of the chemically analyzed surface samples, and carbohydrates and uronic acids were found in 15 and 8% of the samples, respectively. When chemical and microbiological results were combined, 17% of the sampled surfaces were contaminated with both microorganisms and at least one of the analyzed chemical components; thus, these surfaces were characterized as carrying biofilm. Overall, microbiological contamination in the food industry is highly variable by food sector and even within a facility at various sampling points and sampling times.

Chemical analyses in the World Coal Quality Inventory

Science.gov (United States)

Tewalt, Susan J.; Belkin, Harvey E.; SanFilipo, John R.; Merrill, Matthew D.; Palmer, Curtis A.; Warwick, Peter D.; Karlsen, Alexander W.; Finkelman, Robert B.; Park, Andy J.

2010-01-01

The main objective of the World Coal Quality Inventory (WoCQI) was to collect and analyze a global set of samples of mined coal during a time period from about 1995 to 2006 (Finkelman and Lovern, 2001). Coal samples were collected by foreign collaborators and submitted to country specialists in the U.S. Geological Survey (USGS) Energy Program. However, samples from certain countries, such as Afghanistan, India, and Kyrgyzstan, were collected collaboratively in the field with USGS personnel. Samples were subsequently analyzed at two laboratories: the USGS Inorganic Geochemistry Laboratory located in Denver, CO and a commercial laboratory (Geochemical Testing, Inc.) located in Somerset, PA. Thus the dataset, which is in Excel (2003) format and includes 1,580 samples from 57 countries, does not have the inter-laboratory variability that is present in many compilations. Major-, minor-, and trace-element analyses from the USGS laboratory, calculated to a consistent analytical basis (dry, whole-coal) and presented with available sample identification information, are sorted alphabetically by country name. About 70 percent of the samples also have data from the commercial laboratory, which are presented on an as-received analytical basis. The USGS initiated a laboratory review of quality assurance in 2008, covering quality control and methodology used in inorganic chemical analyses of coal, coal power plant ash, water, and sediment samples. This quality control review found that data generated by the USGS Inorganic Geochemistry Laboratory from 1996 through 2006 were characterized by quality practices that did not meet USGS requirements commonly in use at the time. The most serious shortcomings were (1) the adjustment of raw sample data to standards when the instrument values for those standards exceeded acceptable limits or (2) the insufficient use of multiple standards to provide adequate quality assurance. In general, adjustment of raw data to account for instrument

Chemical analyses of wasp-associated streptomyces bacteria reveal a prolific potential for natural products discovery

DEFF Research Database (Denmark)

Poulsen, Michael; Oh, Dong-Chan; Clardy, Jon

2011-01-01

and solitary Hymenoptera. Here we test this possibility by examining two species of solitary mud dauber wasps, Sceliphron caementarium and Chalybion californicum. We performed enrichment isolations from 33 wasps and obtained more than 200 isolates of Streptomyces Actinobacteria. Chemical analyses of 15...... and antibacterial activity. The prevalence and anti-microbial properties of Actinobacteria associated with these two solitary wasp species suggest the potential role of these Streptomyces as antibiotic-producing symbionts, potentially helping defend their wasp hosts from pathogenic microbes. Finding...... phylogenetically diverse and chemically prolific Actinobacteria from solitary wasps suggests that insect-associated Actinobacteria can provide a valuable source of novel natural products of pharmaceutical interest....

Carbon speciation in ash, residual waste and contaminated soil by thermal and chemical analyses.

Science.gov (United States)

Kumpiene, Jurate; Robinson, Ryan; Brännvall, Evelina; Nordmark, Désirée; Bjurström, Henrik; Andreas, Lale; Lagerkvist, Anders; Ecke, Holger

2011-01-01

Carbon in waste can occur as inorganic (IC), organic (OC) and elemental carbon (EC) each having distinct chemical properties and possible environmental effects. In this study, carbon speciation was performed using thermogravimetric analysis (TGA), chemical degradation tests and the standard total organic carbon (TOC) measurement procedures in three types of waste materials (bottom ash, residual waste and contaminated soil). Over 50% of the total carbon (TC) in all studied materials (72% in ash and residual waste, and 59% in soil) was biologically non-reactive or EC as determined by thermogravimetric analyses. The speciation of TOC by chemical degradation also showed a presence of a non-degradable C fraction in all materials (60% of TOC in ash, 30% in residual waste and 13% in soil), though in smaller amounts than those determined by TGA. In principle, chemical degradation method can give an indication of the presence of potentially inert C in various waste materials, while TGA is a more precise technique for C speciation, given that waste-specific method adjustments are made. The standard TOC measurement yields exaggerated estimates of organic carbon and may therefore overestimate the potential environmental impacts (e.g. landfill gas generation) of waste materials in a landfill environment. Copyright © 2010 Elsevier Ltd. All rights reserved.

Treatment of spices with ionizing radiation - chemical, organoleptical, microbiological and toxicological analyses. Pt. 2

International Nuclear Information System (INIS)

Schuettler, C.; Boegl, W.

1984-09-01

In the present second part of a study of the relevant literature the results of tests on 14 radiation treated spices and 2 radiation treated spice-mixtures were evaluated. The tests in this part contain mainly toxicological but also chemical and sensorial analyses. Most of the spices were treated with gamma radiation from cobalt-60 sources with doses between 80 Gy and 60 kGy. This part contains a cumulated subject index for part 1 and part 2. (orig./AJ) [de

Evaluation Of Plutonium Oxide Destructive Chemical Analyses For Validity Of Original 3013 Container Binning

International Nuclear Information System (INIS)

Mcclard, J.; Kessinger, G.

2010-01-01

The surveillance program for 3013 containers is based, in part, on the separation of containers into various bins related to potential container failure mechanisms. The containers are assigned to bins based on moisture content and pre-storage estimates of content chemistry. While moisture content is measured during the packaging of each container, chemistry estimates are made by using a combination of process knowledge, packaging data and prompt gamma analyses to establish the moisture and chloride/fluoride content of the materials. Packages with high moisture and chloride/fluoride contents receive more detailed surveillances than packages with less chloride/fluoride and/or moisture. Moisture verification measurements and chemical analyses performed during the surveillance program provided an opportunity to validate the binning process. Validation results demonstrated that the binning effort was generally successful in placing the containers in the appropriate bin for surveillance and analysis.

Computational Analyses of Complex Flows with Chemical Reactions

Science.gov (United States)

Bae, Kang-Sik

The heat and mass transfer phenomena in micro-scale for the mass transfer phenomena on drug in cylindrical matrix system, the simulation of oxygen/drug diffusion in a three dimensional capillary network, and a reduced chemical kinetic modeling of gas turbine combustion for Jet propellant-10 have been studied numerically. For the numerical analysis of the mass transfer phenomena on drug in cylindrical matrix system, the governing equations are derived from the cylindrical matrix systems, Krogh cylinder model, which modeling system is comprised of a capillary to a surrounding cylinder tissue along with the arterial distance to veins. ADI (Alternative Direction Implicit) scheme and Thomas algorithm are applied to solve the nonlinear partial differential equations (PDEs). This study shows that the important factors which have an effect on the drug penetration depth to the tissue are the mass diffusivity and the consumption of relevant species during the time allowed for diffusion to the brain tissue. Also, a computational fluid dynamics (CFD) model has been developed to simulate the blood flow and oxygen/drug diffusion in a three dimensional capillary network, which are satisfied in the physiological range of a typical capillary. A three dimensional geometry has been constructed to replicate the one studied by Secomb et al. (2000), and the computational framework features a non-Newtonian viscosity model for blood, the oxygen transport model including in oxygen-hemoglobin dissociation and wall flux due to tissue absorption, as well as an ability to study the diffusion of drugs and other materials in the capillary streams. Finally, a chemical kinetic mechanism of JP-10 has been compiled and validated for a wide range of combustion regimes, covering pressures of 1atm to 40atm with temperature ranges of 1,200 K--1,700 K, which is being studied as a possible Jet propellant for the Pulse Detonation Engine (PDE) and other high-speed flight applications such as hypersonic

Historical Weathering Based on Chemical Analyses of Two Spodosols in Southern Sweden

International Nuclear Information System (INIS)

Melkerud, Per-Arne; Bain, Derek C.; Olsson, Mats T.

2003-01-01

Chemical weathering losses were calculated for two conifer stands in relation to ongoing studies on liming effects and ash amendments on chemical status, soil solution chemistry and soil genesis. Weathering losses were based on elemental depletion trends in soil profiles since deglaciation and exposure to the weathering environment. Gradients in total geochemical composition were assumed to reflect alteration over time. Study sites were Horroed and Hassloev in southern Sweden. Both Horroed and Hassloev sites are located on sandy loamy Weichselian till at an altitude of 85 and 190 m a.s.l., respectively. Aliquots from volume determined samples from a number of soil levels were fused with lithium metaborate, dissolved in HNO 3 , and analysed by ICP - AES. Results indicated highest cumulative weathering losses at Hassloev. The weathering losses for the elements are in the following order:Si > Al > K > Na > Ca > MgTotal annual losses for Ca+Mg+K+Na, expressed in mmol c m -2 yr -1 , amounted to c. 28 and 58 at Horroed and Hassloev, respectively. Variations between study sites could not be explained by differences in bulk density, geochemistry or mineralogy. The accumulated weathering losses since deglaciation were larger in the uppermost 15 cm than in deeper B horizons for most elements studied

Impact of supersonic and subsonic aircraft on ozone: Including heterogeneous chemical reaction mechanisms

International Nuclear Information System (INIS)

Kinnison, D.E.; Wuebbles, D.J.

1992-01-01

Preliminary calculations suggest that heterogeneous reactions are important in calculating the impact on ozone from emissions of trace gases from aircraft fleets. In this study, three heterogeneous chemical processes that occur on background sulfuric acid aerosols are included and their effects on O 3 , NO x , Cl x , HCl, N 2 O 5 , ClONO 2 are calculated

Development and the physical, chemical, microbiological and sensory analyses of red pepper seasoned with parmesan cheese - doi: 10.4025/actascitechnol.v35i3.12794

Directory of Open Access Journals (Sweden)

Gisele Teixeira de Souza Sora

2013-06-01

Full Text Available Pickles comprising red pepper seasoned with Parmesan cheese has been developed as a new type of product developed by family cottage industries. Two formulations were prepared, or rather, with and without the preservative potassium sorbate, which underwent several physical, chemical, microbiological and sensory analyses. Physical and chemical analyses were undertaken for acidity, pH and °Brix; microbiological analyses for total heat-tolerant coliforms, Salmonella sp, molds, yeasts; sensory aspects such as physical features, aroma, flavor and texture, coupled to purchase intention among tasters were investigated. Both formulations comprised physical, chemical and microbiological parameters within standards. Sensory evaluation showed satisfactory results and research on purchase intention showed approximately 80% acceptability. Results from physical, chemical and microbiological tests showed that pickled pepper seasoned with Parmesan cheese may be prepared with citric acid as a preservative. Sensory evaluation and purchase intention indicate a real production and sale possibility of pickled peppers seasoned with Parmesan cheese by family cottage industries.  

Chemometrics as a tool to analyse complex chemical mixtures

DEFF Research Database (Denmark)

Christensen, J. H.

Chemical characterisation of contaminant mixtures is important for environmental forensics and risk assessment. The great challenge in future research lies in develop- ing suitable, rapid, reliable and objective methods for analysis of the composition of complex chemical mixtures. This thesis...... describes the development of such methods for assessing the identity (chemical fingerprinting) and fate (e.g. biodegradation) of petroleum hydrocarbon mixtures. The methods comply with the general concept that suitable methods must be rapid and inexpensive, objective with limited human in- tervention...... and at the same time must consider a substantial fraction of compounds in the complex mixture. A combination of a) limited sample preparation, b) rapid chemical screening analysis, c) fast and semi-automatic pre-processing, d) compre- hensive multivariate statistical data analysis and e) objective data evaluation...

The role of chemical engineering in medicinal research including Alzheimer's.

Science.gov (United States)

Kontogeorgis, Georgios M

2015-01-01

Various disciplines of chemical engineering, especially thermodynamics and kinetics, play an important role in medicinal research and this has been particularly recognized during the last 10-15 years (von Stockar and van der Wielen, J Biotechnol 59:25, 1997; Prausnitz, Fluid Phase Equilib 53:439, 1989; Prausnitz, Pure Appl Chem 79:1435, 2007; Dey and Prausnitz, Ind Eng Chem Res 50:3, 2011; Prausnitz, J Chem Thermodynamics 35:21, 2003; Tsivintzelis et al. AIChE J 55:756, 2009). It is expected that during the twenty-first century chemical engineering and especially thermodynamics can contribute as significantly to the life sciences development as it has been done with the oil and gas and chemical sectors in the twentieth century. Moreover, it has during the recent years recognized that thermodynamics can help in understanding diseases like human cataract, sickle-cell anemia, Creuzfeldt-Jacob ("mad cow" disease), and Alzheimer's which are connected to "protein aggregation." Several articles in the Perspectives section of prominent chemical engineering journals have addressed this issue (Hall, AIChE J 54:1956, 2008; Vekilov, AIChE J 54:2508, 2008). This work reviews recent applications of thermodynamics (and other areas of chemical engineering) first in drug development and then in the understanding of the mechanism of Alzheimer's and similar diseases.

Chemical equilibrium of ablation materials including condensed species

Science.gov (United States)

Stroud, C. W.; Brinkley, K. L.

1975-01-01

Equilibrium is determined by finding chemical composition with minimum free energy. Method of steepest descent is applied to quadratic representation of free-energy surface. Solution is initiated by selecting arbitrary set of mole fractions, from which point on free-energy surface is computed.

Occupational allergic contact dermatitis caused by sterile non-latex protective gloves: clinical investigation and chemical analyses.

Science.gov (United States)

Pontén, Ann; Hamnerius, Nils; Bruze, Magnus; Hansson, Christer; Persson, Christina; Svedman, Cecilia; Thörneby Andersson, Kirsten; Bergendorff, Ola

2013-02-01

An increased frequency of occupational contact hand dermatitis among surgical operating theatre personnel has been noticed. To evaluate patients with occupational contact dermatitis caused by their rubber gloves, and to describe a method for analysing the content of the allergens in the gloves. Patch tests were performed with the baseline series, a rubber chemical series, and the patients' own gloves. A method for analysing 1,3-diphenylguanidine (DPG) and cetylpyridinium chloride in the gloves was developed. Contact allergy to thiuram mix was found in 8 of 16 patients, whereas 12 of 16 patients reacted to DPG. In 7 of 8 patients, contact allergy to cetylpyridinium chloride was found. In the patients' gloves, cetylpyridinium chloride and DPG were detected at higher concentrations on the inside of the gloves than on the outside. Most patients had worked for decades in their present occupations, but their hand dermatitis had only been present for months. Contact allergy to DPG in gloves has been disputed, but, in this study, we were able to confirm the presence of DPG and cetylpyridinium chloride in the causative gloves by using a modified method for the analysis. The presence of these chemicals in gloves caused an increase in occupational contact dermatitis in surgical operating theatre personnel. © 2012 John Wiley & Sons A/S.

Metal and physico-chemical variations at a hydroelectric reservoir analyzed by Multivariate Analyses and Artificial Neural Networks: environmental management and policy/decision-making tools.

Science.gov (United States)

Cavalcante, Y L; Hauser-Davis, R A; Saraiva, A C F; Brandão, I L S; Oliveira, T F; Silveira, A M

2013-01-01

This paper compared and evaluated seasonal variations in physico-chemical parameters and metals at a hydroelectric power station reservoir by applying Multivariate Analyses and Artificial Neural Networks (ANN) statistical techniques. A Factor Analysis was used to reduce the number of variables: the first factor was composed of elements Ca, K, Mg and Na, and the second by Chemical Oxygen Demand. The ANN showed 100% correct classifications in training and validation samples. Physico-chemical analyses showed that water pH values were not statistically different between the dry and rainy seasons, while temperature, conductivity, alkalinity, ammonia and DO were higher in the dry period. TSS, hardness and COD, on the other hand, were higher during the rainy season. The statistical analyses showed that Ca, K, Mg and Na are directly connected to the Chemical Oxygen Demand, which indicates a possibility of their input into the reservoir system by domestic sewage and agricultural run-offs. These statistical applications, thus, are also relevant in cases of environmental management and policy decision-making processes, to identify which factors should be further studied and/or modified to recover degraded or contaminated water bodies. Copyright © 2012 Elsevier B.V. All rights reserved.

Physico-chemical analyses and corrosion effect of produced water ...

African Journals Online (AJOL)

Physico-chemical characteristics of the composite produced water sample used for the study has a higher concentration compared with DPR standard for discharge of produced formation water into surface environment. It was assumed that the corrosion of the coupons was due to presence of high chemical matters in the ...

Chemical countermeasures: Dispersants overview of dispersant use (including application) and research issues

International Nuclear Information System (INIS)

Butler, J.N.

1992-01-01

I will attempt in twenty minutes to summarize the state of research on oil spill dispersants as I perceive it. The expertise I bring to this task includes 20 years of experience with the fate and effects of petroleum in the marine environment, including participation in the 1973 and 1981 NRC studies and three years as chairman of the NRC committee on oil spill dispersants. I More recently I served on a committee of the International Maritime Organization which reviewed the open-quotes Impact of oil and related chemicals and wastes on the marine environment.close quotes That report will be published this year. However, my statements in this paper are not made as a representative of either NRC or IMO. They are my own interpretation of scientific literature cited in the above reviews. Dispersants are chemical formulations, which include surface active agents, designed to decrease the interfacial tension between oil and water. Because the first attempts to disperse oil on a large scale, at the Torrey Canyon spill of 1967, used highly toxic degreasing agents, dispersants have an undeserved reputation for toxicity. In fact, for twenty years dispersant formulations have been developed with an emphasis on reducing their toxicity to marine life. The dispersal of oil in water has been documented in the laboratory by dozens of papers (see references in NRC 1989, pp 70-79), and in the field by dozens of studies (NRC 1989, pp 165- 193). The toxicity of commercial dispersant formulations (NRC 1989, pp 81-123) and dispersed oil (NRC 1989, pp 123-147) has been tested on a wide variety of marine organisms ranging from algae to salmonid fishes. The NRC review has been updated by the IMO/GESAMP (1992) study, but the conclusions remain unchanged

Preliminary analyses on hydrogen diffusion through small break of thermo-chemical IS process hydrogen plant

International Nuclear Information System (INIS)

Somolova, Marketa; Terada, Atsuhiko; Takegami, Hiroaki; Iwatsuki, Jin

2008-12-01

Japan Atomic Energy Agency has been conducting a conceptual design study of nuclear hydrogen demonstration plant, that is, a thermal-chemical IS process hydrogen plant coupled with the High temperature Engineering Test Reactor (HTTR-IS), which will be planed to produce a large amount of hydrogen up to 1000m 3 /h. As part of the conceptual design work of the HTTR-IS system, preliminary analyses on small break of a hydrogen pipeline in the IS process hydrogen plant was carried out as a first step of the safety analyses. This report presents analytical results of hydrogen diffusion behaviors predicted with a CFD code, in which a diffusion model focused on the turbulent Schmidt number was incorporated. By modifying diffusion model, especially a constant accompanying the turbulent Schmidt number in the diffusion term, analytical results was made agreed well with the experimental results. (author)

Correlation and regression analyses of genetic effects for different types of cells in mammals under radiation and chemical treatment

International Nuclear Information System (INIS)

Slutskaya, N.G.; Mosseh, I.B.

2006-01-01

Data about genetic mutations under radiation and chemical treatment for different types of cells have been analyzed with correlation and regression analyses. Linear correlation between different genetic effects in sex cells and somatic cells have found. The results may be extrapolated on sex cells of human and mammals. (authors)

Biological Sampling and Analysis in Sinclair and Dyes Inlets, Washington: Chemical Analyses for 2007 Puget Sound Biota Study

Energy Technology Data Exchange (ETDEWEB)

Brandenberger, Jill M.; Suslick, Carolynn R.; Johnston, Robert K.

2008-10-09

Evaluating spatial and temporal trends in contaminant residues in Puget Sound fish and macroinvertebrates are the objectives of the Puget Sound Ambient Monitoring Program (PSAMP). In a cooperative effort between the ENVironmental inVESTment group (ENVVEST) and Washington State Department of Fish and Wildlife, additional biota samples were collected during the 2007 PSAMP biota survey and analyzed for chemical residues and stable isotopes of carbon (δ13C) and nitrogen (δ15N). Approximately three specimens of each species collected from Sinclair Inlet, Georgia Basin, and reference locations in Puget Sound were selected for whole body chemical analysis. The muscle tissue of specimens selected for chemical analyses were also analyzed for δ13C and δ15N to provide information on relative trophic level and food sources. This data report summarizes the chemical residues for the 2007 PSAMP fish and macro-invertebrate samples. In addition, six Spiny Dogfish (Squalus acanthias) samples were necropsied to evaluate chemical residue of various parts of the fish (digestive tract, liver, embryo, muscle tissue), as well as, a weight proportional whole body composite (WBWC). Whole organisms were homogenized and analyzed for silver, arsenic, cadmium, chromium, copper, nickel, lead, zinc, mercury, 19 polychlorinated biphenyl (PCB) congeners, PCB homologues, percent moisture, percent lipids, δ13C, and δ15N.

Combining hydraulic model, hydrogeomorphological observations and chemical analyses of surface waters to improve knowledge on karst flash floods genesis

Directory of Open Access Journals (Sweden)

F. Raynaud

2015-06-01

Full Text Available During a flood event over a karst watershed, the connections between surface and ground waters appear to be complex ones. The karst may attenuate surface floods by absorbing water or contribute to the surface flood by direct contribution of karst waters in the rivers (perennial and overflowing springs and by diffuse resurgence along the hillslopes. If it is possible to monitor each known outlet of a karst system, the diffuse contribution is yet difficult to assess. Furthermore, all these connections vary over time according to several factors such as the water content of the soil and underground, the rainfall characteristics, the runoff pathways. Therefore, the contribution of each compartment is generally difficult to assess, and flood dynamics are not fully understood. To face these misunderstandings and difficulties, we analysed surface waters during six recent flood events in the Lirou watershed (a karst tributary of the Lez, in South of France. Because of the specific chemical signature of karst waters, chemical analyses can supply information about water pathways and flood dynamics. Then, we used the dilution law to combine chemical results, flow data and field observations to assess the dynamics of the karst component of the flood. To end, we discussed the surface or karst origin of the waters responsible for the apparent runoff coefficient rise during flash karst flood.

Include dispersion in quantum chemical modeling of enzymatic reactions: the case of isoaspartyl dipeptidase.

Science.gov (United States)

Zhang, Hai-Mei; Chen, Shi-Lu

2015-06-09

The lack of dispersion in the B3LYP functional has been proposed to be the main origin of big errors in quantum chemical modeling of a few enzymes and transition metal complexes. In this work, the essential dispersion effects that affect quantum chemical modeling are investigated. With binuclear zinc isoaspartyl dipeptidase (IAD) as an example, dispersion is included in the modeling of enzymatic reactions by two different procedures, i.e., (i) geometry optimizations followed by single-point calculations of dispersion (approach I) and (ii) the inclusion of dispersion throughout geometry optimization and energy evaluation (approach II). Based on a 169-atom chemical model, the calculations show a qualitative consistency between approaches I and II in energetics and most key geometries, demonstrating that both approaches are available with the latter preferential since both geometry and energy are dispersion-corrected in approach II. When a smaller model without Arg233 (147 atoms) was used, an inconsistency was observed, indicating that the missing dispersion interactions are essentially responsible for determining equilibrium geometries. Other technical issues and mechanistic characteristics of IAD are also discussed, in particular with respect to the effects of Arg233.

Savannah River Site RCRA Facility Investigation plan: Road A Chemical Basin

International Nuclear Information System (INIS)

1989-06-01

The nature of wastes disposed of at the Road A Chemical Basin (RACB) is such that some degree of soil contamination is probable. Lead has also been detected in site monitoring wells at concentrations above SRS background levels. A RCRA Facility Investigation (RFI) is proposed for the RACB and will include a ground penetrating radar (GPR) survey, collection and chemical and radiological analyses of soil cores, installation of groundwater monitoring wells, collection and chemical and radiological analyses of groundwater samples, and collection of chemical and radiological analyses of surface water and sediment samples. Upon completion of the proposed RFI field work and chemical and radiological analyses, and RFI report should be prepared to present conclusions on the nature and extent of contamination at the site, and to make recommendations for site remediation. If contamination is detected at concentrations above SRS background levels, a receptor analysis should be done to evaluate potential impacts of site contamination on nearby populations

Landfill mining: Resource potential of Austrian landfills--Evaluation and quality assessment of recovered municipal solid waste by chemical analyses.

Science.gov (United States)

Wolfsberger, Tanja; Aldrian, Alexia; Sarc, Renato; Hermann, Robert; Höllen, Daniel; Budischowsky, Andreas; Zöscher, Andreas; Ragoßnig, Arne; Pomberger, Roland

2015-11-01

Since the need for raw materials in countries undergoing industrialisation (like China) is rising, the availability of metal and fossil fuel energy resources (like ores or coal) has changed in recent years. Landfill sites can contain considerable amounts of recyclables and energy-recoverable materials, therefore, landfill mining is an option for exploiting dumped secondary raw materials, saving primary sources. For the purposes of this article, two sanitary landfill sites have been chosen for obtaining actual data to determine the resource potential of Austrian landfills. To evaluate how pretreating waste before disposal affects the resource potential of landfills, the first landfill site has been selected because it has received untreated waste, whereas mechanically-biologically treated waste was dumped in the second. The scope of this investigation comprised: (1) waste characterisation by sorting analyses of recovered waste; and (2) chemical analyses of specific waste fractions for quality assessment regarding potential energy recovery by using it as solid recovered fuels. The content of eight heavy metals and the net calorific values were determined for the chemical characterisation tests. © The Author(s) 2015.

Toxicity testing and chemical analyses of recycled fibre-based paper for food contact

DEFF Research Database (Denmark)

Binderup, Mona-Lise; Pedersen, Gitte Alsing; Vinggaard, Anne

2002-01-01

of different qualities as food-contact materials and to Perform a preliminary evaluation of their suitability from a safety point of view, and, second, to evaluate the use of different in vitro toxicity tests for screening of paper and board. Paper produced from three different categories of recycled fibres (B...... of the paper products were extracted with either 99% ethanol or water. Potential migrants in the extracts were identified and semiquantified by GC-1R-MS or GC-HRMS. In parallel to the chemical analyses, a battery of four different in vitro toxicity tests with different endpoints were applied to the same...... was less cytotoxic than the extracts prepared from paper made from recycled fibres, and extracts prepared from C was the most cytotoxic. None of the extracts showed mutagenic activity No conclusion about the oestrogenic activity could be made, because all extracts were cytotoxic to the test organism (yeast...

An impedance function approach for soil-structure interaction analyses including structure-to-structure interaction effects

International Nuclear Information System (INIS)

Gantayat, A.; Kamil, H.

1981-01-01

The dynamic soil-structure and structure-to-structure interaction effects may be determined in one of the two ways: by modeling the entire soil-structure system by a finite-element model, or by using a frequency-dependent (or frequency-independent) impedance function approach. In seismic design of nuclear power plant structures, the normal practice is to use the first approach because of its simplicity and easy availability of computer codes to perform such analyses. However, in the finite-element approach, because of the size and cost restrictions, the three-dimensional behavior of the entire soil-structure system and the radiation damping in soil are only approximately included by using a two-dimensional finite-element mesh. In using the impedance function approach, the soil-structure analyses can be performed in four steps: (a) determination of the dynamic properties of the fixed base superstructure, (b) determination of foundation and structure impedance matrices and input motions, (c) evaluation of foundation motion, (d) analysis of the fixed base superstructure using computed foundation motion. (orig./RW)

Oxidation state analyses of uranium with emphasis on chemical speciation in geological media

International Nuclear Information System (INIS)

Ervanne, H.

2004-01-01

This thesis focuses on chemical methods suitable for the determination of uranium redox species in geological materials. Nd-coprecipitation method was studied for the determination of uranium oxidation states in ground waters. This method is ideally suited for the separation of uranium oxidation states in the field, which means that problems associated with the instability of U(IV) during transport are avoided. An alternative method, such as ion exchange, is recommended for the analysis of high saline and calcium- and iron-rich ground waters. U(IV)/Utot was 2.8-7.2% in ground waters in oxidizing conditions and 60-93% in anoxic conditions. From thermodynamic model calculations applied to results from anoxic ground waters it was concluded that uranium can act as redox buffer in granitic ground waters. An ion exchange method was developed for the analysis of uranium oxidation states in different solid materials of geological origin. These included uranium minerals, uraniumbearing minerals, fracture coatings and bulk rock. U(IV)/Utot was 50-70% in uraninites, 5.8-8.7% in secondary uranium minerals, 15-49% in different fracture coatings and 64- 77% in samples from deep bedrock. In the uranium-bearing minerals, U(IV)/Utot was 33-43% (allanites), 5.9% (fergusonite) and 93% (monazite). Although the ion exchange method gave reliable results, there is a risk for the conversion of uranium oxidation states during analysis of heterogeneous samples due to the redox reactions that take place in the presence of some iron compounds. This risk was investigated in a study of several common iron-bearing minerals. The risk for conversion of uranium oxidation states can be screened by sample selection and minimized with use of a redox buffer compound such as polyacrylic acid (PAA). In studies of several carboxylic acids, PAA was found to be the most suitable for extending the application of the method. The stability of uranium oxidation states during analysis and the selectivity

Assessment of wastewater and recycled water quality: a comparison of lines of evidence from in vitro, in vivo and chemical analyses.

Science.gov (United States)

Leusch, Frederic D L; Khan, Stuart J; Gagnon, M Monique; Quayle, Pam; Trinh, Trang; Coleman, Heather; Rawson, Christopher; Chapman, Heather F; Blair, Palenque; Nice, Helen; Reitsema, Tarren

2014-03-01

We investigated water quality at an advanced water reclamation plant and three conventional wastewater treatment plants using an "ecotoxicity toolbox" consisting of three complementary analyses (chemical analysis, in vitro bioanalysis and in situ biological monitoring), with a focus on endocrine disruption. The in vitro bioassays were chosen to provide an appropriately wide coverage of biological effects relevant to managed aquifer recharge and environmental discharge of treated wastewater, and included bioassays for bacterial toxicity (Microtox), genotoxicity (umuC), photosynthesis inhibition (Max-I-PAM) and endocrine effects (E-SCREEN and AR-CALUX). Chemical analysis of hormones and pesticides using LCMSMS was performed in parallel to correlate standard analytical methods with the in vitro assessment. For two plants with surface water discharge into open drains, further field work was carried out to examine in situ effects using mosquitofish (Gambusia holbrooki) as a bioindicator species for possible endocrine effects. The results show considerable cytotoxicity, phytotoxicity, estrogenicity and androgenicity in raw sewage, all of which were significantly reduced by conventional wastewater treatment. No biological response was detected to RO water, suggesting that reverse osmosis is a significant barrier to biologically active compounds. Chemical analysis and in situ monitoring revealed trends consistent with the in vitro results: chemical analysis confirmed the removal trends observed by the bioanalytical tools, and in situ sampling did not reveal any evidence of endocrine disruption specifically due to discharge of treated wastewater (although other sources may be present). Biomarkers of exposure (in vitro) and effect (in vivo or in situ) are complementary and together provide information with a high level of ecological relevance. This study illustrates the utility of combining multiple lines of evidence in the assessment of water quality. Copyright �

Classical evolution and quantum generation in generalized gravity theories including string corrections and tachyons: Unified analyses

International Nuclear Information System (INIS)

Hwang, Jai-chan; Noh, Hyerim

2005-01-01

We present cosmological perturbation theory based on generalized gravity theories including string theory correction terms and a tachyonic complication. The classical evolution as well as the quantum generation processes in these varieties of gravity theories are presented in unified forms. These apply both to the scalar- and tensor-type perturbations. Analyses are made based on the curvature variable in two different gauge conditions often used in the literature in Einstein's gravity; these are the curvature variables in the comoving (or uniform-field) gauge and the zero-shear gauge. Applications to generalized slow-roll inflation and its consequent power spectra are derived in unified forms which include a wide range of inflationary scenarios based on Einstein's gravity and others

The role of chemical engineering in medicinal research including Alzheimer’s

DEFF Research Database (Denmark)

Kontogeorgis, Georgios M.

2015-01-01

Various disciplines of chemical engineering, especially thermodynamics and kinetics, play an important role in medicinal research and this has been particularly recognized during the last 10–15 years (von Stockar and van der Wielen, J Biotechnol 59:25, 1997; Prausnitz, Fluid Phase Equilib 53......:439, 1989; Prausnitz, Pure Appl Chem 79:1435, 2007; Dey and Prausnitz, Ind Eng Chem Res 50:3, 2011; Prausnitz, J Chem Thermodynamics 35:21, 2003; Tsivintzelis et al. AIChE J 55:756, 2009). It is expected that during the twenty-first century chemical engineering and especially thermodynamics can contribute......” disease), and Alzheimer’s which are connected to “protein aggregation.” Several articles in the Perspectives section of prominent chemical engineering journals have addressed this issue (Hall, AIChE J 54:1956, 2008; Vekilov, AIChE J 54:2508, 2008). This work reviews recent applications of thermodynamics...

Poisoned Wine: Regulation, Chemical Analyses, and Spanish-French Trade in the 1930s.

Science.gov (United States)

Suay-Matallana, Ignacio; Guillem-Llobat, Ximo

2018-04-16

This paper describes the resources, scientific spaces, and experts involved in the study of a mass poisoning caused by the drinking of arsenic-contaminated wine exported from Spain to France in 1932. Local and international periodicals record the poisoning of 300 French sailors, and stressed the commercial implications of the case. We discuss the reports prepared by different experts (mainly physicians, agricultural engineers, and customs chemists). Their work was not limited to preparing technical publications or chemical analyses; they also actively defended the quality of their local wine, and played a major role in the discussions regarding the regulation of the international wine market in the 1930s, when new standards regarding the analysis of wine were being considered. Curiously, this well-publicised case of mass poisoning did not have any noticeable consequences in the international regulation of wine. This absence of subsequent regulatory action and the role of experts are central topics of the paper.

Tracking the direct impact of rainfall on groundwater at Mt. Fuji by multiple analyses including microbial DNA

Science.gov (United States)

Sugiyama, Ayumi; Masuda, Suguru; Nagaosa, Kazuyo; Tsujimura, Maki; Kato, Kenji

2018-02-01

A total of 2 to 3 million tons of spring water flushes out from the foot of Mt. Fuji, the largest volcanic mountain in Japan. Based on the concept of piston flow transport, residence time of stored groundwater at Mt. Fuji was estimated at ˜ 15-30 years by the 36Cl / Cl ratio (Tosaki et al., 2011). This range, however, represents the average residence time of groundwater that was mixed before it flushed out. To elucidate the route of groundwater in a given system, we determined signatures of direct impacts of rainfall on groundwater, using microbial, stable isotopic (δ18O), and chemical analyses (concentration of silica). Chemical analysis of the groundwater gave an average value of the water, which was already mixed with waters from various sources and routes in the subsurface environment. The microbial analysis suggested locations of water origin and paths. In situ observation during four rainfall events revealed that the stable oxygen isotopic signature obtained from spring water (at 726 m a.s.l., site SP-0 m) and shallow groundwater (at 150 m a.s.l., site GW-42 m), where the average recharge height from rainfall was 1700-1800 m, became greater than values observed prior to a torrential rain producing more than 300 mm of precipitation. The concentration of silica decreased after this event. In addition, the abundance of Bacteria in spring water increased, suggesting the influence of heavy rain. Such changes did not appear when rainfall was less than 100 mm per event. The above findings indicate a rapid flow of rain through the shallow part of the aquifer, which appeared within a few weeks of torrential rain extracting abundant microbes from soil in the studied geologic setting. Interestingly, we found that after the torrential rain, the abundance of Archaea increased in the deep groundwater at site GW-550 m, ˜ 12 km downstream of SP-0 m. However, chemical parameters did not show any change after the event. This suggests that strengthened piston flow caused by

Sensitivity analyses of fast reactor systems including thorium and uranium

International Nuclear Information System (INIS)

Marable, J.H.; Weisbin, C.R.

1978-01-01

The Cross Section Evaluation Working Group (CSEWG) has, in conjunction with the development of the fifth version of ENDF/B, assembled new evaluations for 232 Th and 233 U. It is the purpose of this paper to describe briefly some of the more important features of these evaluations relative to ENDF/B-4 to project the change in reactor performance based upon the newer evaluated files and sensitivity coefficients for interesting design problems, and to indicate preliminary results from ongoing uncertainty analyses

Lipids: From Chemical Structures, Biosynthesis, and Analyses to Industrial Applications.

Science.gov (United States)

Li-Beisson, Yonghua; Nakamura, Yuki; Harwood, John

2016-01-01

Lipids are one of the major subcellular components, and play numerous essential functions. As well as their physiological roles, oils stored in biomass are useful commodities for a variety of biotechnological applications including food, chemical feedstocks, and fuel. Due to their agronomic as well as economic and societal importance, lipids have historically been subjected to intensive studies. Major current efforts are to increase the energy density of cell biomass, and/or create designer oils suitable for specific applications. This chapter covers some basic aspects of what one needs to know about lipids: definition, structure, function, metabolism and focus is also given on the development of modern lipid analytical tools and major current engineering approaches for biotechnological applications. This introductory chapter is intended to serve as a primer for all subsequent chapters in this book outlining current development in specific areas of lipids and their metabolism.

Analysing and Navigating Natural Products Space for Generating Small, Diverse, But Representative Chemical Libraries.

Science.gov (United States)

O'Hagan, Steve; Kell, Douglas B

2018-01-01

Armed with the digital availability of two natural products libraries, amounting to some 195 885 molecular entities, we ask the question of how we can best sample from them to maximize their "representativeness" in smaller and more usable libraries of 96, 384, 1152, and 1920 molecules. The term "representativeness" is intended to include diversity, but for numerical reasons (and the likelihood of being able to perform a QSAR) it is necessary to focus on areas of chemical space that are more highly populated. Encoding chemical structures as fingerprints using the RDKit "patterned" algorithm, we first assess the granularity of the natural products space using a simple clustering algorithm, showing that there are major regions of "denseness" but also a great many very sparsely populated areas. We then apply a "hybrid" hierarchical K-means clustering algorithm to the data to produce more statistically robust clusters from which representative and appropriate numbers of samples may be chosen. There is necessarily again a trade-off between cluster size and cluster number, but within these constraints, libraries containing 384 or 1152 molecules can be found that come from clusters that represent some 18 and 30% of the whole chemical space, with cluster sizes of, respectively, 50 and 27 or above, just about sufficient to perform a QSAR. By using the online availability of molecules via the Molport system (www.molport.com), we are also able to construct (and, for the first time, provide the contents of) a small virtual library of available molecules that provided effective coverage of the chemical space described. Consistent with this, the average molecular similarities of the contents of the libraries developed is considerably smaller than is that of the original libraries. The suggested libraries may have use in molecular or phenotypic screening, including for determining possible transporter substrates. © 2017 The Authors. Biotechnology Journal Published by Wiley

Comparative chloroplast genomics: Analyses including new sequencesfrom the angiosperms Nuphar advena and Ranunculus macranthus

Energy Technology Data Exchange (ETDEWEB)

Raubeso, Linda A.; Peery, Rhiannon; Chumley, Timothy W.; Dziubek,Chris; Fourcade, H. Matthew; Boore, Jeffrey L.; Jansen, Robert K.

2007-03-01

The number of completely sequenced plastid genomes available is growing rapidly. This new array of sequences presents new opportunities to perform comparative analyses. In comparative studies, it is most useful to compare across wide phylogenetic spans and, within angiosperms, to include representatives from basally diverging lineages such as the new genomes reported here: Nuphar advena (from a basal-most lineage) and Ranunculus macranthus (from the basal group of eudicots). We report these two new plastid genome sequences and make comparisons (within angiosperms, seed plants, or all photosynthetic lineages) to evaluate features such as the status of ycf15 and ycf68 as protein coding genes, the distribution of simple sequence repeats (SSRs) and longer dispersed repeats (SDR), and patterns of nucleotide composition.

Results of chemical analyses of soil, shale, and soil/shale extract from the Mancos Shale formation in the Gunnison Gorge National Conservation Area, southwestern Colorado, and at Hanksville, Utah

Science.gov (United States)

Tuttle, Michele L.W.; Fahy, Juli; Grauch, Richard I.; Ball, Bridget A.; Chong, Geneva W.; Elliott, John G.; Kosovich, John J.; Livo, Keith E.; Stillings, Lisa L.

2007-01-01

Results of chemical and some isotopic analyses of soil, shale, and water extracts collected from the surface, trenches, and pits in the Mancos Shale are presented in this report. Most data are for sites on the Gunnison Gorge National Conservation Area (GGNCA) in southwestern Colorado. For comparison, data from a few sites from the Mancos landscape near Hanksville, Utah, are included. Twelve trenches were dug on the GGNCA from which 258 samples for whole-rock (total) analyses and 187 samples for saturation paste extracts were collected. Sixteen of the extract samples were duplicated and subjected to a 1:5 water extraction for comparison. A regional soil survey across the Mancos landscape on the GGNCA generated 253 samples for whole-rock analyses and saturation paste extractions. Seventeen gypsum samples were collected on the GGNCA for sulfur and oxygen isotopic analysis. Sixteen samples were collected from shallow pits in the Mancos Shale near Hanksville, Utah.

The dilemma in prioritizing chemicals for environmental analysis: known versus unknown hazards.

Science.gov (United States)

Anna, Sobek; Sofia, Bejgarn; Christina, Rudén; Magnus, Breitholtz

2016-08-10

A major challenge for society is to manage the risks posed by the many chemicals continuously emitted to the environment. All chemicals in production and use cannot be monitored and science-based strategies for prioritization are essential. In this study we review available data to investigate which substances are included in environmental monitoring programs and published research studies reporting analyses of chemicals in Baltic Sea fish between 2000 and 2012. Our aim is to contribute to the discussion of priority settings in environmental chemical monitoring and research, which is closely linked to chemical management. In total, 105 different substances or substance groups were analyzed in Baltic Sea fish. Polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans (PCDD/Fs) and polychlorinated biphenyls (PCBs) were the most studied substances or substance groups. The majority, 87%, of all analyses comprised 20% of the substances or substance groups, whereas 46 substance groups (44%) were analyzed only once. Almost three quarters of all analyses regarded a POP-substance (persistent organic pollutant). These results demonstrate that the majority of analyses on environmental contaminants in Baltic Sea fish concern a small number of already regulated chemicals. Legacy pollutants such as POPs pose a high risk to the Baltic Sea due to their hazardous properties. Yet, there may be a risk that prioritizations for chemical analyses are biased based on the knowns of the past. Such biases may lead to society failing in identifying risks posed by yet unknown hazardous chemicals. Alternative and complementary ways to identify priority chemicals are needed. More transparent communication between risk assessments performed as part of the risk assessment process within REACH and monitoring programs, and information on chemicals contained in consumer articles, would offer ways to identify chemicals for environmental analysis.

The contact-temperature ignition (CTI) criteria for propagating chemical reactions including the effect of moisture and application to Hanford waste

International Nuclear Information System (INIS)

Cash, R.J.

1995-01-01

To assure the continued absence of uncontrolled condensed-phase chemical reactions in connection with the Hanford waste materials, efforts have been underway including both theoretical and experimental investigations to clarify the requirements for such reactions. This document defines the differences and requirements for homogeneous runaway and propagating chemical reactions incuding a discussion of general contact-temperature ignition (CTI) condition for propagating reactions that include the effect of moisture. The CTI condition implies that the contact temperature or interface temperature between reacted and unreacted materials must exceed the ignition temperature and is compared to experimental data including both synthetic ferrocyanide and surrogate organic materials. In all cases, the occurrences of ignition accompanied by self-propagating reactions are consistent with the theoretical anticipations of the CTI condition

Procedures for field chemical analyses of water samples

International Nuclear Information System (INIS)

Korte, N.; Ealey, D.

1983-12-01

A successful water-quality monitoring program requires a clear understanding of appropriate measurement procedures in order to obtain reliable field data. It is imperative that the responsible personnel have a thorough knowledge of the limitations of the techniques being used. Unfortunately, there is a belief that field analyses are simple and straightforward. Yet, significant controversy as well as misuse of common measurement techniques abounds. This document describes procedures for field measurements of pH, carbonate and bicarbonate, specific conductance, dissolved oxygen, nitrate, Eh, and uranium. Each procedure section includes an extensive discussion regarding the limitations of the method as well as brief discussions of calibration procedures and available equipment. A key feature of these procedures is the consideration given to the ultimate use of the data. For example, if the data are to be used for geochemical modeling, more precautions are needed. In contrast, routine monitoring conducted merely to recognize gross changes can be accomplished with less effort. Finally, quality assurance documentation for each measurement is addressed in detail. Particular attention is given to recording sufficient information such that decisions concerning the quality of the data can be easily made. Application of the procedures and recommendations presented in this document should result in a uniform and credible water-quality monitoring program. 22 references, 4 figures, 3 tables

Physico-chemical, mineralogical and chemical considerations in ...

African Journals Online (AJOL)

... pH (5.17 – 6.90) and EC (16.53 – 149.20ìS/cm). Values from physico-chemical analyses, secondary minerals abundance index (SMAI) and chemical index of alteration (CIA) of the soils were reflective of particles with high potential for sliding. With major contributions from favourable slope, seismic and hydrologic forces, ...

Fractionation of chemical elements including the REEs and 226Ra in stream contaminated with coal-mine effluent

International Nuclear Information System (INIS)

Centeno, L.M.; Faure, G.; Lee, G.; Talnagi, J.

2004-01-01

Water draining from abandoned open-pit coal mines in southeastern Ohio typically has a low pH and high concentrations of Fe, Al and Mn, as well as of trace metals (Pb, Cu, Zn, Ni, Co, etc.) and of the rare earth elements (REEs). The cations of different elements are sorbed selectively by Fe and Al hydroxide precipitates which form with increasing pH. As a result, the trace elements are separated from each other when the hydroxide precipitates are deposited in the channel of a flowing stream. Therefore, the low-energy environment of a stream contaminated by mine effluent is a favorable site for the chemical fractionation of the REEs and of other groups of elements with similar chemical properties. The interpretation of chemical analyses of water collected along a 30-km-stretch of Rush Creek near the town of New Lexington, Perry County, Ohio, indicates that the abundances of the REEs in the water appear to change downstream when they are normalized to the REE concentrations of the mine effluent. In addition, the Ce/La ratios (and those of all REEs) in the water decrease consistently downstream. The evidence indicates that the REEs which remain in solution are enriched La and Ce because the other REEs are sorbed more efficiently. The solid Fe(OH) 3 precipitates in the channel of Rush Creek upstream of New Lexington also contain radioactive 226 Ra that was sorbed from the water. This isotope of Ra is a decay product of 238 U which occurs in the Middle Pennsylvanian (Upper Carboniferous) coal and in the associated shale of southeastern Ohio. The activity of 226 Ra of the Fe(OH) 3 precipitates increases with rising pH, but then declines farther downstream as the concentration of Ra remaining in the water decreases

Chemical residues in Dolphins from the US Atlantic coast including atlantic bottlenose obtained during the 1987/88 mass mortality

Energy Technology Data Exchange (ETDEWEB)

Kuehl, D.W.; Haebler, R.; Potter, C.

1991-01-01

Bottlenose dolphins (Tursiops truncatus) collected during the 1987/88 mass mortality event along the Atlantic coast of the United States have been analyzed for anthropogenic chemical contaminants. Average contaminant concentrations in adult males were higher than the average concentrations measured in adult females. Females could be divided into two groups by contaminant concentrations, one with low concentrations, and another with concentrations 4.4 times (PCBs) to 8.9 times (p,p'-DDE) greater. Contaminant concentrations in bottlenose were generally greater than the concentrations measured in either common (Delphinus delphis) or white-sided (Lagernorhynchus acutus) dolphins from the western North Atlantic Ocean. A subset of animals screened for unusual chemical contaminants showed that numerous polybrominated chemicals were present, including polybrominated biphenyls and diphenyl ethers not previously found in marine mammals from U.S. coastal waters.

Optimal control for chemical engineers

CERN Document Server

Upreti, Simant Ranjan

2013-01-01

Optimal Control for Chemical Engineers gives a detailed treatment of optimal control theory that enables readers to formulate and solve optimal control problems. With a strong emphasis on problem solving, the book provides all the necessary mathematical analyses and derivations of important results, including multiplier theorems and Pontryagin's principle.The text begins by introducing various examples of optimal control, such as batch distillation and chemotherapy, and the basic concepts of optimal control, including functionals and differentials. It then analyzes the notion of optimality, de

Tracking the direct impact of rainfall on groundwater at Mt. Fuji by multiple analyses including microbial DNA

Directory of Open Access Journals (Sweden)

A. Sugiyama

2018-02-01

Full Text Available A total of 2 to 3 million tons of spring water flushes out from the foot of Mt. Fuji, the largest volcanic mountain in Japan. Based on the concept of piston flow transport, residence time of stored groundwater at Mt. Fuji was estimated at  ∼  15–30 years by the 36Cl ∕ Cl ratio (Tosaki et al., 2011. This range, however, represents the average residence time of groundwater that was mixed before it flushed out. To elucidate the route of groundwater in a given system, we determined signatures of direct impacts of rainfall on groundwater, using microbial, stable isotopic (δ18O, and chemical analyses (concentration of silica. Chemical analysis of the groundwater gave an average value of the water, which was already mixed with waters from various sources and routes in the subsurface environment. The microbial analysis suggested locations of water origin and paths. In situ observation during four rainfall events revealed that the stable oxygen isotopic signature obtained from spring water (at 726 m a.s.l., site SP-0 m and shallow groundwater (at 150 m a.s.l., site GW-42 m, where the average recharge height from rainfall was 1700–1800 m, became greater than values observed prior to a torrential rain producing more than 300 mm of precipitation. The concentration of silica decreased after this event. In addition, the abundance of Bacteria in spring water increased, suggesting the influence of heavy rain. Such changes did not appear when rainfall was less than 100 mm per event. The above findings indicate a rapid flow of rain through the shallow part of the aquifer, which appeared within a few weeks of torrential rain extracting abundant microbes from soil in the studied geologic setting. Interestingly, we found that after the torrential rain, the abundance of Archaea increased in the deep groundwater at site GW-550 m,  ∼  12 km downstream of SP-0 m. However, chemical parameters did not show any change

Comparative physical-chemical characterization of encapsulated lipid-based isotretinoin products assessed by particle size distribution and thermal behavior analyses

Energy Technology Data Exchange (ETDEWEB)

Guimaraes, Carla Aiolfi, E-mail: carlaaiolfi@usp.br [Department of Pharmacy, Faculty of Pharmaceutical Sciences, University of Sao Paulo, Sao Paulo, SP 05508-000 (Brazil); Menaa, Farid [Department of Dermatology, School of Medicine Wuerzburg, Wuerzburg 97080 (Germany); Fluorotronics, Inc., 1425 Russ Bvld, San Diego Technology Incubator, San Diego, CA 92101 (United States); Menaa, Bouzid, E-mail: bouzid.menaa@gmail.com [Fluorotronics, Inc., 1425 Russ Bvld, San Diego Technology Incubator, San Diego, CA 92101 (United States); Quenca-Guillen, Joyce S. [Department of Pharmacy, Faculty of Pharmaceutical Sciences, University of Sao Paulo, Sao Paulo, SP 05508-000 (Brazil); Matos, Jivaldo do Rosario [Department of Fundamental Chemistry, Institute of Chemistry, University of Sao Paulo, Sao Paulo, SP 05508-000 (Brazil); Mercuri, Lucildes Pita [Department of Exact and Earth Sciences, Federal University of Sao Paulo, Diadema, SP 09972-270 (Brazil); Braz, Andre Borges [Department of Engineering of Mines and Oil, Polytechnical School, University of Sao Paulo, SP 05508-900 (Brazil); Rossetti, Fabia Cristina [Department of Pharmaceutical Sciences, Faculty of Pharmaceutical Sciences of Ribeirao Preto, University of Sao Paulo, Ribeirao Preto, SP 14015-120 (Brazil); Kedor-Hackmann, Erika Rosa Maria; Santoro, Maria Ines Rocha Miritello [Department of Pharmacy, Faculty of Pharmaceutical Sciences, University of Sao Paulo, Sao Paulo, SP 05508-000 (Brazil)

2010-06-10

Isotretinoin is the drug of choice for the management of severe recalcitrant nodular acne. Nevertheless, some of its physical-chemical properties are still poorly known. Hence, the aim of our study consisted to comparatively evaluate the particle size distribution (PSD) and characterize the thermal behavior of the three encapsulated isotretinoin products in oil suspension (one reference and two generics) commercialized in Brazil. Here, we show that the PSD, estimated by laser diffraction and by polarized light microscopy, differed between the generics and the reference product. However, the thermal behavior of the three products, determined by thermogravimetry (TGA), differential thermal (DTA) analyses and differential scanning calorimetry (DSC), displayed no significant changes and were more thermostable than the isotretinoin standard used as internal control. Thus, our study suggests that PSD analyses in isotretinoin lipid-based formulations should be routinely performed in order to improve their quality and bioavailability.

Assessment of toxicological profiles of the municipal wastewater effluents using chemical analyses and bioassays.

Science.gov (United States)

Smital, Tvrtko; Terzic, Senka; Zaja, Roko; Senta, Ivan; Pivcevic, Branka; Popovic, Marta; Mikac, Iva; Tollefsen, Knut Erik; Thomas, Kevin V; Ahel, Marijan

2011-05-01

The hazardous chemical contamination of untreated wastewater and secondary effluent from the wastewater treatment plant (WWTP) of the city of Zagreb, Croatia was comprehensively characterized using large-volume solid-phase extraction (SPE) and silica gel fractionation, followed by a detailed analysis of the resulting extracts by a combination of chemical and bioassay methods. Over 100 individual contaminants or closely related-contaminant groups were identified by high-resolution gas chromatography/mass spectrometry (GC/MS) and liquid chromatography/quadrupole time-of-flight mass spectrometry (LC-QTOF). Ecotoxicity profiling of the investigated samples, including cytotoxicity, chronic toxicity and EROD activity; inhibition of the multixenobiotic resistance (MXR), genotoxicity and estrogenic potential, revealed the most significant contribution of toxic compounds to be present in polar fractions. Wastewater treatment using conventional activated sludge process reduced the initial toxicity of raw wastewater to various extents, ranging from 28% for algal toxicity to 73.2% for an estrogenic activity. The most efficient toxicity removal was observed for the polar compounds. Copyright © 2010 Elsevier Inc. All rights reserved.

Biomonitoring in a clean and a multi-contaminated estuary based on biomarkers and chemical analyses in the endobenthic worm Nereis diversicolor

Energy Technology Data Exchange (ETDEWEB)

Durou, Cyril [CNRS, Universite de Nantes, Pole Mer et Littoral, SMAB, 2 rue de la Houssiniere, BP 92208, F-44322 Nantes Cedex 3 (France) and Institut de Biologie et Ecologie Appliquees, CEREA, Universite Catholique de l' Ouest, 44 rue Rabelais, 49008 Angers Cedex 01 (France)]. E-mail: cyril.durou@uco.fr; Poirier, Laurence [CNRS, Universite de Nantes, Pole Mer et Littoral, SMAB, 2 rue de la Houssiniere, BP 92208, F-44322 Nantes Cedex 3 (France); Amiard, Jean-Claude [CNRS, Universite de Nantes, Pole Mer et Littoral, SMAB, 2 rue de la Houssiniere, BP 92208, F-44322 Nantes Cedex 3 (France); Budzinski, Helene [CNRS UMR 5472, LPTC, Universite de Bordeaux I, 33405 Talence (France); Gnassia-Barelli, Mauricette [UMR INRA UNSA 1112 ROSE, Faculte des Sciences, BP 71, 06108 Nice Cedex 2 (France); Lemenach, Karyn [CNRS UMR 5472, LPTC, Universite de Bordeaux I, 33405 Talence (France); Peluhet, Laurent [CNRS UMR 5472, LPTC, Universite de Bordeaux I, 33405 Talence (France); Mouneyrac, Catherine [CNRS, Universite de Nantes, Pole Mer et Littoral, SMAB, 2 rue de la Houssiniere, BP 92208, F-44322 Nantes Cedex 3 (France); Institut de Biologie et Ecologie Appliquees, CEREA, Universite Catholique de l' Ouest, 44 rue Rabelais, 49008 Angers Cedex 01 (France); Romeo, Michele [UMR INRA UNSA 1112 ROSE, Faculte des Sciences, BP 71, 06108 Nice Cedex 2 (France); Amiard-Triquet, Claude [CNRS, Universite de Nantes, Pole Mer et Littoral, SMAB, 2 rue de la Houssiniere, BP 92208, F-44322 Nantes Cedex 3 (France)

2007-07-15

Relationships between biochemical and physiological biomarkers (acetylcholinesterase [AChE], catalase, and glutathione S-transferase [GST] activities, thiobarbituric acid reactive substances, glycogen, lipids and proteins) and accumulated concentrations of contaminants (polychlorinated biphenyls [PCBs], polycyclic aromatic hydrocarbons and metals) were examined in the keystone species Nereis diversicolor. The chemical analyses of worms and sediments allowed the designation of the Seine estuary and the Authie estuary as a polluted and relatively clean site respectively. Worms from the Seine estuary exhibited higher GST and lower AChE activities. Generally, larger worms had higher concentrations of energy reserves. Principal component analyses clearly highlighted intersite differences: in the first plan, GST activities and chemical concentrations were inversely related to concentrations of energy reserves; in the second one, PCB concentrations and AChE activity were inversely related. Depleted levels of energy reserves could be a consequence of combating toxicants and might predict effects at higher levels of biological organization. The use of GST and AChE activities and energy reserve concentrations as biomarkers is validated in the field in this keystone species. - The use of N. diversicolor as a biomonitor of environmental quality via the measurement of biomarkers and accumulated concentrations of contaminants is validated in the field.

Evaluation of Pre- and Post- Redevelopment Groundwater Chemical Analyses from LM Monitoring Wells

International Nuclear Information System (INIS)

Kamp, Susan; Dayvault, Jalena

2016-01-01

This report documents the efforts and analyses conducted for the Applied Studies and Technology (AS&T) Ancillary Work Plan (AWP) project titled Evaluation of Pre- and Post- Redevelopment Groundwater Sample Laboratory Analyses from Selected LM Groundwater Monitoring Wells. This effort entailed compiling an inventory of nearly 500 previous well redevelopment events at 16 U.S. Department of Energy Office of Legacy Management (LM) sites, searching the literature for impacts of well redevelopment on groundwater sample quality, and-the focus of this report-evaluating the impacts of well redevelopment on field measurements and sample analytical results. Study Catalyst Monitoring well redevelopment, the surging or high-volume pumping of a well to loosen and remove accumulated sediment and biological build-up from a well, is considered an element of monitoring well maintenance that is implemented periodically during the lifetime of the well to mitigate its gradual deterioration. Well redevelopment has been conducted fairly routinely at a few LM sites in the western United States (e.g., the Grand Junction office site and the Gunnison processing site in Colorado), but at most other sites in this region it is not a routine practice. Also, until recently (2014-2015), there had been no specific criteria for implementing well redevelopment, and documentation of redevelopment events has been inconsistent. A catalyst for this evaluation was the self-identification of these inconsistencies by the Legacy Management Support contractor. As a result, in early 2015 Environmental Monitoring Operations (EMO) staff began collecting and documenting additional field measurements during well redevelopment events. In late 2015, AS&T staff undertook an independent internal evaluation of EMO's well redevelopment records and corresponding pre- and post-well-redevelopment groundwater analytical results. Study Findings Although literature discussions parallel the prevailing industry

Evaluation of Pre- and Post- Redevelopment Groundwater Chemical Analyses from LM Monitoring Wells

Energy Technology Data Exchange (ETDEWEB)

Kamp, Susan [Navarro Reserch and Engineering, Oak Ridge, TN (United States); Dayvault, Jalena [US Department of Energy, Washington, DC (United States). Office of Legacy Management

2016-05-01

This report documents the efforts and analyses conducted for the Applied Studies and Technology (AS&T) Ancillary Work Plan (AWP) project titled Evaluation of Pre- and Post- Redevelopment Groundwater Sample Laboratory Analyses from Selected LM Groundwater Monitoring Wells. This effort entailed compiling an inventory of nearly 500 previous well redevelopment events at 16 U.S. Department of Energy Office of Legacy Management (LM) sites, searching the literature for impacts of well redevelopment on groundwater sample quality, and—the focus of this report—evaluating the impacts of well redevelopment on field measurements and sample analytical results. Study Catalyst Monitoring well redevelopment, the surging or high-volume pumping of a well to loosen and remove accumulated sediment and biological build-up from a well, is considered an element of monitoring well maintenance that is implemented periodically during the lifetime of the well to mitigate its gradual deterioration. Well redevelopment has been conducted fairly routinely at a few LM sites in the western United States (e.g., the Grand Junction office site and the Gunnison processing site in Colorado), but at most other sites in this region it is not a routine practice. Also, until recently (2014–2015), there had been no specific criteria for implementing well redevelopment, and documentation of redevelopment events has been inconsistent. A catalyst for this evaluation was the self-identification of these inconsistencies by the Legacy Management Support contractor. As a result, in early 2015 Environmental Monitoring Operations (EMO) staff began collecting and documenting additional field measurements during well redevelopment events. In late 2015, AS&T staff undertook an independent internal evaluation of EMO's well redevelopment records and corresponding pre- and post-well-redevelopment groundwater analytical results. Study Findings Although literature discussions parallel the prevailing industry

New Chemical Kinetics Approach for DSMC Applications to Nonequilibrium Flows, Phase II

Data.gov (United States)

National Aeronautics and Space Administration — A new chemical kinetics model and database will be developed for aerothermodynamic analyses on entry vehicles. Unique features of this model include (1) the ability...

New Chemical Kinetics Approach for DSMC Applications to Nonequilibrium Flows, Phase I

Data.gov (United States)

National Aeronautics and Space Administration — A new chemical kinetics model and database will be developed for aerothermodynamic analyses on entry vehicles. Unique features of this model include (1) the ability...

Spectroscopic analyses of chemical adaptation processes within microalgal biomass in response to changing environments

Energy Technology Data Exchange (ETDEWEB)

Vogt, Frank, E-mail: fvogt@utk.edu; White, Lauren

2015-03-31

Highlights: • Microalgae transform large quantities of inorganics into biomass. • Microalgae interact with their growing environment and adapt their chemical composition. • Sequestration capabilities are dependent on cells’ chemical environments. • We develop a chemometric hard-modeling to describe these chemical adaptation dynamics. • This methodology will enable studies of microalgal compound sequestration. - Abstract: Via photosynthesis, marine phytoplankton transforms large quantities of inorganic compounds into biomass. This has considerable environmental impacts as microalgae contribute for instance to counter-balancing anthropogenic releases of the greenhouse gas CO{sub 2}. On the other hand, high concentrations of nitrogen compounds in an ecosystem can lead to harmful algae blooms. In previous investigations it was found that the chemical composition of microalgal biomass is strongly dependent on the nutrient availability. Therefore, it is expected that algae’s sequestration capabilities and productivity are also determined by the cells’ chemical environments. For investigating this hypothesis, novel analytical methodologies are required which are capable of monitoring live cells exposed to chemically shifting environments followed by chemometric modeling of their chemical adaptation dynamics. FTIR-ATR experiments have been developed for acquiring spectroscopic time series of live Dunaliella parva cultures adapting to different nutrient situations. Comparing experimental data from acclimated cultures to those exposed to a chemically shifted nutrient situation reveals insights in which analyte groups participate in modifications of microalgal biomass and on what time scales. For a chemometric description of these processes, a data model has been deduced which explains the chemical adaptation dynamics explicitly rather than empirically. First results show that this approach is feasible and derives information about the chemical biomass

Spectroscopic analyses of chemical adaptation processes within microalgal biomass in response to changing environments

International Nuclear Information System (INIS)

Vogt, Frank; White, Lauren

2015-01-01

Highlights: • Microalgae transform large quantities of inorganics into biomass. • Microalgae interact with their growing environment and adapt their chemical composition. • Sequestration capabilities are dependent on cells’ chemical environments. • We develop a chemometric hard-modeling to describe these chemical adaptation dynamics. • This methodology will enable studies of microalgal compound sequestration. - Abstract: Via photosynthesis, marine phytoplankton transforms large quantities of inorganic compounds into biomass. This has considerable environmental impacts as microalgae contribute for instance to counter-balancing anthropogenic releases of the greenhouse gas CO 2 . On the other hand, high concentrations of nitrogen compounds in an ecosystem can lead to harmful algae blooms. In previous investigations it was found that the chemical composition of microalgal biomass is strongly dependent on the nutrient availability. Therefore, it is expected that algae’s sequestration capabilities and productivity are also determined by the cells’ chemical environments. For investigating this hypothesis, novel analytical methodologies are required which are capable of monitoring live cells exposed to chemically shifting environments followed by chemometric modeling of their chemical adaptation dynamics. FTIR-ATR experiments have been developed for acquiring spectroscopic time series of live Dunaliella parva cultures adapting to different nutrient situations. Comparing experimental data from acclimated cultures to those exposed to a chemically shifted nutrient situation reveals insights in which analyte groups participate in modifications of microalgal biomass and on what time scales. For a chemometric description of these processes, a data model has been deduced which explains the chemical adaptation dynamics explicitly rather than empirically. First results show that this approach is feasible and derives information about the chemical biomass adaptations

Lessons learned from radioactive/mixed waste analyses at EG ampersand G Idaho, Inc

International Nuclear Information System (INIS)

Murphy, R.J.; Sailer, S.J.; Bennett, J.T.; Arvizu, J.S.

1990-01-01

For the past 30 years extensive chemical characterizations of environmental and waste samples have been performed by numerous academic, commercial, and government analytical chemistry laboratories for the purposes of research, monitoring, and compliance with regulations. The vast majority of these analyses, however, has been conducted on samples containing natural concentrations of radioactive constituents. It is only within the last decade that a small number of laboratories have been conducting extensive chemical characterizations of highly radioactive samples and consequently have begun to identify many special requirements for the safe and accurate conduct of such analyses. Experience gained from chemical analyses of radioactively contaminated samples has indicated special requirements and actions needed in the following three general areas: Sample collection and preservation; chemical analysis protocols; disposal of waste from chemical analyses. In this paper we will summarize the experience and findings acquired from four years of radioactive sample analyses by the Environmental Chemistry Unit, an analytical chemistry laboratory of EG ampersand G Idaho, Inc. at the Idaho National Engineering Laboratory. 6 tabs

GRANNY, a data bank of chemical analyses of Laramide and younger high-silica rhyolites and granites from Colorado and north-central New Mexico

Science.gov (United States)

Steigerwald, Celia H.; Mutschler, Felix E.; Ludington, Steve

1983-01-01

GRANNY is a data bank containing information on 507 chemically analyzed Laramide or younger high-silica rhyolites and granites from Colorado and north-central New Mexico. The data were compiled from both published and unpublished sources. The data bank is designed to aid in the recognition of igneous rocks with a high exploration potential for the discovery of molybdenum (and other lithophile element) deposits. Information on source reference, geographic location, age, mineralogic and petrologic characteristics, major constituent analyses, and trace element analyses for each sample are given. The data bank is available in two formats: 1) paper- or microfiche-hardcopy, and 2) fixed format computer readable magnetic tape.

The Chemical Weapons Convention and the Role of Engineers and Scientists

Directory of Open Access Journals (Sweden)

Matoušek, J

2010-02-01

Full Text Available Chemical weapons, like all military technology, are associated with activities of scientists and engineers. However, chemical weapons differ from any other military technology because they were invented, and their first mass use directly developed by famous chemists. The active contribution of engineers and scientists and their organisations in the negotiations on chemical disarmament, including drafting the Chemical Weapons Convention, is described. Their present and future role in implementing the Convention is analysed, taking into consideration the threats and benefits of advances in science and technology, and stressing the independent expertise of the OPCW Scientific Advisory Board.

Analysing chemical equilibrium conditions when studying butyl acetate synthesis

OpenAIRE

Álvaro Orjuela Londoño; Fernando Leiva Lenis; Luis Alejandro Boyacá Mendivelso; Gerardo Rodríguez Niño; Luis María Carballo Suárez

2010-01-01

This work studied the liquid phase of acetic acid and butyl alcohol esterification reaction (P atm = 560 mmHg),using an ion exchange resin (Lewatit K-2431) as catalyst. A set of assays were carried out for determining the effect of catalyst load, temperature and molar ratio (acid/alcohol) on chemical equilibrium constant. Components’ selective sorption on the resin matrix was noticed; its effect on equilibrium conditions was verified, by using different acid/alcohol starting ratios. A non-ide...

Weld region corrosion during chemical cleaning of PWR [pressurized-water reactor] steam generators: Volume 2, Tests and analyses: Final report

International Nuclear Information System (INIS)

Barna, J.L.; Bozeka, S.A.; Jevec, J.M.

1987-07-01

The potential for preferential corrosion of steam generator weld regions during chemical cleaning using the generic SGOG solvents was investigated. The investigations included development and use of a corrosion assessment test facility which measured corrosion currents in a realistic model of the steam generator geometry in the vicinity of a specific weld during a simulated chemical dissolution of sludge consisting of essentially pure magnetite. A corrosion monitoring technique was developed and qualified. In this technique free corrosion rates measured by linear polarization techniques are added to corrosion rates calculated from galvanic current measured using a zero resistance ammeter to give an estimate of total corrosion rate for a galvanically corroding material. An analytic modeling technique was developed and proved useful in determining the size requirements for the weld region mockup used in the corrosion assessment test facility. The technique predicted galvanic corrosion rates consistent with that observed in a corrosion assessement test when polarization data used as model input were obtained on-line during the test. The test results obtained during this investigation indicated that chemical cleaning using the SGOG magnetite dissolution solvent can be performed with a small amount of corrosion of secondary side internals and pressure boundary welds. The maximum weld region corrosion measured during a typical chemical cleaning cycle to remove essentially pure magnetite sludge was about 8 mils. However, additional site specific weld region corrosion assessment testing and qualification will be required prior to chemical cleaning steam generators at a specific plant. Recommendations for site specific qualification of chemical cleaning processes and for use of process monitors and on-line corrosion instrumentation are included in this report

Applicable safety-related design and operations considerations from the oil and chemical industries

International Nuclear Information System (INIS)

Mulvihill, R.J.; Deshotels, R.L.; Master, C.A.

1987-01-01

Fluor Daniel has conducted several hazards and risk analyses on petroleum and chemical facilities. These analyses included qualitative hazards and operability (HAZOP) studies, preliminary hazards analyses, and qualitative fault-tree analysis as well as quantitative event-tree/fault-tree risk analysis. Several design-related problem areas were uncovered as a result of these analyses as well as deficiencies in operations and maintenance. Design deficiency areas include potential common-mode failures associated with redundant functions sharing a common distributed digital control (DDC) logic circuit board and failures in pressure relief systems. Many of the design weaknesses and potential operator errors discussed have a direct counterpart in nuclear fuel processing plants and nuclear power reactors. Counterparts that are discussed are common cause/common mode failures in control systems and failures in pressure relief systems. Overpressurization of piping and vessels resulting in rupture is discussed. Mitigating design features and operations procedures that have been implemented in the chemical process industry are described and their applicability to the nuclear industry is discussed

Physico-Chemical and Bacteriological Analyses of Water Used for ...

African Journals Online (AJOL)

Samuel Olaleye

Physicochemical and bacteriological analyses were carried out on well water, stream water and river water used for drinking and swimming purposes in. Abeokuta, Nigeria. The results obtained were compared with WHO and EPA standards for drinking and recreational water. With the exception of Sokori stream and a well ...

Bryophytes - an emerging source for herbal remedies and chemical production

DEFF Research Database (Denmark)

Sabovljevic, Marko S.; Sabovljević, Aneta D.; Ikram, Nur Kusaira K.

2016-01-01

biomass in various ecosystems, bryophytes are a seldom part of ethnomedicine and rarely subject to medicinal and chemical analyses. Still, hundreds of novel natural products have been isolated from bryophytes. Bryophytes have been shown to contain numerous potentially useful natural products, including...... loss, plant growth regulators and allelopathic activities. Bryophytes also cause allergies and contact dermatitis. All these effects highlight bryophytes as potential source for herbal remedies and production of chemicals to be used in various products....

Physico-chemical analyses of Hispano-Moresque lustred ceramic: a precursor for Italian majolica?

Science.gov (United States)

Chabanne, D.; Bouquillon, A.; Aucouturier, M.; Dectot, X.; Padeletti, G.

2008-07-01

The paper presents a comprehensive physico-chemical investigation on a series of Hispano-Moresque objects produced in the eastern Spain workshops between the XIV and XVIII centuries and fragments from XII century, in order to compare them with the Italian Renaissance majolica production. The techniques used are mainly non-destructive (ion beam analyses and X-ray diffraction), sometimes complemented by SEM observation and microanalysis, and electrothermal atomic emission spectrometry. Such methods allow a full description of the terra cotta, of the glaze and of the different surface layers which constitute the lustre decoration indicating individual elemental composition and thickness of each layer containing or not metallic nanoparticles. Principal results show the following: i) a constant source of supply for the eastern Spain terra cotta; ii) a significant change in the composition of the Spanish glazes around the XVII century, with the disappearance of the opacifying tin oxide addition; iii) significant evolutions in the structure and composition of the lustre layers, in particular related to the presence or not of a metal-free surface glaze film and its thickness; iv) interesting analogies and differences with the Italian majolica; v) confirmation of the change in the quality of blue pigment during XVI century, already evidenced by the authors in previous publications. A discussion about the transmission of the lustre technique between eastern Spain and Italy at the Renaissance period is proposed.

Treatment of spices with ionizing radiation - chemical, organoleptical, microbiological and toxicological analyses. Pt. 1. Behandlung von Gewuerzen mit ionisierenden Strahlen - chemische, organoleptische, mikrobiologische und toxikologische Aspekte

Energy Technology Data Exchange (ETDEWEB)

Schuettler, C; Boegl, W

1984-01-01

In a study of the relevant literature the results of tests on 30 radiation treated spices were evaluated. The tests contain chemical, organoleptical, microbiological and toxicological analyses. Most of the spices were treated with gamma radiation from cobalt-60 sources with doses up to 60 kGy.

Extra virgin olive oil bitterness evaluation by sensory and chemical analyses.

Science.gov (United States)

Favati, Fabio; Condelli, Nicola; Galgano, Fernanda; Caruso, Marisa Carmela

2013-08-15

An experimental investigation was performed on blend extra virgin olive oils (EVOOs) from different cultivars and EVOO from different olive monovarieties (Coratina, Leccino, Maiatica, Ogliarola) with the aim to evaluate the possibility of estimating the perceived bitterness intensity by using chemical indices, such as the total phenol content and the compounds responsible for oil bitterness measured spectrophotometrically at 225 nm (K225 value), as bitterness predictors in different EVOO. Therefore, a bitterness predictive model, based on the relationship between the perceived bitterness intensity of the selected stimuli and the chosen chemicals parameters has been built and validated. The results indicated that the oil bitterness intensity could be satisfactorily predicted by using the K225 values of oil samples. Copyright © 2013 Elsevier Ltd. All rights reserved.

Reprocessing of spent nuclear fuel, Annex 3: Chemical and radiometric control analyses

International Nuclear Information System (INIS)

Gal, I.

1964-01-01

Simple, fast and reliable control analyses are obligatory during reprocessing. The analyses performed covered measuring the contents of uranium in water and organic solutions, contents of plutonium in water and organic solutions as well as the free acid in both solutions. In addition temporary analyses were done to determine the density of water and organic solutions as well as content of TBP in kerosine

Role of the Chemical Weapons Convention (CWC) in Combating Chemical Terrorism

International Nuclear Information System (INIS)

Matousek, J.

2007-01-01

Main reason for concluding the CWC was preventing use of CWs in hostilities by state actors. Chemical terrorism is a broader phenomenon involving not only misuse of CWs but also of non-weaponised toxic compounds and intended strikes on industrial and social infrastructures with release of toxic, liquefied and inflammable chemicals. Nevertheless, the CWC is an important instrument in combating the most dangerous forms of international chemical terrorism. The effort of OPCW and mainly of SPs national authorities ensure that chemicals produced for peaceful purposes are not misused, provide some guarantees that terrorists will not be able to acquire or make their own CWs. That is why universality of the CWC and respective national implementation measures including comprehensive legislation are of utmost importance. The enforcement by all countries of the CWCs requirement to make the development, production, stockpiling, transfers and use of CWs illegal for anyone means that terrorist could be put on trial for violating the CWC. The OPCWs expertise and knowledge of CWs, verification regime and the system of assistance and protection under the CWC as a reflection of international co-operation are being put to use to prevent and respond to chemical terrorist strikes and thus considerably diminish their potential consequences. It can be added that pursuant to the UN SC Resolution 1540, all nations are obliged to take actions ensuring that non-State actors cannot develop, produce, use or trade CWs in the terms of the CWC. Current status of implementing the CWC is analysed with special emphasis on prevention of and response to terrorist chemical attacks.(author)

Saskatchewan resources. [including uranium

Energy Technology Data Exchange (ETDEWEB)

1979-09-01

The production of chemicals and minerals for the chemical industry in Saskatchewan are featured, with some discussion of resource taxation. The commodities mentioned include potash, fatty amines, uranium, heavy oil, sodium sulfate, chlorine, sodium hydroxide, sodium chlorate and bentonite. Following the successful outcome of the Cluff Lake inquiry, the uranium industry is booming. Some developments and production figures for Gulf Minerals, Amok, Cenex and Eldorado are mentioned.

Islamic State and Chemical Weapons

Directory of Open Access Journals (Sweden)

Lukáš Rafay

2016-09-01

Full Text Available The article deals with topic of Islamic State and chemical weapons. The issue is analysed in three dimensions: origin of used chemical weapons and possibility of independent production; known chemical attacks and tactical regularities in their execution; and traits of future chemical terrorist attacks. By providing a thorough examination of the problem, the article aims at predicting the future development of the group’s chemical program as well as describing any prospective chemical terrorist attacks in Europe

Heat Diffusion in Gases, Including Effects of Chemical Reaction

Science.gov (United States)

Hansen, C. Frederick

1960-01-01

The diffusion of heat through gases is treated where the coefficients of thermal conductivity and diffusivity are functions of temperature. The diffusivity is taken proportional to the integral of thermal conductivity, where the gas is ideal, and is considered constant over the temperature interval in which a chemical reaction occurs. The heat diffusion equation is then solved numerically for a semi-infinite gas medium with constant initial and boundary conditions. These solutions are in a dimensionless form applicable to gases in general, and they are used, along with measured shock velocity and heat flux through a shock reflecting surface, to evaluate the integral of thermal conductivity for air up to 5000 degrees Kelvin. This integral has the properties of a heat flux potential and replaces temperature as the dependent variable for problems of heat diffusion in media with variable coefficients. Examples are given in which the heat flux at the stagnation region of blunt hypersonic bodies is expressed in terms of this potential.

KOH concentration effect on the cycle life of nickel-hydrogen cells. Part 4: Results of failure analyses

Science.gov (United States)

Lim, H. S.; Verzwyvelt, S. A.

1989-01-01

KOH concentration effects on cycle life of a Ni/H2 cell have been studied by carrying out a cycle life test of ten Ni/H2 boiler plate cells which contain electrolytes of various KOH concentrations. Failure analyses of these cells were carried out after completion of the life test which accumulated up to 40,000 cycles at an 80 percent depth of discharge over a period of 3.7 years. These failure analyses included studies on changes of electrical characteristics of test cells and component analyses after disassembly of the cell. The component analyses included visual inspections, dimensional changes, capacity measurements of nickel electrodes, scanning electron microscopy, BET surface area measurements, and chemical analyses. Results have indicated that failure mode and change in the nickel electrode varied as the concentration was varied, especially, when the concentration was changed from 31 percent or higher to 26 percent or lower.

Test plan for Digface Chemical and Radiation Assay System

International Nuclear Information System (INIS)

Akers, D.W.

1993-07-01

The Digface Chemical and Radiation Assay System (CRAS) Project will develop a sensor using Prompt Gamma Neutron Activation Analysis (PGNAA) that can detect the present of hazardous chemicals and radioactive materials. The CRAS is being designed for in situ assay of closed drums and contaminated soils for gamma-ray emitting radionuclides and hazardous elements. The CRAS is based upon the use of 252 Cf PGNAA with a germanium gamma-ray spectrometer as the analyzer. Tasks being performed include determining detection limits for a number of hazardous chemicals and assessing matrix and transmission effects through soil. Initial analyses suggest that the technique is applicable to a number of hazardous materials such as trichloroethane and carbon tetrachloride

Chemicals of emerging concern in water and bottom sediment in Great Lakes areas of concern, 2010 to 2011-Collection methods, analyses methods, quality assurance, and data

Science.gov (United States)

Lee, Kathy E.; Langer, Susan K.; Menheer, Michael A.; Foreman, William T.; Furlong, Edward T.; Smith, Steven G.

2012-01-01

The U.S. Geological Survey (USGS) cooperated with the U.S. Environmental Protection Agency and the U.S. Fish and Wildlife Service on a study to identify the occurrence of chemicals of emerging concern (CECs) in water and bottom-sediment samples collected during 2010–11 at sites in seven areas of concern (AOCs) throughout the Great Lakes. Study sites include tributaries to the Great Lakes in AOCs located near Duluth, Minn.; Green Bay, Wis.; Roches­ter, N.Y.; Detroit, Mich.; Toledo, Ohio; Milwaukee, Wis.; and Ashtabula, Ohio. This report documents the collection meth­ods, analyses methods, quality-assurance data and analyses, and provides the data for this study. Water and bottom-sediment samples were analyzed at the USGS National Water Quality Laboratory in Denver, Colo., for a broad suite of CECs. During this study, 135 environmental and 23 field dupli­cate samples of surface water and wastewater effluent, 10 field blank water samples, and 11 field spike water samples were collected and analyzed. Sixty-one of the 69 wastewater indicator chemicals (laboratory method 4433) analyzed were detected at concentrations ranging from 0.002 to 11.2 micrograms per liter. Twenty-eight of the 48 pharmaceuticals (research method 8244) analyzed were detected at concentrations ranging from 0.0029 to 22.0 micro­grams per liter. Ten of the 20 steroid hormones and sterols analyzed (research method 4434) were detected at concentrations ranging from 0.16 to 10,000 nanograms per liter. During this study, 75 environmental, 13 field duplicate samples, and 9 field spike samples of bottom sediment were collected and analyzed for a wide variety of CECs. Forty-seven of the 57 wastewater indicator chemicals (laboratory method 5433) analyzed were detected at concentrations ranging from 0.921 to 25,800 nanograms per gram. Seventeen of the 20 steroid hormones and sterols (research method 6434) analyzed were detected at concentrations ranging from 0.006 to 8,921 nanograms per gram. Twelve of

Risk analyses of nuclear power plants

International Nuclear Information System (INIS)

Jehee, J.N.T.; Seebregts, A.J.

1991-02-01

Probabilistic risk analyses of nuclear power plants are carried out by systematically analyzing the possible consequences of a broad spectrum of causes of accidents. The risk can be expressed in the probabilities for melt down, radioactive releases, or harmful effects for the environment. Following risk policies for chemical installations as expressed in the mandatory nature of External Safety Reports (EVRs) or, e.g., the publication ''How to deal with risks'', probabilistic risk analyses are required for nuclear power plants

Elaboration process, chemical and sensory analyses of fried-salted soybean

Directory of Open Access Journals (Sweden)

Gayol, María F.

2010-09-01

Full Text Available The purpose of this work was to develop an elaboration process of fried-salted soybean and to determine the chemical composition, consumer acceptance and sensory description of the product. Different fried-salted soybean products were obtained under different temperature and time conditions by maceration in water, roasting and frying. Four of the best products were selected and evaluated by consumers (overall, color and texture acceptances: FSS1, FSS2, FSS3 and FSS4. The product with the highest consumer acceptance (7 = “like moderately” in a hedonic scale of 9 points was the one obtained by maceration at 100°C during 10 min and fried at 170°C for 5 min (FSS3. Proximate and fatty acid composition along with sensory attribute intensity ratings from descriptive analyses were determined on the fried-salted soybean with the highest consumer acceptance (FSS3. Proximate and fatty acid composition were also determined in raw soybeans. FSS3 had lower percentages of moisture and proteins, and higher lipids and carbohydrates than raw soybean. The use of sunflower oil in the frying process improved the fatty acid composition of the soybean product. Sensory attributes from descriptive analyses that were detected in high intensity ratings for the product were roasted, salty, crunchiness, hardness, brown color and gloss. This product is neither commonly consumed nor easily available in markets. It could be promoted to be consumed as a snack because of its high nutritional and sensory quality.

El propósito de este trabajo fue desarrollar un proceso de elaboración de soja frita salada, determinar la composición química, la aceptabilidad por consumidores y la descripción sensorial del producto. Diferentes productos de soja frita salada fueron obtenidos bajo diferentes condiciones de temperatura y tiempo de: maceración, tostado y fritura. Los consumidores evaluaron y seleccionaron los cuatro mejores productos, los que presentaron mayor aceptaci

Toxicity and chemical analyses of airport runoff waters in Poland.

Science.gov (United States)

Sulej, Anna Maria; Polkowska, Zaneta; Wolska, Lidia; Cieszynska, Monika; Namieśnik, Jacek

2014-05-01

The aim of this study was to assess the ecotoxicological effects of various compounds in complex airport effluents using a chemical and ecotoxicological integrated strategy. The present work deals with the determination of sum of PCBs, PAHs, pesticides, cations, anions, phenols, anionic, cationic, non-ionic detergents, formaldehyde and metals--as well as TOC and conductivity--in runoff water samples collected from 2009 to 2011 at several locations on two Polish international airports. Two microbiotests (Vibrio fischeri bacteria and the crustacean Thamnocephalus platyurus) have been used to determine the ecotoxicity of airport runoff waters. The levels of many compounds exceeded several or even several tens of times the maximum permissible levels. Analysis of the obtained data shows that samples that displayed maximum toxicity towards the bioindicators Vibrio fischeri were not toxic towards Thamnocephalus platyurus. Levels of toxicity towards T. platyurus are strongly correlated with pollutants that originate from the technological operations related to the maintenance of airport infrastructure. The integrated (chemical-ecotoxicological) approach to environmental contamination assessment in and around airports yields extensive information on the quality of the environment. These methodologies can be then used as tools for tracking the environmental fate of these compounds and for assessing the environmental effect of airports. Subsequently, these data will provide a basis for airport infrastructure management.

Fragrance chemicals in domestic and occupational products

DEFF Research Database (Denmark)

Rastogi, Suresh Chandra; Heydorn, S; Johansen, J D

2001-01-01

Epidemiological studies have described an increasing prevalence of fragrance allergy and indicated an association with hand eczema. 59 domestic and occupational products intended for hand exposure were subjected to gas chromatography-mass spectrometric (GC-MS) analyses to test the hypothesis...... that fragrance chemicals known to have the potential to cause contact allergy but not included in fragrance mix (FM) may be common ingredients in these products. A quantitative analysis of 19 selected fragrances was performed by GC-MS. Further analysis of GC-MS data revealed the presence of 43 other fragrance...... chemicals/groups of fragrance chemicals in the products investigated. Among the 19 target substances the most commonly detected were limonene in 78%, linalool in 61% and citronellol in 47% of the products investigated. The FM ingredients were present in these products with the following frequencies: oak...

DNA sequence analyses of blended herbal products including synthetic cannabinoids as designer drugs.

Science.gov (United States)

Ogata, Jun; Uchiyama, Nahoko; Kikura-Hanajiri, Ruri; Goda, Yukihiro

2013-04-10

In recent years, various herbal products adulterated with synthetic cannabinoids have been distributed worldwide via the Internet. These herbal products are mostly sold as incense, and advertised as not for human consumption. Although their labels indicate that they contain mixtures of several potentially psychoactive plants, and numerous studies have reported that they contain a variety of synthetic cannabinoids, their exact botanical contents are not always clear. In this study, we investigated the origins of botanical materials in 62 Spice-like herbal products distributed on the illegal drug market in Japan, by DNA sequence analyses and BLAST searches. The nucleotide sequences of four regions were analyzed to identify the origins of each plant species in the herbal mixtures. The sequences of "Damiana" (Turnera diffusa) and Lamiaceae herbs (Mellissa, Mentha and Thymus) were frequently detected in a number of products. However, the sequences of other plant species indicated on the packaging labels were not detected. In a few products, DNA fragments of potent psychotropic plants were found, including marijuana (Cannabis sativa), "Diviner's Sage" (Salvia divinorum) and "Kratom" (Mitragyna speciosa). Their active constituents were also confirmed using gas chromatography-mass spectrometry (GC-MS) and liquid chromatography-mass spectrometry (LC-MS), although these plant names were never indicated on the labels. Most plant species identified in the products were different from the plants indicated on the labels. The plant materials would be used mainly as diluents for the psychoactive synthetic compounds, because no reliable psychoactive effects have been reported for most of the identified plants, with the exception of the psychotropic plants named above. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Applying Data Mining Techniques to Chemical Analyses of Pre-drill Groundwater Samples within the Marcellus Formation Shale Play in Bradford County, Pennsylvania

Science.gov (United States)

Wen, T.; Niu, X.; Gonzales, M. S.; Li, Z.; Brantley, S.

2017-12-01

Groundwater samples are collected for chemical analyses by shale gas industry consultants in the vicinity of proposed gas wells in Pennsylvania. These data sets are archived so that the chemistry of water from homeowner wells can be compared to chemistry after gas-well drilling. Improved public awareness of groundwater quality issues will contribute to designing strategies for both water resource management and hydrocarbon exploration. We have received water analyses for 11,000 groundwater samples from PA Department of Environmental Protection (PA DEP) in the Marcellus Shale footprint in Bradford County, PA for the years ranging from 2010 to 2016. The PA DEP has investigated these analyses to determine whether gas well drilling or other activities affected water quality. We are currently investigating these analyses to look for patterns in chemistry throughout the study area (related or unrelated to gas drilling activities) and to look for evidence of analytes that may be present at concentrations higher than the advised standards for drinking water. Our preliminary results reveal that dissolved methane concentrations tend to be higher along fault lines in Bradford County [1]. Lead (Pb), arsenic (As), and barium (Ba) are sometimes present at levels above the EPA maximum contaminant level (MCL). Iron (Fe) and manganese (Mn) more frequently violate the EPA standard. We find that concentrations of some chemical analytes (e.g., Ba and Mn) are dependent on bedrock formations (i.e., Catskill vs. Lock Haven) while concentrations of other analytes (e.g., Pb) are not statistically significantly distinct between different bedrock formations. Our investigations are also focused on looking for correlations that might explain water quality patterns with respect to human activities such as gas drilling. However, percentages of water samples failing EPA MCL with respect to Pb, As, and Ba have decreased from previous USGS and PSU studies in the 1990s and 2000s. Public access to

Chemical and microstructural analyses for heavy metals removal from water media by ceramic membrane filtration.

Science.gov (United States)

Ali, Asmaa; Ahmed, Abdelkader; Gad, Ali

2017-01-01

This study aims to investigate the ability of low cost ceramic membrane filtration in removing three common heavy metals namely; Pb 2+ , Cu 2+ , and Cd 2+ from water media. The work includes manufacturing ceramic membranes with dimensions of 15 by 15 cm and 2 cm thickness. The membranes were made from low cost materials of local clay mixed with different sawdust percentages of 0.5%, 2.0%, and 5.0%. The used clay was characterized by X-ray diffraction (XRD) and X-ray fluorescence analysis. Aqueous solutions of heavy metals were prepared in the laboratory and filtered through the ceramic membranes. The influence of the main parameters such as pH, initial driving pressure head, and concentration of heavy metals on their removal efficiency by ceramic membranes was investigated. Water samples were collected before and after the filtration process and their heavy metal concentrations were determined by chemical analysis. Moreover, a microstructural analysis using scanning electronic microscope (SEM) was performed on ceramic membranes before and after the filtration process. The chemical analysis results showed high removal efficiency up to 99% for the concerned heavy metals. SEM images approved these results by showing adsorbed metal ions on sides of the internal pores of the ceramic membranes.

Assessment of Surface Water Quality in the Malaysian Coastal Waters by Using Multivariate Analyses

International Nuclear Information System (INIS)

Yap, C.K.; Chee, M.W.; Shamarina, S.; Edward, F.B.; Chew, W.; Tan, S.G.

2011-01-01

Coastal water samples were collected from 20 sampling sites in the southern part of Peninsular Malaysia. Seven physico-chemical parameters were measured directly in-situ while water samples were collected and analysed for 6 dissolved trace metal concentrations. The surface water (0-20 cm) physico-chemical parameters including temperature, salinity, dissolved oxygen (DO), pH, total dissolved solids (TDS), specific conductance (SpC) and turbidity while the dissolved trace metals were Cd, Cu, Fe, Ni, Pb and Zn. The ranges for the physico-chemical parameters were 28.07-35.6 degree Celsius for temperature, 0.18-32.42 ppt for salinity, 2.20-12.03 mg/ L for DO, 5.50-8.53 for pH, 0.24-31.65 mg/ L for TDS, 368-49452 μS/ cm for SpC and 0-262 NTU for turbidity while the dissolved metals (mg/ L) were 0.013-0.147 for Cd, 0.024-0.143 for Cu, 0.266-2.873 for Fe, 0.027-0.651 for Ni, 0.018-0.377 for Pb and 0.032-0.099 for Zn. Based on multivariate analysis (including correlation, cluster and principal component analyses), the polluted sites were found at Kg. Pasir Puteh and Tg. Kupang while Ni and Pb were identified as two major dissolved metals of high variation in the coastal waters. Therefore, water quality monitoring and control of release of untreated anthropogenic wastes into rivers and coastal waters are strongly needed. (author)

Numerical tables on physical and chemical analyses of Rhine water 1983

International Nuclear Information System (INIS)

1984-01-01

The numerical tables contain the measuring results of the physical-chemical studies on the Rhine water for the year 1983. The tables are arranged by general parameters, organic matter, eutrophicating substances, anorganic matter, metals, organic micropollution as well as by radioactivity (total alpha- or beta- and T-activity). (MM) [de

Amazing variational approach to chemical reactions

OpenAIRE

Fernández, Francisco M.

2009-01-01

In this letter we analyse an amazing variational approach to chemical reactions. Our results clearly show that the variational expressions are unsuitable for the analysis of empirical data obtained from chemical reactions.

A combined approach to investigate the toxicity of an industrial landfill's leachate: Chemical analyses, risk assessment and in vitro assays

International Nuclear Information System (INIS)

Baderna, D.; Maggioni, S.; Boriani, E.; Gemma, S.; Molteni, M.; Lombardo, A.; Colombo, A.; Bordonali, S.; Rotella, G.; Lodi, M.; Benfenati, E.

2011-01-01

Solid wastes constitute an important and emerging problem. Landfills are still one of the most common ways to manage waste disposal. The risk assessment of pollutants from landfills is becoming a major environmental issue in Europe, due to the large number of sites and to the importance of groundwater protection. Furthermore, there is lack of knowledge for the environmental, ecotoxicological and toxicological characteristics of most contaminants contained into landfill leacheates. Understanding leachate composition and creating an integrated strategy for risk assessment are currently needed to correctly face the landfill issues and to make projections on the long-term impacts of a landfill, with particular attention to the estimation of possible adverse effects on human health and ecosystem. In the present study, we propose an integrated strategy to evaluate the toxicity of the leachate using chemical analyses, risk assessment guidelines and in vitro assays using the hepatoma HepG2 cells as a model. The approach was applied on a real case study: an industrial waste landfill in northern Italy for which data on the presence of leachate contaminants are available from the last 11 years. Results from our ecological risk models suggest important toxic effects on freshwater fish and small rodents, mainly due to ammonia and inorganic constituents. Our results from in vitro data show an inhibition of cell proliferation by leachate at low doses and cytotoxic effect at high doses after 48 h of exposure. - Research highlights: → We study the toxicity of leachate from a non-hazardous industrial waste landfill. → We perform chemical analyses, risk assessments and in vitro assays on HepG2 cells. → Risk models suggest toxic effects due to ammonia and inorganic constituents. → In vitro assays show that leachate inhibits cell proliferation at low doses. → Leachate can induce cytotoxic effects on HepG2 cells at high doses.

Including Below Detection Limit Samples in Post Decommissioning Soil Sample Analyses

Energy Technology Data Exchange (ETDEWEB)

Kim, Jung Hwan; Yim, Man Sung [KAIST, Daejeon (Korea, Republic of)

2016-05-15

To meet the required standards the site owner has to show that the soil at the facility has been sufficiently cleaned up. To do this one must know the contamination of the soil at the site prior to clean up. This involves sampling that soil to identify the degree of contamination. However there is a technical difficulty in determining how much decontamination should be done. The problem arises when measured samples are below the detection limit. Regulatory guidelines for site reuse after decommissioning are commonly challenged because the majority of the activity in the soil at or below the limit of detection. Using additional statistical analyses of contaminated soil after decommissioning is expected to have the following advantages: a better and more reliable probabilistic exposure assessment, better economics (lower project costs) and improved communication with the public. This research will develop an approach that defines an acceptable method for demonstrating compliance of decommissioned NPP sites and validates that compliance. Soil samples from NPP often contain censored data. Conventional methods for dealing with censored data sets are statistically biased and limited in their usefulness.

Engineering Education: Environmental and Chemical Engineering or Technology Curricula--A European Perspective

Science.gov (United States)

Glavic, Peter; Lukman, Rebeka; Lozano, Rodrigo

2009-01-01

Over recent years, universities have been incorporating sustainable development (SD) into their systems, including their curricula. This article analyses the incorporation of SD into the curricula of chemical and environmental engineering or technology bachelor degrees at universities in the European Union (EU) and European Free Trade Association…

Robustness assessments are needed to reduce bias in meta-analyses that include zero-event randomized trials

DEFF Research Database (Denmark)

Keus, F; Wetterslev, J; Gluud, C

2009-01-01

of statistical method on inference. RESULTS: In seven meta-analyses of seven outcomes from 15 trials, there were zero-event trials in 0 to 71.4% of the trials. We found inconsistency in significance in one of seven outcomes (14%; 95% confidence limit 0.4%-57.9%). There was also considerable variability......OBJECTIVES: Meta-analysis of randomized trials with binary data can use a variety of statistical methods. Zero-event trials may create analytic problems. We explored how different methods may impact inferences from meta-analyses containing zero-event trials. METHODS: Five levels of statistical...... methods are identified for meta-analysis with zero-event trials, leading to numerous data analyses. We used the binary outcomes from our Cochrane review of randomized trials of laparoscopic vs. small-incision cholecystectomy for patients with symptomatic cholecystolithiasis to illustrate the influence...

Chemical characterisation of zircon-cadmium sulfoselenide ceramic pigments

International Nuclear Information System (INIS)

Gazulla Barreda, M. F.; Rodrigo Edo, M.; Blasco Roca, E.; Orduna Cordero, M.

2013-01-01

The present paper addresses the development of a methodology that allows the complete chemical characterisation of zircon cadmium sulfoselenide ceramic pigments including minor and major elements. To develop the methodology, five zircon-cadmium sulfoselenide pigments with different hues were selected, studying the different measurement process steps, from sample preparation to the optimisation of the measurement of the different components of the pigments by spectroscopic techniques (WD-XRF and elemental analysis by combustion and IR detection). The chemical characterisation method developed was validated with synthetic standards prepared from the mixture of certified reference materials and pure oxides because no certified referenced materials of this type of pigments were commercially available. The developed method can be used for a complete chemical characterization of zircon-cadmium sulfoselenide ceramic pigments with a very low uncertainty for all the elements analysed. (Author)

Final report on the sampling and analysis of sediment cores from the L-Area oil and chemical basin

Energy Technology Data Exchange (ETDEWEB)

1985-08-01

Nine vibracores were collected in the L-Area oil and chemical basin (904-83G) during late March and early April 1985. These cores were collected for analysis of the sludge on the basin floor and the underlying sediment. Several different field and laboratory analyses were performed on each three inch segment of all the cores. These included: (1) Sediment characterization; (2) Percent moisture; (3) Dry weight; (4) Spectral gamma analysis; (5) Gross alpha and beta analysis. Detailed chemical analysis were measured on selected intervals of 2 cores (LBC-5 and 6) for complete chemical characterization of the sediments. This sampling program was conducted to provide information so that a closure plan for the basin could be developed. This report describes the methods employed during the project and provide a hard copy of the analytical results from the sample analyses. Included in the appendices are copies of all field and laboratory notes taken during the project and copies of the gas chromatograms for the petroleum hydrocarbon analysis. All chemical results were also submitted on a 5-inch floppy disk.

Analysis of chemical constituents in Cistanche species.

Science.gov (United States)

Jiang, Yong; Tu, Peng-Fei

2009-03-13

Species of the genus of Cistanche (Rou Cong Rong in Chinese) are perennial parasite herbs, and are mainly distributed in arid lands and warm deserts. As a superior tonic for the treatment of kidney deficiency, impotence, female infertility, morbid leucorrhea, profuse metrorrhagia and senile constipation, Cistanche herbs earned the honor of "Ginseng of the desert". Recently, there has been increasing scientific attention on Herba Cistanche for its remarkable bioactivities including antioxidation, neuroprotection, and anti-aging. The chemical constituents of Cistanche plants mainly include volatile oils and non-volatile phenylethanoid glycosides (PhGs), iridoids, lignans, alditols, oligosaccharides and polysaccharides. Pharmacological studies show that PhGs are the main active components for curing kidney deficiency, antioxidation and neuroprotection; galactitol and oligosaccharides are the representatives for the treatment of senile constipation, while polysaccharides are responsible for improving body immunity. In this paper, the advances on the chemical constituents of Cistanche plants and their corresponding analyses are reviewed.

Chemical modification and blending of polymers in an extruder reactor

International Nuclear Information System (INIS)

Prut, Eduard V; Zelenetskii, Alexandr N

2001-01-01

Chemical modification and blending of polymers in an extruder reactor are discussed. Relationships between the parameters affecting the reaction kinetics, viz., mixing time, duration of a chemical reaction and the residence time of the system in the extruder reactor, and the structure of the materials produced are analysed. The mechanisms of (i) grafting of low-molecular-mass compounds onto polymers; (ii) reactions between terminal groups of different polymers and (iii) transesterification and interchange reactions are considered. The factors affecting the mechanism of dynamic vulcanisation and the properties of thermoplastic elastomers are identified. Solid-phase reactions of polysaccharides in an extruder are discussed. The priority aspects of studies on the chemical modification and blending of polymers are noted. The bibliography includes 90 references.

Electron probe micro analyser chemical zircon ages of the Khetri granitoids, Rajasthan, India: records of widespread late palaeoproterozoic extension-related magmatism

International Nuclear Information System (INIS)

Kaur, Parampreet; Chaudhri, Naveen; Biju-Sekhar, S.; Yokoyama, K.

2006-01-01

A number of granitoid plutons were emplaced in the northernmost entity of the Aravalli craton, the Khetri Copper Belt (KCB). We report here Th-U-Pb electron probe micro analyser chemical ages for zircon and monazite from two granitoid plutons of the north KCB, the Biharipur and Dabla. Zircons occurring in the granitoids depict well-developed magmatic zoning and are chronologically unzoned. Both the plutons and their diverse granitoid facies are coeval and provide ages around 1765-1710 Ma. Geochemical attributes of the studied plutons are typical of A-type within-plate granites and consistent with an extensional tectonic environment. Our new age data are comparable to the petrologically similar A-type granitoids of the Alwar region, which have provided zircon chemical ages around 1780-1710 Ma. These analogous ages imply a widespread late palaeoproterozoic extension-related plutonism in the northern part of the Aravalli craton. The monazites, which were recovered only from the mafic magmatic rocks of the Biharipur pluton, yielded an isochron age of 910 ±10 Ma, signifying an over- print of a younger neoproterozoic thermal event in the region. (author)

Conceptual Chemical Process Design for Sustainability.

Science.gov (United States)

This chapter examines the sustainable design of chemical processes, with a focus on conceptual design, hierarchical and short-cut methods, and analyses of process sustainability for alternatives. The chapter describes a methodology for incorporating process sustainability analyse...

Plasma-chemical processes and systems

International Nuclear Information System (INIS)

Castro B, J.

1987-01-01

The direct applications of plasma technology on chemistry and metallurgy are presented. The physical fundaments of chemically active non-equilibrium plasma, the reaction kinetics, and the physical chemical transformations occuring in the electrical discharges, which are applied in the industry, are analysed. Some plasma chemical systems and processes related to the energy of hydrogen, with the chemical technology and with the metallurgy are described. Emphasis is given to the optimization of the energy effectiveness of these processes to obtain reducers and artificial energetic carriers. (M.C.K.) [pt

Chemical analyses for selected wells in San Joaquin County and part of Contra Costa County, California

Science.gov (United States)

Keeter, Gail L.

1980-01-01

The study area of this report includes the eastern valley area of Contra Costa County and all of San Joaquin County, an area of approximately 1,600 square miles in the northern part of the San Joaquin Valley, Calif. Between December 1977 and December 1978, 1,489 wells were selectively canvassed. During May and June in 1978 and 1979, water samples were collected for chemical analysis from 321 of these wells. Field determinations of alkalinity, conductance, pH, and temperature were made, and individual constituents were analyzed. This report is the fourth in a series of baseline data reports on wells in the Sacramento and San Joaquin Valleys. (USGS)

Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor Space.

Science.gov (United States)

Miyao, Tomoyuki; Funatsu, Kimito

2017-08-01

When chemical structures are searched based on descriptor values, or descriptors are interpreted based on values, it is important that corresponding chemical structures actually exist. In order to consider the existence of chemical structures located in a specific region in the chemical space, we propose to search them inside training data domains (TDDs), which are dense areas of a training dataset in the chemical space. We investigated TDDs' features using diverse and local datasets, assuming that GDB11 is the chemical universe. These two analyses showed that considering TDDs gives higher chance of finding chemical structures than a random search-based method, and that novel chemical structures actually exist inside TDDs. In addition to those findings, we tested the hypothesis that chemical structures were distributed on the limited areas of chemical space. This hypothesis was confirmed by the fact that distances among chemical structures in several descriptor spaces were much shorter than those among randomly generated coordinates in the training data range. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

LCA of Chemicals and Chemical Products

DEFF Research Database (Denmark)

Fantke, Peter; Ernstoff, Alexi

2018-01-01

This chapter focuses on the application of Life Cycle Assessment (LCA) to evaluate the environmental performance of chemicals as well as of products and processes where chemicals play a key role. The life cycle stages of chemical products, such as pharmaceuticals drugs or plant protection products......, are discussed and differentiated into extraction of abiotic and biotic raw materials, chemical synthesis and processing, material processing, product manufacturing, professional or consumer product use, and finally end-of-life . LCA is discussed in relation to other chemicals management frameworks and concepts...... including risk assessment , green and sustainable chemistry , and chemical alternatives assessment. A large number of LCA studies focus on contrasting different feedstocks or chemical synthesis processes, thereby often conducting a cradle to (factory) gate assessment. While typically a large share...

Mobile app for chemical detection

Science.gov (United States)

Klunder, Gregory; Cooper, Chadway R.; Satcher, Jr., Joe H.; Tekle, Ephraim A.

2017-07-18

The present invention incorporates the camera from a mobile device (phone, iPad, etc.) to capture an image from a chemical test kit and process the image to provide chemical information. A simple user interface enables the automatic evaluation of the image, data entry, gps info, and maintain records from previous analyses.

Chemical analysis of high purity graphite

International Nuclear Information System (INIS)

1993-03-01

The Sub-Committee on Chemical Analysis of Graphite was organized in April 1989, under the Committee on Chemical Analysis of Nuclear Fuels and Reactor Materials, JAERI. The Sub-Committee carried out collaborative analyses among eleven participating laboratories for the certification of the Certified Reference Materials (CRMs), JAERI-G5 and G6, after developing and evaluating analytical methods during the period of September 1989 to March 1992. The certified values were given for ash, boron and silicon in the CRM based on the collaborative analysis. The values for ten elements (Al, Ca, Cr, Fe, Mg, Mo, Ni, Sr, Ti, V) were not certified, but given for information. Preparation, homogeneity testing and chemical analyses for certification of reference materials were described in this paper. (author) 52 refs

Operationalising UN security council resolution 1540: an overview of select practical activities in the chemical and biological weapon-related areas

International Nuclear Information System (INIS)

Hart, J.

2009-01-01

The UN member states are continuing to take measures to inter alia establish and effectively implement controls to prevent the proliferation of nuclear, biological and chemical weapons and their means of delivery in accordance with United Nations Security Council Resolution 1540 (2004). The resolution also encourages enhanced international cooperation on such efforts, including by working through the 1540 Committee. Most analyses on the implementation of the resolution have focused on nuclear issues. This presentation provides an overview of select practical activities in the chemical and biological weapon-related areas, including chemical product classification and identification, biosafety and biosecurity practices and criminal prosecutions for unauthorised chemical transfers.(author)

Photon level chemical classification using digital compressive detection

International Nuclear Information System (INIS)

Wilcox, David S.; Buzzard, Gregery T.; Lucier, Bradley J.; Wang Ping; Ben-Amotz, Dor

2012-01-01

Highlights: ► A new digital compressive detection strategy is developed. ► Chemical classification demonstrated using as few as ∼10 photons. ► Binary filters are optimal when taking few measurements. - Abstract: A key bottleneck to high-speed chemical analysis, including hyperspectral imaging and monitoring of dynamic chemical processes, is the time required to collect and analyze hyperspectral data. Here we describe, both theoretically and experimentally, a means of greatly speeding up the collection of such data using a new digital compressive detection strategy. Our results demonstrate that detecting as few as ∼10 Raman scattered photons (in as little time as ∼30 μs) can be sufficient to positively distinguish chemical species. This is achieved by measuring the Raman scattered light intensity transmitted through programmable binary optical filters designed to minimize the error in the chemical classification (or concentration) variables of interest. The theoretical results are implemented and validated using a digital compressive detection instrument that incorporates a 785 nm diode excitation laser, digital micromirror spatial light modulator, and photon counting photodiode detector. Samples consisting of pairs of liquids with different degrees of spectral overlap (including benzene/acetone and n-heptane/n-octane) are used to illustrate how the accuracy of the present digital compressive detection method depends on the correlation coefficients of the corresponding spectra. Comparisons of measured and predicted chemical classification score plots, as well as linear and non-linear discriminant analyses, demonstrate that this digital compressive detection strategy is Poisson photon noise limited and outperforms total least squares-based compressive detection with analog filters.

Chemical leasing in the context of sustainable chemistry.

Science.gov (United States)

Moser, Frank; Karavezyris, Vassilios; Blum, Christopher

2015-05-01

Chemical leasing is a new and innovative approach of selling chemicals. It aims at reducing the risks emanating from hazardous substances and ensuring long-term economic success within a global system of producing and using chemicals. This paper explores how, through chemical leasing, the consumption of chemicals, energy, resources and the generation of related wastes can be reduced. It also analyses the substitution of hazardous chemicals as a tool to protect environmental, health and safety and hence ensure compliance with sustainability criteria. For this, we are proposing an evaluation methodology that seeks to provide an answer to the following research questions: (1) Does the application of chemical leasing promote sustainability in comparison to an existing chemicals production and management system? 2. If various chemical leasing project types are envisaged, which is the most promising in terms of sustainability? The proposed methodology includes a number of basic goals and sub-goals to assess the sustainability for eight different chemical leasing case studies that have been implemented both at the local and the national levels. The assessment is limited to the relative assessment of specific case studies and allows the comparisons of different projects in terms of their relative contribution to sustainable chemistry. The findings of our assessment demonstrate that chemical leasing can be regarded as promoting sustainable chemistry in five case studies with certainty. However, on the grounds of our assessment, we cannot conclude with certainty that chemical leasing has equivalent contribution to sustainable chemistry in respect of three further case studies.

Chemical information from Auger electron spectroscopy

International Nuclear Information System (INIS)

Madden, H.H.

1981-01-01

The nature of chemical information in Auger electron spectroscopy (AES) data is reviewed with special emphasis on data from solid surface systems. Two strategies are most frequently used to extract this information: (i) measuring and analyzing energy (chemical) shifts in Auger peaks; and (ii) making use of the shapes of Auger signals to determine the chemical environment at the site of the initial core hole. Chemical shift data are primarily illustrated by highlighting the interaction of oxygen with solids; and analyses of these data based on core-level binding-energy shifts, relaxation, and hole--hole interactions are outlined and discussed. Auger transitions that involve valence electrons are usually those for which lineshapes are taken as indications of the local chemistry at the initial core-hole site. Attempts at extracting valence band density-of-states information from lineshapes are proving successful and this approach to the surface chemical information in AES is illustrated with the aid of examples dealing with the interaction of silicon with hydrogen and with oxygen. The use of the AES lineshapes simply as ''fingerprints'' of the core-hole-site chemistry is examined and illustrated by examples which include studies of silicon nitride properties, of solid surface properties related to catalytic reactions, and of passive films on iron. Auger decay activated desorption processes are briefly examined and found to promise new and unique chemical information when combined with conventional AES. Some gas phase AES studies are also briefly reviewed

Fracture Toughness, Mechanical Property, And Chemical Characterization Of A Critical Modification To The NASA SLS Solid Booster Internal Material System

Science.gov (United States)

Pancoast, Justin; Garrett, William; Moe, Gulia

2015-01-01

A modified propellant-liner-insulation (PLI) bondline in the Space Launch System (SLS) solid rocket booster required characterization for flight certification. The chemical changes to the PLI bondline and the required additional processing have been correlated to mechanical responses of the materials across the bondline. Mechanical properties testing and analyses included fracture toughness, tensile, and shear tests. Chemical properties testing and analyses included Fourier transform infrared (FTIR) spectroscopy, cross-link density, high-performance liquid chromatography (HPLC), gas chromatography (GC), gel permeation chromatography (GPC), and wave dispersion X-ray fluorescence (WDXRF). The testing identified the presence of the expected new materials and found the functional bondline performance of the new PLI system was not significantly changed from the old system.

Effort problem of chemical pipelines

Energy Technology Data Exchange (ETDEWEB)

Okrajni, J.; Ciesla, M.; Mutwil, K. [Silesian Technical University, Katowice (Poland)

1998-12-31

The problem of the technical state assessment of the chemical pipelines working under mechanical and thermal loading has been shown in the paper. The pipelines effort after the long time operating period has been analysed. Material geometrical and loading conditions of the crack initiation and crack growth process in the chosen object has been discussed. Areas of the maximal effort have been determined. The material structure charges after the long time operating period have been described. Mechanisms of the crack initiation and crack growth in the pipeline elements have been analysed and mutual relations between the chemical and mechanical influences have been shown. (orig.) 16 refs.

A comprehensive study of the toxicity of natural multi-contaminated sediments: New insights brought by the use of a combined approach using the medaka embryo-larval assay and physico-chemical analyses.

Science.gov (United States)

Barjhoux, Iris; Clérandeau, Christelle; Menach, Karyn Le; Anschutz, Pierre; Gonzalez, Patrice; Budzinski, Hélène; Morin, Bénédicte; Baudrimont, Magalie; Cachot, Jérôme

2017-08-01

Sediment compartment is a long term sink for pollutants and a secondary source of contamination for aquatic species. The abiotic factors controlling the bioavailability and thus the toxicity of complex mixtures of pollutants accumulated in sediments are poorly documented. To highlight the different factors influencing sediment toxicity, we identified and analyzed the physico-chemical properties, micro-pollutant contents, and toxicity level of six contrasted sediments in the Lot-Garonne continuum. Sediment toxicity was evaluated using the recently described Japanese medaka (Oryzias latipes) embryo-larval assay with direct exposure to whole sediment (MELAc). Multiple toxicity endpoints including embryotoxicity, developmental defects and DNA damage were analyzed in exposed embryos. Chemical analyses revealed significant variations in the nature and contamination profile of sediments, mainly impacted by metallic trace elements and, unexpectedly, polycyclic aromatic hydrocarbons. Exposure to sediments induced different toxic impacts on medaka early life stages when compared with the reference site. Principal component analysis showed that the toxic responses following exposure to sediments from the Lot River and its tributary were associated with micro-pollutant contamination: biometric measurements, hatching success, genotoxicity, craniofacial deformities and yolk sac malabsorption were specifically correlated to metallic and organic contaminants. Conversely, the main biological responses following exposure to the Garonne River sediments were more likely related to their physico-chemical properties than to their contamination level. Time to hatch, cardiovascular injuries and spinal deformities were correlated to organic matter content, fine particles and dissolved oxygen levels. These results emphasize the necessity of combining physico-chemical analysis of sediment with toxicity assessment to accurately evaluate the environmental risks associated with sediment

Vascugraft polyurethane arterial prosthesis as femoro-popliteal and femoro-peroneal bypasses in humans: pathological, structural and chemical analyses of four excised grafts.

Science.gov (United States)

Zhang, Z; Marois, Y; Guidoin, R G; Bull, P; Marois, M; How, T; Laroche, G; King, M W

1997-01-01

Following positive results obtained in in vitro studies and in vivo implantations in animals, a clinical trial using the Vascugraft polyurethane arterial prosthesis as a below-knee substitute was undertaken in 15 patients. Eight grafts became occluded during the first year, and segments from four of them were explanted and made available for pathological, structural and chemical investigations. The implantation periods ranged from 21 to 358 days. Failures were associated with kinking (one case), possible anastomotic mismatch between the graft and the artery (one case), and poor run-off (two cases). No organized collagenous internal encapsulation was noted; however, endothelial-like cells were observed at the anastomotic site of one graft. No significant structural degradation of the prostheses was observed in those grafts implanted for 21, 38 and 46 days. Some deteriorations in the fibrous structure were observed on the external surface of the prosthesis implanted for 358 days. High-resolution carbon C1s analysis by ESCA demonstrated a 60 to 80% decrease in carbonate content on the surface of all explanted prostheses. Chemical analyses of each polyurethane graft by IR, SEC and DSC revealed no significant chemical changes. The clinical performance of the Vascugraft prosthesis for below-knee implantation proved to be no more impressive than that of expanded polytetrafluorethylene, the currently accepted reference. The decision by B. Braun Melsungen AG to end this program is therefore to be regarded as highly professional.

Chemical meningitis related to intra-CSF liposomal cytarabine.

Science.gov (United States)

Durand, Bénédicte; Zairi, Fahed; Boulanger, Thomas; Bonneterre, Jacques; Mortier, Laurent; Le Rhun, Emilie

2017-10-01

Therapeutic options of leptomeningeal metastases include intra-cerebrospinal fluid (CSF) chemotherapy. Among intra-CSF agents, liposomal cytarabine has advantages but can induce specific toxicities. A BRAF-V600E-mutated melanoma leptomeningeal metastases patient, treated by dabrafenib and liposomal cytarabine, presented after the first injection of liposomal cytarabine with hyperthermia and headaches. Despite sterile CSF/blood analyses, extended intravenous antibiotics were given and the second injection was delayed. The diagnosis of chemical meningitis was finally made. Dose reduction and appropriate symptomatic treatment permitted the administration of 15 injections of liposomal cytarabine combined with dabrafenib. A confirmation of the diagnosis of chemical meningitis is essential in order (1) not to delay intra-CSF or systemic chemotherapy or (2) to limit the administration of unnecessary but potentially toxic antibiotics.

Development of LLNA:DAE: a new local lymph node assay that includes the elicitation phase, discriminates borderline-positive chemicals, and is useful for cross-sensitization testing.

Science.gov (United States)

Yamashita, Kunihiko; Shinoda, Shinsuke; Hagiwara, Saori; Itagaki, Hiroshi

2014-02-01

We developed a new local lymph node assay (LLNA) that includes the elicitation phase termed LLNA:DAE for discrimination of borderline-positive chemicals as classified by the LLNA modified by Daicel based on ATP content (LLNA:DA) and for cross-sensitization testing. Although the LLNA:DA method could help identify skin sensitizers, some skin irritants classified as non-sensitizers by the LLNA were classified as borderline positive. In addition, the evaluation for the cross-sensitization potential between chemicals was impossible. In the LLNA:DAE procedure, test group of mice received four applications of chemicals on the dorsum of the right ear for induction and one application on the dorsum of the left ear for elicitation. Control group of mice received one chemical application on the dorsum of the left ear. We evaluated the sensitizing potential by comparing the weights of the lymph nodes from the left ears between the two groups. The results of using the LLNA:DAE method to examine 24 chemicals, which contained borderline-positive chemicals, were consistent with those from the LLNA method, except for nickel chloride (NiCl2). Two chemical pairs, 2,4-dinitrochlorobenzene (DNCB) with 2,4-dinitrofluorobenzene (DNFB) and hydroquinone (HQ) with p-benzoquinone (p-BQ), showed clear cross-sensitization with each other, while another chemical pair, DNFB with hexylcinnamic aldehyde (HCA) did not. Taken together, our results suggest that the LLNA:DAE method is useful for discriminating borderline-positive chemicals and for determining chemical cross-sensitization.

Ambient Monitoring for Sinclair and Dyes Inlets, Puget Sound, Washington: Chemical Analyses for 2010 Regional Mussel Watch (AMB02)

Energy Technology Data Exchange (ETDEWEB)

Brandenberger, Jill M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Kuo, Li-Jung [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Suslick, Carolynn R. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Johnston, Robert K. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2010-10-20

The Puget Sound Naval Shipyard & Intermediate Maintenance Facility (PSNS&IMF) and Naval Base Kitsap-Bremerton (Shipyard) located in Bremerton, WA are committed to a culture of continuous process improvement for all aspects of Shipyard operations, including reducing the releases of hazardous materials and waste in discharges from the Shipyard. Under the Project ENVVEST Final Project Agreement, a cooperative project among PSNS&IMF, the Environmental Protection Agency (EPA), and the Washington State Department of Ecology (Ecology), and local stakeholders (US Navy, EPA and Ecology 2002) has been helping to improve the environmental quality of the Sinclair and Dyes Inlet Watershed (ENVVEST 2006). An ambient monitoring program for sediment, water, and indigenous mussels began in 2009 to assess the status and trend of ecological resources, assess the effectiveness of cleanup and pollution control measures, and determine if discharges from all sources are protective of beneficial uses including aquatic life. This document presents the 2010 chemical residue data and stable isotopes of carbon (δ13C) and nitrogen (δ15N) for the regional mussel watch stations located in Sinclair Inlet, Dyes Inlet, Port Orchard Passage, Rich Passage, Agate Passage, Liberty Bay, and Keyport Lagoon. Indigenous bivalves were collected from a small boat and/or from along the shoreline, measured, composited, and analyzed for a suite of trace metals and organic contaminants. The trace metals included silver, arsenic, cadmium, chromium, copper, mercury, nickel, lead, and zinc. The organic contaminants included the list of NOAA Status and Trends 20 polychlorinated biphenyls (PCB) congeners and suite of parent and methylated polycyclic aromatic hydrocarbons (PAHs). These chemical residue data provide the first year of the biota ambient monitoring.

Including Bioconcentration Kinetics for the Prioritization and Interpretation of Regulatory Aquatic Toxicity Tests of Highly Hydrophobic Chemicals

DEFF Research Database (Denmark)

Kwon, Jung-Hwan; Lee, So-Young; Kang, Hyun-Joong

2016-01-01

experiments. In this work, internal concentrations of highly hydrophobic chemicals were predicted for standard acute ecotoxicity tests at three trophic levels, algae, invertebrate, and fish. As demonstrated by comparison with maximum aqueous concentrations at water solubility, chemicals with an octanol...

Industrial emerging chemicals in the environment

Directory of Open Access Journals (Sweden)

Vojinović-Miloradov Mirjana B.

2014-01-01

Full Text Available In the recent time, considerable interest has grown concerning the presence of the emerging industrial chemicals, EmIC. They are contaminants that have possible pathway to enter to the environment and they are dominantly released by industrial and anthropogenic activities. EmIC are applied in different fields using as industrial chemicals (new and recently recognized, global organic contaminants (flame retardant chemicals, pharmaceuticals (for both human and animal uses, endocrine-modulating compounds, biological metabolites, personal care products, household chemicals, nanomaterial (energy storage products, lubricants, anticorrosive and agriculture chemicals and others that are applied to a wide variety of everyday items such as clothing, upholstery, electronics and automobile interiors. NORMAN (Network of reference laboratories for monitoring of emerging environmental pollutants has established an open, dynamic, list of emerging substances and pollutants. EmIC have been recently detected in the environment due to their long-term presence, pseudo-persistence and increased use. Improvements in sophisticated analytical methods and time integrative passive sampling have enabled the identification and quantification of EmIC, in very low concentrations (ppb, ppt and lower, which likely have been present in all environmental mediums for decades. Passive technology is an innovative technique for the time-integrated measurement of emerging contaminants in water, sediment, soil and air. Passive samplers are simple handling cost-effective tool that could be used in environmental monitoring programmes. These devices are now being considered as a part of an emerging strategy for monitoring a range of emerging industrial chemicals and priority pollutants in the aquatic environment. EmIC are substances that are not included in the routine monitoring programmes and whose fate, behaviour and (ecotoxicological effects are still not well understood. Emerging

Energy and exergy analyses of a copper-chlorine thermochemical water decomposition pilot plant for hydrogen production

International Nuclear Information System (INIS)

Orhan, M.F.; Dincer, I.; Rosen, M.A.

2008-01-01

Nuclear-based hydrogen production via thermochemical water decomposition using a copper-chlorine (Cu-Cl) cycle consists of a series of chemical reactions in which water is split into hydrogen and oxygen as the net result. This is accomplished through reactions involving intermediate copper and chlorine compounds, which are recycled. Energy and exergy analyses are reported here of a Cu-Cl pilot plant, including the relevant chemical reactions. The reference environment is taken to be at a temperature of 298.15 K and atmospheric pressure (1 atm). The chemical exergy of a substance, which is the maximum work that can be obtained from it by taking it to chemical equilibrium with the reference environment at constant temperature and pressure, is calculated with property data for the substance and the reference environment, with enthalpy and entropy values calculated using Shomate equations. The reaction heat, exergy destruction and efficiencies in each chemical reaction vary with the reaction temperature and reference-environment temperature. A parametric study with variable reaction and reference-environment temperatures is also presented. (author)

An integrative omics perspective for the analysis of chemical signals in ecological interactions.

Science.gov (United States)

Brunetti, A E; Carnevale Neto, F; Vera, M C; Taboada, C; Pavarini, D P; Bauermeister, A; Lopes, N P

2018-03-05

All living organisms emit, detect, and respond to chemical stimuli, thus creating an almost limitless number of interactions by means of chemical signals. Technological and intellectual advances in the last two decades have enabled chemical signals analyses at several molecular levels, including gene expression, molecular diversity, and receptor affinity. These advances have also deepened our understanding of nature to encompass interactions at multiple organism levels across different taxa. This tutorial review describes the most recent analytical developments in 'omics' technologies (i.e., genomics, transcriptomics, proteomics, and metabolomics) and provide recent examples of its application in studies of chemical signals. We highlight how studies have integrated an enormous amount of information generated from different omics disciplines into one publicly available platform. In addition, we stress the importance of considering different signal modalities and an evolutionary perspective to establish a comprehensive understanding of chemical communication.

A study of the decontamination procedures used for chemical analysis of polar deep ice cores

Directory of Open Access Journals (Sweden)

Takayuki Miyake

2009-11-01

Full Text Available We investigated the decontamination procedures used on polar deep ice cores before chemical analyses such as measurements of the concentrations of iron species and dust (microparticles. We optimized cutting and melting protocols for decontamination using chemically ultraclean polyethylene bags and simulated ice samples made from ultrapure water. For dust and ion species including acetate, which represented a high level of contamination, we were able to decrease contamination to below several μg l^ for ion concentrations and below 10000 particles ml^ for the dust concentration. These concentration levels of ion species and dust are assumed to be present in the Dome Fuji ice core during interglacial periods. Decontamination of the ice core was achieved by cutting away approximately 3 mm of the outside of a sample and by melting away approximately 30% of a sample's weight. Furthermore, we also report the preparation protocols for chemical analyses of the 2nd Dome Fuji ice core, including measurements of ion and dust concentrations, pH, electric conductivity (EC, and stable isotope ratios of water (δD and δO, based on the results of the investigation of the decontamination procedures.

Chemical process hazards analysis

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-02-01

The Office of Worker Health and Safety (EH-5) under the Assistant Secretary for the Environment, Safety and Health of the US Department (DOE) has published two handbooks for use by DOE contractors managing facilities and processes covered by the Occupational Safety and Health Administration (OSHA) Rule for Process Safety Management of Highly Hazardous Chemicals (29 CFR 1910.119), herein referred to as the PSM Rule. The PSM Rule contains an integrated set of chemical process safety management elements designed to prevent chemical releases that can lead to catastrophic fires, explosions, or toxic exposures. The purpose of the two handbooks, ``Process Safety Management for Highly Hazardous Chemicals`` and ``Chemical Process Hazards Analysis,`` is to facilitate implementation of the provisions of the PSM Rule within the DOE. The purpose of this handbook ``Chemical Process Hazards Analysis,`` is to facilitate, within the DOE, the performance of chemical process hazards analyses (PrHAs) as required under the PSM Rule. It provides basic information for the performance of PrHAs, and should not be considered a complete resource on PrHA methods. Likewise, to determine if a facility is covered by the PSM rule, the reader should refer to the handbook, ``Process Safety Management for Highly Hazardous Chemicals`` (DOE- HDBK-1101-96). Promulgation of the PSM Rule has heightened the awareness of chemical safety management issues within the DOE. This handbook is intended for use by DOE facilities and processes covered by the PSM rule to facilitate contractor implementation of the PrHA element of the PSM Rule. However, contractors whose facilities and processes not covered by the PSM Rule may also use this handbook as a basis for conducting process hazards analyses as part of their good management practices. This handbook explains the minimum requirements for PrHAs outlined in the PSM Rule. Nowhere have requirements been added beyond what is specifically required by the rule.

Runaway chemical reaction exposes community to highly toxic chemicals

International Nuclear Information System (INIS)

Kaszniak, Mark; Vorderbrueggen, John

2008-01-01

The U.S. Chemical Safety and Hazard Investigation Board (CSB) conducted a comprehensive investigation of a runaway chemical reaction at MFG Chemical (MFG) in Dalton, Georgia on April 12, 2004 that resulted in the uncontrolled release of a large quantity of highly toxic and flammable allyl alcohol and allyl chloride into the community. Five people were hospitalized and 154 people required decontamination and treatment for exposure to the chemicals. This included police officers attempting to evacuate the community and ambulance personnel who responded to 911 calls from residents exposed to the chemicals. This paper presents the findings of the CSB report (U.S. Chemical Safety and Hazard Investigation Board (CSB), Investigation Report: Toxic Chemical Vapor Cloud Release, Report No. 2004-09-I-GA, Washington DC, April 2006) including a discussion on tolling practices; scale-up of batch reaction processes; Process Safety Management (PSM) and Risk Management Plan (RMP) implementation; emergency planning by the company, county and the city; and emergency response and mitigation actions taken during the incident. The reactive chemical testing and atmospheric dispersion modeling conducted by CSB after the incident and recommendations adopted by the Board are also discussed

Cosmetics Europe compilation of historical serious eye damage/eye irritation in vivo data analysed by drivers of classification to support the selection of chemicals for development and evaluation of alternative methods/strategies: the Draize eye test Reference Database (DRD).

Science.gov (United States)

Barroso, João; Pfannenbecker, Uwe; Adriaens, Els; Alépée, Nathalie; Cluzel, Magalie; De Smedt, Ann; Hibatallah, Jalila; Klaric, Martina; Mewes, Karsten R; Millet, Marion; Templier, Marie; McNamee, Pauline

2017-02-01

A thorough understanding of which of the effects assessed in the in vivo Draize eye test are responsible for driving UN GHS/EU CLP classification is critical for an adequate selection of chemicals to be used in the development and/or evaluation of alternative methods/strategies and for properly assessing their predictive capacity and limitations. For this reason, Cosmetics Europe has compiled a database of Draize data (Draize eye test Reference Database, DRD) from external lists that were created to support past validation activities. This database contains 681 independent in vivo studies on 634 individual chemicals representing a wide range of chemical classes. A description of all the ocular effects observed in vivo, i.e. degree of severity and persistence of corneal opacity (CO), iritis, and/or conjunctiva effects, was added for each individual study in the database, and the studies were categorised according to their UN GHS/EU CLP classification and the main effect driving the classification. An evaluation of the various in vivo drivers of classification compiled in the database was performed to establish which of these are most important from a regulatory point of view. These analyses established that the most important drivers for Cat 1 Classification are (1) CO mean ≥ 3 (days 1-3) (severity) and (2) CO persistence on day 21 in the absence of severity, and those for Cat 2 classification are (3) CO mean ≥ 1 and (4) conjunctival redness mean ≥ 2. Moreover, it is shown that all classifiable effects (including persistence and CO = 4) should be present in ≥60 % of the animals to drive a classification. As a consequence, our analyses suggest the need for a critical revision of the UN GHS/EU CLP decision criteria for the Cat 1 classification of chemicals. Finally, a number of key criteria are identified that should be taken into consideration when selecting reference chemicals for the development, evaluation and/or validation of alternative methods and

Refractometry and interferometry in chemical analysis; Refractometrie et interferometrie en analyse chimique

Energy Technology Data Exchange (ETDEWEB)

Veret, C [Faculte des Sciences de Paris, 75 (France)

2000-03-01

In vacuum, an electromagnetic radiation is propagated at a constant velocity. But, when it has to pass through a physical medium, it is submitted to different interactions (for instance: absorption, diffusion, refraction, polarization, dispersion, fluorescence) which lead to a modification of its propagation. In the frequency ranges of the radiation for which the absorption is not very important, the modifications of the propagation velocity of a radiation can bring data on the nature and/or the physical conditions (pressure, temperature) of a medium, whatever its state be: gas, liquid or solid. Thus, the absolute refractive index of a medium in relation to vacuum is defined as the ratio c/v of the propagation velocity c of a monochromatic electromagnetic radiation in vacuum at its velocity v in this medium. The photonic refractometry (field of ultraviolet, visible and infrared radiations) is the set of the measure techniques of the refractive indexes having a role in chemical analysis. The refractometry measures can only be applied to media which are optically transparent. After having described these techniques, the author presents their uses in chemical analysis. (O.M.)

Cooling tower wood sampling and analyses: A case study

International Nuclear Information System (INIS)

Haymore, J.L.

1985-01-01

Extensive wood sampling and analyses programs were initiated on crossflow and counterflow cooling towers that have been in service since 1951 and 1955, respectively. Wood samples were taken from all areas of the towers and were subjected to biological, chemical and physical tests. The tests and results for the analyses are discussed. The results indicate the degree of wood deterioration, and areas of the towers which experience the most advanced degree of degradation

Linguistic measures of chemical diversity and the "keywords" of molecular collections.

Science.gov (United States)

Woźniak, Michał; Wołos, Agnieszka; Modrzyk, Urszula; Górski, Rafał L; Winkowski, Jan; Bajczyk, Michał; Szymkuć, Sara; Grzybowski, Bartosz A; Eder, Maciej

2018-05-15

Computerized linguistic analyses have proven of immense value in comparing and searching through large text collections ("corpora"), including those deposited on the Internet - indeed, it would nowadays be hard to imagine browsing the Web without, for instance, search algorithms extracting most appropriate keywords from documents. This paper describes how such corpus-linguistic concepts can be extended to chemistry based on characteristic "chemical words" that span more than traditional functional groups and, instead, look at common structural fragments molecules share. Using these words, it is possible to quantify the diversity of chemical collections/databases in new ways and to define molecular "keywords" by which such collections are best characterized and annotated.

Statistical Data Analyses of Trace Chemical, Biochemical, and Physical Analytical Signatures

Energy Technology Data Exchange (ETDEWEB)

Udey, Ruth Norma [Michigan State Univ., East Lansing, MI (United States)

2013-01-01

Analytical and bioanalytical chemistry measurement results are most meaningful when interpreted using rigorous statistical treatments of the data. The same data set may provide many dimensions of information depending on the questions asked through the applied statistical methods. Three principal projects illustrated the wealth of information gained through the application of statistical data analyses to diverse problems.

Comprehensive genomic analyses of the OM43 clade including a novel species from Red Sea indicate ecotype differentiation among marine methylotrophs

KAUST Repository

Jimenez Infante, Francy M.; Ngugi, David; Vinu, Manikandan; Alam, Intikhab; Kamau, Allan; Blom, Jochen; Bajic, Vladimir B.; Stingl, Ulrich

2015-01-01

The OM43 clade within the family Methylophilaceae of Betaproteobacteria represents a group of methylotrophs playing important roles in the metabolism of C1 compounds in marine environments and other aquatic environments around the globe. Using dilution-to-extinction cultivation techniques, we successfully isolated a novel species of this clade (designated here as MBRS-H7) from the ultra-oligotrophic open ocean waters of the central Red Sea. Phylogenomic analyses indicate that MBRS-H7 is a novel species, which forms a distinct cluster together with isolate KB13 from Hawaii (H-RS cluster) that is separate from that represented by strain HTCC2181 (from the Oregon coast). Phylogenetic analyses using the robust 16S–23S internal transcribed spacer revealed a potential ecotype separation of the marine OM43 clade members, which was further confirmed by metagenomic fragment recruitment analyses that showed trends of higher abundance in low chlorophyll and/or high temperature provinces for the H-RS cluster, but a preference for colder, highly productive waters for the HTCC2181 cluster. This potential environmentally driven niche differentiation is also reflected in the metabolic gene inventories, which in the case of H-RS include those conferring resistance to high levels of UV irradiation, temperature, and salinity. Interestingly, we also found different energy conservation modules between these OM43 subclades, namely the existence of the NADH:quinone oxidoreductase NUO system in the H-RS and the non-homologous NQR system in HTCC2181, which might have implications on their overall energetic yields.

Comprehensive genomic analyses of the OM43 clade including a novel species from Red Sea indicate ecotype differentiation among marine methylotrophs

KAUST Repository

Jimenez Infante, Francy M.

2015-12-11

The OM43 clade within the family Methylophilaceae of Betaproteobacteria represents a group of methylotrophs playing important roles in the metabolism of C1 compounds in marine environments and other aquatic environments around the globe. Using dilution-to-extinction cultivation techniques, we successfully isolated a novel species of this clade (designated here as MBRS-H7) from the ultra-oligotrophic open ocean waters of the central Red Sea. Phylogenomic analyses indicate that MBRS-H7 is a novel species, which forms a distinct cluster together with isolate KB13 from Hawaii (H-RS cluster) that is separate from that represented by strain HTCC2181 (from the Oregon coast). Phylogenetic analyses using the robust 16S–23S internal transcribed spacer revealed a potential ecotype separation of the marine OM43 clade members, which was further confirmed by metagenomic fragment recruitment analyses that showed trends of higher abundance in low chlorophyll and/or high temperature provinces for the H-RS cluster, but a preference for colder, highly productive waters for the HTCC2181 cluster. This potential environmentally driven niche differentiation is also reflected in the metabolic gene inventories, which in the case of H-RS include those conferring resistance to high levels of UV irradiation, temperature, and salinity. Interestingly, we also found different energy conservation modules between these OM43 subclades, namely the existence of the NADH:quinone oxidoreductase NUO system in the H-RS and the non-homologous NQR system in HTCC2181, which might have implications on their overall energetic yields.

Forensic analyses of explosion debris from the January 2, 1992 Pd/D2O electrochemistry incident at SRI International

International Nuclear Information System (INIS)

Andresen, B.; Whipple, R.; Vandervoort, D.; Grant, P.

1992-01-01

The January 2, 1992 explosion in an electrochemistry laboratory at SRI International (SRI) resulted in the death of scientist Andrew Riley, and gained some notoriety due to its association with experimental work in the controversial field of cold fusion research. Selected components of explosion debris were subjected to forensic analyses at LLNL to elucidate potential causes of, or contributing factors to, the explosion. Interrogation of the debris by LLNL encompassed nuclear, chemical, physical, and materials investigations. Nuclear studies for the determination of tritium and neutron-activation products in stainless steel and brass were negative. No evidence of signature species indicative of orthodox nuclear events was detected. The inorganic and particulate analyses were likewise negative with respect to residues of unexpected chemical species. Such target compounds included conventional explosives, accelerants, propellants, or any exceptional industrial chemicals. The GC-MS analyses of trace organic components in the explosion debris provided perhaps the most interesting results obtained at LLNL. Although no evidence of organic explosives, oxidizers, or other unusual compounds was detected, the presence of a hydrocarbon oil in the interior of the electrochemical cell was established. It is likely that its source was lubricating fluid from the machining of the metal cell components. If residues of organic oils are present during electrolysis experiments, the potential exists for an explosive reaction in the increasingly enriched oxygen atmosphere within the headspace of a metal cell

Grey literature in meta-analyses.

Science.gov (United States)

Conn, Vicki S; Valentine, Jeffrey C; Cooper, Harris M; Rantz, Marilyn J

2003-01-01

In meta-analysis, researchers combine the results of individual studies to arrive at cumulative conclusions. Meta-analysts sometimes include "grey literature" in their evidential base, which includes unpublished studies and studies published outside widely available journals. Because grey literature is a source of data that might not employ peer review, critics have questioned the validity of its data and the results of meta-analyses that include it. To examine evidence regarding whether grey literature should be included in meta-analyses and strategies to manage grey literature in quantitative synthesis. This article reviews evidence on whether the results of studies published in peer-reviewed journals are representative of results from broader samplings of research on a topic as a rationale for inclusion of grey literature. Strategies to enhance access to grey literature are addressed. The most consistent and robust difference between published and grey literature is that published research is more likely to contain results that are statistically significant. Effect size estimates of published research are about one-third larger than those of unpublished studies. Unfunded and small sample studies are less likely to be published. Yet, importantly, methodological rigor does not differ between published and grey literature. Meta-analyses that exclude grey literature likely (a) over-represent studies with statistically significant findings, (b) inflate effect size estimates, and (c) provide less precise effect size estimates than meta-analyses including grey literature. Meta-analyses should include grey literature to fully reflect the existing evidential base and should assess the impact of methodological variations through moderator analysis.

Chemical and mineralogical analyses of Roman amphorae from Augustan period recovered at the production center of Sant Antoni de Calonge (Gerona, Spain)

International Nuclear Information System (INIS)

Vila Socias, L.; Prats Pico, N.; Buxeda Garrigos, J.

2016-01-01

Amphorae were the most popular transport vessels used to ship wine and other commodities in Antiquity. This paper reports the results of the analyses of 38 samples of several Roman amphorae types recovered at Calonge (Gerona, Spain). Chemical composition of individuals have been obtained by means of XRF. Equivalent firing temperatures have been estimated by XRD and further refiring experiments have been performed. The results suggest the existence of two different clay pastes among individuals analyzed, most of which were fired at the range 900-1000 degree centigrade. Moreover, it is argued that craftsmen did not follow highly standardized paste preparation process during the first activity period of the workshop. The results are discussed in terms of production technology and standardization. (Author)

Multivariate Analysis of Multiple Datasets: a Practical Guide for Chemical Ecology.

Science.gov (United States)

Hervé, Maxime R; Nicolè, Florence; Lê Cao, Kim-Anh

2018-03-01

Chemical ecology has strong links with metabolomics, the large-scale study of all metabolites detectable in a biological sample. Consequently, chemical ecologists are often challenged by the statistical analyses of such large datasets. This holds especially true when the purpose is to integrate multiple datasets to obtain a holistic view and a better understanding of a biological system under study. The present article provides a comprehensive resource to analyze such complex datasets using multivariate methods. It starts from the necessary pre-treatment of data including data transformations and distance calculations, to the application of both gold standard and novel multivariate methods for the integration of different omics data. We illustrate the process of analysis along with detailed results interpretations for six issues representative of the different types of biological questions encountered by chemical ecologists. We provide the necessary knowledge and tools with reproducible R codes and chemical-ecological datasets to practice and teach multivariate methods.

Chemical ecotoxicology

International Nuclear Information System (INIS)

Paasivirta, J.

1991-01-01

This book discusses risk assessment, chemical cycles, structure-activity relations, organohalogens, oil residues, mercury, sampling and analysis of trace chemicals, and emissions from the forestry industry. Topics include: Cycles of chemicals in the environment. Rick assessment and management, strucuture and toxicity, sampling and analysis of trace chemicals in environment, interpretation of the environmental analysis results, mercury in the environment, organohalogen compounds in the environment, emissions from forestry industry, oil residues in the environment: oil spills in the marine environment

Economic aspects of risk assessment in chemical safety

Energy Technology Data Exchange (ETDEWEB)

Drummond, M F; Shannon, H S

1986-05-01

This paper considers how the economic aspects of risk assessment in chemical safety can be strengthened. Its main focus is on how economic appraisal techniques, such as cost-benefit and cost-effectiveness analysis, can be adapted to the requirements of the risk-assessment process. Following a discussion of the main methodological issues raised by the use of economic appraisal, illustrated by examples from the health and safety field, a number of practical issues are discussed. These include the consideration of the distribution of costs, effects and benefits, taking account of uncertainty, risk probabilities and public perception, making the appraisal techniques useful to the early stages of the risk-assessment process and structuring the appraisal to permit continuous feedback to the participants in the risk-assessment process. It is concluded that while the way of thinking embodied in economic appraisal is highly relevant to the consideration of choices in chemical safety, the application of these principles in formal analysis of risk reduction procedures presents a more mixed picture. The main suggestions for improvement in the analyses performed are the undertaking of sensitivity analyses of study results to changes in the key assumptions, the presentation of the distribution of costs and benefits by viewpoint, the comparison of health and safety measures in terms of their incremental cost per life-year (or quality-adjusted life-year) gained and the more frequent retrospective review and revision of the economic analyses that are undertaken.

Environmental/chemical thesaurus

International Nuclear Information System (INIS)

Shriner, C.R.; Dailey, N.S.; Jordan, A.C.; Miller, K.C.; Owens, E.T.; Rickert, L.W.

1978-06-01

The Environmental/Chemical Thesaurus approaches scientific language control problems from a multidisciplinary view. The Environmental/Biomedical Terminology Index (EBTI) was used as a base for the present thesaurus. The Environmental/Chemical Thesaurus, funded by the Environmental Protection Agency, used as its source of new terms those major terms found in 13 Environmental Protection Agency data bases. The scope of this thesaurus includes not only environmental and biomedical sciences, but also the physical sciences with emphasis placed on chemistry. Specific chemical compounds are not included; only classes of chemicals are given. To adhere to this level of classification, drugs and pesticides are identified by class rather than by specific chemical name. An attempt was also made to expand the areas of sociology and economics. Terminology dealing with law, demography, and geography was expanded. Proper names of languages and races were excluded. Geographic terms were expanded to include proper names for oceans, continents, major lakes, rivers, and islands. Political divisions were added to allow for proper names of countries and states. With such a broad scope, terminology for specific sciences does not provide for indexing to the lowest levels in plant, animal, or chemical classifications

Environmental/chemical thesaurus

Energy Technology Data Exchange (ETDEWEB)

Shriner, C.R.; Dailey, N.S.; Jordan, A.C.; Miller, K.C.; Owens, E.T.; Rickert, L.W.

1978-06-01

The Environmental/Chemical Thesaurus approaches scientific language control problems from a multidisciplinary view. The Environmental/Biomedical Terminology Index (EBTI) was used as a base for the present thesaurus. The Environmental/Chemical Thesaurus, funded by the Environmental Protection Agency, used as its source of new terms those major terms found in 13 Environmental Protection Agency data bases. The scope of this thesaurus includes not only environmental and biomedical sciences, but also the physical sciences with emphasis placed on chemistry. Specific chemical compounds are not included; only classes of chemicals are given. To adhere to this level of classification, drugs and pesticides are identified by class rather than by specific chemical name. An attempt was also made to expand the areas of sociology and economics. Terminology dealing with law, demography, and geography was expanded. Proper names of languages and races were excluded. Geographic terms were expanded to include proper names for oceans, continents, major lakes, rivers, and islands. Political divisions were added to allow for proper names of countries and states. With such a broad scope, terminology for specific sciences does not provide for indexing to the lowest levels in plant, animal, or chemical classifications.

Assessment of infant exposure to food chemicals: the French Total Diet Study design.

Science.gov (United States)

Hulin, M; Bemrah, N; Nougadère, A; Volatier, J L; Sirot, V; Leblanc, J C

2014-01-01

As part of the previous French Total Diet Studies (TDS) focusing on exposure to food chemicals in the population aged 3 years and older, the French Agency for Food, Environmental and Occupational Health & Safety (ANSES) launched a specific TDS on infants to complete its overall chemical food safety programme for the general population. More than 500 chemical substances were analysed in food products consumed by children under 3 years old, including nutrients, several endocrine disruptors resulting from human activities (polychlorinated biphenyls, dioxins and furans, brominated flame retardants, perfluoroalkyl acids, pesticide residues, etc.) or migrating from food contact materials such as bisphenol A or phthalates, but also natural substances such as mycotoxins, phytoestrogens and steroids. To obtain a representative and general view of infant food consumption, food items were selected based on results of a national consumption survey conducted specifically on this population. Moreover, a specific study on food was conducted on 429 households to determine which home-cooking practices are employed to prepare food consumed by infants. Overall, the targeted chemical substances were analysed in more than 450 food samples, representing the purchase and home-cooking practices of over 5500 food products. Foods included common foods such as vegetables, fruit or cakes as well as specific infant foods such as infant formula or jarred baby food. The sampling plan covered over 80% of the total diet. Specificities in infant food consumption and habits were therefore considered to define this first infant TDS. This study, conducted on a large scale and focusing on a particularly sensitive population, will provide accurate information on the dietary exposure of children under 3 years to food chemicals, especially endocrine disruptors, and will be particularly useful for risk assessment analysis under the remit of ANSES' expert committees.

Accessing and using chemical databases

DEFF Research Database (Denmark)

Nikolov, Nikolai Georgiev; Pavlov, Todor; Niemelä, Jay Russell

2013-01-01

Computer-based representation of chemicals makes it possible to organize data in chemical databases-collections of chemical structures and associated properties. Databases are widely used wherever efficient processing of chemical information is needed, including search, storage, retrieval......, and dissemination. Structure and functionality of chemical databases are considered. The typical kinds of information found in a chemical database are considered-identification, structural, and associated data. Functionality of chemical databases is presented, with examples of search and access types. More details...... are included about the OASIS database and platform and the Danish (Q)SAR Database online. Various types of chemical database resources are discussed, together with a list of examples....

Relating physico-chemical properties of frozen green peas (Pisum sativum L.) to sensory quality.

Science.gov (United States)

Nleya, Kathleen M; Minnaar, Amanda; de Kock, Henriëtte L

2014-03-30

The acceptability of frozen green peas depends on their sensory quality. There is a need to relate physico-chemical parameters to sensory quality. In this research, six brands of frozen green peas representing product sold for retail and caterer's markets were purchased and subjected to descriptive sensory evaluation and physico-chemical analyses (including dry matter content, alcohol insoluble solids content, starch content, °Brix, residual peroxidase activity, size sorting, hardness using texture analysis and colour measurements) to assess and explain product quality. The sensory quality of frozen green peas, particularly texture properties, were well explained using physico-chemical methods of analysis notably alcohol insoluble solids, starch content, hardness and °Brix. Generally, retail class peas were of superior sensory quality to caterer's class peas although one caterer's brand was comparable to the retail brands. Retail class peas were sweeter, smaller, greener, more moist and more tender than the caterer's peas. Retail class peas also had higher °Brix, a(*) , hue and chroma values; lower starch, alcohol insoluble solids, dry matter content and hardness measured. The sensory quality of frozen green peas can be partially predicted by measuring physico-chemical parameters particularly °Brix and to a lesser extent hardness by texture analyser, alcohol insoluble solids, dry matter and starch content. © 2013 Society of Chemical Industry.

Chemical sensor

Science.gov (United States)

Rauh, R. David (Inventor)

1990-01-01

A sensor for detecting a chemical substance includes an insertion element having a structure which enables insertion of the chemical substance with a resulting change in the bulk electrical characteristics of the insertion element under conditions sufficient to permit effective insertion; the change in the bulk electrical characteristics of the insertion element is detected as an indication of the presence of the chemical substance.

Apparatus for chemical synthesis

Science.gov (United States)

Kong, Peter C [Idaho Falls, ID; Herring, J Stephen [Idaho Falls, ID; Grandy, Jon D [Idaho Falls, ID

2011-05-10

A method and apparatus for forming a chemical hydride is described and which includes a pseudo-plasma-electrolysis reactor which is operable to receive a solution capable of forming a chemical hydride and which further includes a cathode and a movable anode, and wherein the anode is moved into and out of fluidic, ohmic electrical contact with the solution capable of forming a chemical hydride and which further, when energized produces an oxygen plasma which facilitates the formation of a chemical hydride in the solution.

Indexing molecules with chemical graph identifiers.

Science.gov (United States)

Gregori-Puigjané, Elisabet; Garriga-Sust, Rut; Mestres, Jordi

2011-09-01

Fast and robust algorithms for indexing molecules have been historically considered strategic tools for the management and storage of large chemical libraries. This work introduces a modified and further extended version of the molecular equivalence number naming adaptation of the Morgan algorithm (J Chem Inf Comput Sci 2001, 41, 181-185) for the generation of a chemical graph identifier (CGI). This new version corrects for the collisions recognized in the original adaptation and includes the ability to deal with graph canonicalization, ensembles (salts), and isomerism (tautomerism, regioisomerism, optical isomerism, and geometrical isomerism) in a flexible manner. Validation of the current CGI implementation was performed on the open NCI database and the drug-like subset of the ZINC database containing 260,071 and 5,348,089 structures, respectively. The results were compared with those obtained with some of the most widely used indexing codes, such as the CACTVS hash code and the new InChIKey. The analyses emphasize the fact that compound management activities, like duplicate analysis of chemical libraries, are sensitive to the exact definition of compound uniqueness and thus still depend, to a minor extent, on the type and flexibility of the molecular index being used. Copyright © 2011 Wiley Periodicals, Inc.

Treatment of spices with ionizing radiation - chemical, organoleptical, microbiological and toxicological analyses. Pt. 2. Behandlung von Gewuerzen mit ionisierenden Strahlen - chemische, sensorische, mikrobiologische und toxikologische Aspekte. T. 2

Energy Technology Data Exchange (ETDEWEB)

Schuettler, C; Boegl, W

1984-09-01

In the present second part of a study of the relevant literature the results of tests on 14 radiation treated spices and 2 radiation treated spice-mixtures were evaluated. The tests in this part contain mainly toxicological but also chemical and sensorial analyses. Most of the spices were treated with gamma radiation from cobalt-60 sources with doses between 80 Gy and 60 kGy. This part contains a cumulated subject index for part 1 and part 2.

Chemical composition and antioxidant activity of essential oil ...

African Journals Online (AJOL)

In the present work, we studied the chemical composition of the essential oil of Cistus ladanifer and Cistus libanotis growing in Eastern Morocco. The essential oils were obtained by hydrodistillation and their chemical composition was analysed using gas chromatography- mass spectrometry (GC–MS). Camphene, borneol ...

Flavoring Chemicals in E-Cigarettes: Diacetyl, 2,3-Pentanedione, and Acetoin in a Sample of 51 Products, Including Fruit-, Candy-, and Cocktail-Flavored E-Cigarettes.

Science.gov (United States)

Allen, Joseph G; Flanigan, Skye S; LeBlanc, Mallory; Vallarino, Jose; MacNaughton, Piers; Stewart, James H; Christiani, David C

2016-06-01

There are > 7,000 e-cigarette flavors currently marketed. Flavoring chemicals gained notoriety in the early 2000s when inhalation exposure of the flavoring chemical diacetyl was found to be associated with a disease that became known as "popcorn lung." There has been limited research on flavoring chemicals in e-cigarettes. We aimed to determine if the flavoring chemical diacetyl and two other high-priority flavoring chemicals, 2,3-pentanedione and acetoin, are present in a convenience sample of flavored e-cigarettes. We selected 51 types of flavored e-cigarettes sold by leading e-cigarette brands and flavors we deemed were appealing to youth. E-cigarette contents were fully discharged and the air stream was captured and analyzed for total mass of diacetyl, 2,3-pentanedione, and acetoin, according to OSHA method 1012. At least one flavoring chemical was detected in 47 of 51 unique flavors tested. Diacetyl was detected above the laboratory limit of detection in 39 of the 51 flavors tested, ranging from below the limit of quantification to 239 μg/e-cigarette. 2,3-Pentanedione and acetoin were detected in 23 and 46 of the 51 flavors tested at concentrations up to 64 and 529 μg/e-cigarette, respectively. Because of the associations between diacetyl and bronchiolitis obliterans and other severe respiratory diseases observed in workers, urgent action is recommended to further evaluate this potentially widespread exposure via flavored e-cigarettes. Allen JG, Flanigan SS, LeBlanc M, Vallarino J, MacNaughton P, Stewart JH, Christiani DC. 2016. Flavoring chemicals in e-cigarettes: diacetyl, 2,3-pentanedione, and acetoin in a sample of 51 products, including fruit-, candy-, and cocktail-flavored e-cigarettes. Environ Health Perspect 124:733-739; http://dx.doi.org/10.1289/ehp.1510185.

Analyses on the U-Mo/Al Chemical Interaction and the Effects of Diffusion Barrier Coatings

Energy Technology Data Exchange (ETDEWEB)

Ryu, Ho Jin; Kim, Woo Jeong; Cho, Woo Hyung; Jeong, Yong Jin; Lee, Yoon Sang; Park, Jong Man; Kim, Chang Kyu [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

2012-05-15

While many HEU-fueled research reactors have been converted by adopting LEU U{sub 3}Si{sub 2} fuel in harmony with the Reduced Enrichment for Research and Test Reactors (RERTR) program, some high performance research reactors still need the development of advanced fuels with higher uranium densities. Currently, gamma-phase U-Mo alloys are considered promising candidates to be used as high uranium density fuel for the high performance reactors. For the production of UMo alloy powder, the centrifugal atomization technology developed by KAERI has been considered the most promising way because of high yield production and excellent powder quality when compared with other possible methods such as grinding, machining or hydriding-dehydriding. However, severe pore formation associated with an extensive interaction between the U-Mo and Al matrix, although the irradiation performance of U-Mo itself showed most stable, delay the fuel qualification of UMo fuel for high performance research reactors. Because the reaction products, i.e. uranium aluminides (UAlx), is less dense than the mixed reactants, the volume of the fuel meat increases after formation of interaction layer(IL). In addition to the impact on the swelling performance, the reaction layers between the U-Mo and Al matrix induces a degradation of the thermal conductivities of the U-Mo/Al dispersion fuels. The chemical interaction between the U-Mo and Al matrix are analyzed in this study to find remedies to reduce the growth of the interaction layers during irradiation. In addition, various coating technologies for the formation of diffusion barriers on U-Mo particles are proposed as a result of the analyses

Drug and chemical residues in domestic animals.

Science.gov (United States)

Mussman, H C

1975-02-01

Given the large number of chemical substances that may find their way into the food supply, a system is needed to monitor their presence. The U. S. Department of Agriculture's Meat and Poultry Inspection Program routinely tests for chemical residues in animals coming to slaughter. Pesticides, heavy metals, growth promotants (hormones and hormonelike agents), and antibiotics are included. Samples are taken statistically so that inferences as to national incidence of residues can be drawn. When a problem is identified, a more selective sampling is designed to help follow up on the initial regulatory action. In testing for pesticides, only DDT and dieldrin are found with any frequency and their levels are decreasing; violative residues of any chlorinated hydrocarbon are generally a result of an industrial accident rather than agricultural usage. Analyses for heavy metals have revealed detectable levels of mercury, lead, and others, but none at levels that are considered a health hazard. Of the hormone or hormonelike substances, only diethylstilbestrol has been a residue problem and its future is uncertain. The most extensive monitoring for veterinary drugs is on the antimicrobials, including sulfonamides, streptomycin, and the tetracycline group of antibiotics that constitute the bulk of the violations; their simultaneous use prophylactically and therapeutically has contributed to the problem in certain cases. A strong, well-designed user education program on proper application of pesticides, chemicals, and veterinary drugs appears to be one method of reducing the incidence of unwanted residues.

Devices for collecting chemical compounds

Science.gov (United States)

Scott, Jill R; Groenewold, Gary S

2013-12-24

A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from a fixed surface so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

Chemical and laboratory analyses oceanographic data collected aboard the Wes Bordelon in the Gulf of Mexico from 2010-08-18 to 2010-08-22 in response to the Deepwater Horizon Oil Spill event (NODC Accession 0074863)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Chemical and laboratory analyses oceanographic data were collected aboard the Wes Bordelon in the Gulf of Mexico from 2010-08-18 to 2010-08-22 in response to the...

Coupled Metagenomic and Chemical Analyses of Degrading Fungal Necromass and Implications for Microbial Contributions to Stable Soil OC

Science.gov (United States)

Schreiner, K. M.; Morgan, B. S. T.; Schultz, J.; Blair, N. E.; Egerton-Warburton, L. M.

2014-12-01

Fungi comprise a significant portion of total soil biomass, the turnover of which must represent a dominant flux within the soil carbon cycle. Fungal OC can turn over on time scales of days to months, but this process is poorly understood. Here, we examined temporal changes in the chemical and microbial community composition of fungal necromass during a 2 month decomposition experiment in which Fusarium avenaceum (a common saprophyte) was exposed to a natural soil microbial community. Over the course of the experiment, residual fungal necromass was harvested and analyzed using FTIR and thermochemolysis-GCMS to examine chemical changes in the tissue. Additionally, genomic DNA was extracted from tissues, amplified with barcoded ITS primers, and sequenced using the high-throughput Illumina platform to examine changes in microbial community composition. Up to 80% of the fungal necromass turned over in the first week. This rapid degradation phase corresponded to colonization of the necromass by known chitinolytic soil fungi including Mortierella species. Zygomycetes and Ascomycetes were among the dominant fungal species involved in degradation with very small contributions from Basidiomycetes. At the end of the 2 month degradation, only 15% of the original necromass remained. The residual material was rich in amide and C-O moieties which is consistent with previous work predicting that peptidoglycans are the main residual product from microbial tissue degradation. Straight-chain fatty acids exhibit varying degradation profiles, with some fatty acids (e.g. C16 and C18:1) degrading more rapidly than bulk tissue, others maintaining steady concentrations relative to bulk OC (e.g. C18), and some increasing in concentration throughout the degradation (e.g. C24). These results indicate that the turnover of fungal necromass has the potential to significantly influence a variety of soil OC properties, including C/N ratios, lipid biomarker distributions, and OC turnover times.

Characterization of natural anaerobic dechlorination of TCE and 1,1,1-TCA in clay till including isotope fractionation and molecular biological tools

DEFF Research Database (Denmark)

Damgaard, Ida; Bælum, J.; Hunkeler, D.

2010-01-01

One of the major challenges when using enhanced reductive dechlorination (ERD) as a remediation technology at clay till sites is to obtain good contact between added agents such as donor, bacteria and the contamination. It is unclear whether degradation only takes place in fractures and/or sand l...... including the location of degradation in the fracture matrix geology. An extensive field collection of cores and discrete soil sampling has been conducted and samples have been analysed using state of the art microbial and chemical tools including isotope fractionation....

Genome-wide analyses implicate 33 loci in heritable dog osteosarcoma, including regulatory variants near CDKN2A/B

Science.gov (United States)

2013-01-01

Background Canine osteosarcoma is clinically nearly identical to the human disease, but is common and highly heritable, making genetic dissection feasible. Results Through genome-wide association analyses in three breeds (greyhounds, Rottweilers, and Irish wolfhounds), we identify 33 inherited risk loci explaining 55% to 85% of phenotype variance in each breed. The greyhound locus exhibiting the strongest association, located 150 kilobases upstream of the genes CDKN2A/B, is also the most rearranged locus in canine osteosarcoma tumors. The top germline candidate variant is found at a >90% frequency in Rottweilers and Irish wolfhounds, and alters an evolutionarily constrained element that we show has strong enhancer activity in human osteosarcoma cells. In all three breeds, osteosarcoma-associated loci and regions of reduced heterozygosity are enriched for genes in pathways connected to bone differentiation and growth. Several pathways, including one of genes regulated by miR124, are also enriched for somatic copy-number changes in tumors. Conclusions Mapping a complex cancer in multiple dog breeds reveals a polygenic spectrum of germline risk factors pointing to specific pathways as drivers of disease. PMID:24330828

Qualitative/Chemical Analyses of Ankaferd Hemostat and Its Antioxidant Content in Synthetic Gastric Fluids

Directory of Open Access Journals (Sweden)

Ahmet Koluman

2016-01-01

Full Text Available Introduction. Ankaferd hemostat (ABS is the first topical haemostatic agent involving the red blood cell-fibrinogen interactions. The antihemorrhagic efficacy of ABS has been tested in controlled clinical trials. The drug induces the formation of an encapsulated complex protein web with vital erythroid aggregation. The aim of this study is to detect the essential toxicity profile and the antioxidant molecules inside ABS. Methods. The pesticides were analyzed by GC-MS and LC-MS. The determination by ICP-MS after pressure digestion was performed for the heavy metals. HPLC was used for the detection of mycotoxins. Dioxin Response Chemically Activated Luciferase Gene Expression method was used for the dioxin evaluation. TOF-MS and spectra data were evaluated to detect the antioxidants and other molecules. Results. TOF-MS spectra revealed the presence of several antioxidant molecules (including tocotrienols, vitamin E, tryptophan, estriol, galangin, apigenin, oenin, 3,4-divanillyltetrahydrofuran, TBHQ, thymol, BHA, BHT, lycopene, glycyrrhetinic acid, and tomatine, which may have clinical implications in the pharmacobiological actions of ABS. Conclusion. The safety of ABS regarding the presence of heavy metals, pesticides, mycotoxins, GMO and dioxins, and PCBs was demonstrated. Thus the present toxicological results indicated the safety of ABS. The antioxidant content of ABS should be investigated in future studies.

Polarographic validation of chemical speciation models

International Nuclear Information System (INIS)

Duffield, J.R.; Jarratt, J.A.

2001-01-01

It is well established that the chemical speciation of an element in a given matrix, or system of matrices, is of fundamental importance in controlling the transport behaviour of the element. Therefore, to accurately understand and predict the transport of elements and compounds in the environment it is a requirement that both the identities and concentrations of trace element physico-chemical forms can be ascertained. These twin requirements present the analytical scientist with considerable challenges given the labile equilibria, the range of time scales (from nanoseconds to years) and the range of concentrations (ultra-trace to macro) that may be involved. As a result of this analytical variability, chemical equilibrium modelling has become recognised as an important predictive tool in chemical speciation analysis. However, this technique requires firm underpinning by the use of complementary experimental techniques for the validation of the predictions made. The work reported here has been undertaken with the primary aim of investigating possible methodologies that can be used for the validation of chemical speciation models. However, in approaching this aim, direct chemical speciation analyses have been made in their own right. Results will be reported and analysed for the iron(II)/iron(III)-citrate proton system (pH 2 to 10; total [Fe] = 3 mmol dm -3 ; total [citrate 3- ] 10 mmol dm -3 ) in which equilibrium constants have been determined using glass electrode potentiometry, speciation is predicted using the PHREEQE computer code, and validation of predictions is achieved by determination of iron complexation and redox state with associated concentrations. (authors)

Chase the direct impact of rainfall into groundwater in Mt. Fuji from multiple analyses including microbial DNA

Science.gov (United States)

Kato, Kenji; Sugiyama, Ayumi; Nagaosa, Kazuyo; Tsujimura, Maki

2016-04-01

A huge amount of groundwater is stored in subsurface environment of Mt. Fuji, the largest volcanic mountain in Japan. Based on the concept of piston flow transport of groundwater an apparent residence time was estimated to ca. 30 years by 36Cl/Cl ratio (Tosaki et al., 2011). However, this number represents an averaged value of the residence time of groundwater which had been mixed before it flushes out. We chased signatures of direct impact of rainfall into groundwater to elucidate the routes of groundwater, employing three different tracers; stable isotopic analysis (delta 18O), chemical analysis (concentration of silica) and microbial DNA analysis. Though chemical analysis of groundwater shows an averaged value of the examined water which was blended by various water with different sources and routes in subsurface environment, microbial DNA analysis may suggest the place where they originated, which may give information of the source and transport routes of the water examined. Throughout the in situ observation of four rainfall events showed that stable oxygen isotopic ratio of spring water and shallow groundwater obtained from 726m a.s.l. where the average recharge height of rainfall was between 1500 and 1800 m became higher than the values before a torrential rainfall, and the concentration of silica decreased after this event when rainfall exceeded 300 mm in precipitation of an event. In addition, the density of Prokaryotes in spring water apparently increased. Those changes did not appear when rainfall did not exceed 100 mm per event. Thus, findings shown above indicated a direct impact of rainfall into shallow groundwater, which appeared within a few weeks of torrential rainfall in the studied geological setting. In addition, increase in the density of Archaea observed at deep groundwater after the torrential rainfall suggested an enlargement of the strength of piston flow transport through the penetration of rainfall into deep groundwater. This finding was

Ambient Monitoring for Sinclair and Dyes Inlets, Puget Sound, Washington: Chemical Analyses for 2012 Regional Mussel Watch

Energy Technology Data Exchange (ETDEWEB)

Brandenberger, Jill M.; Kuo, Li-Jung; Suslick, Carolynn R.; Johnston, Robert K.

2012-09-01

Under the Project ENVVEST Final Project Agreement, the Puget Sound Naval Shipyard & Intermediate Maintenance Facility (PSNS&IMF), Environmental Protection Agency (EPA), Washington State Department of Ecology (Ecology), and local stakeholders have worked collaboratively to improve the environmental quality of Sinclair and Dyes Inlets. A regional mussel monitoring program began in 2010 to assess the status and trend of ecological resources, assess the effectiveness of cleanup and pollution control measures, and determine if discharges from all sources are protective of beneficial uses including aquatic life. The program collected indigenous mussels to represent a time-integrated measure of bioavailable metals and organic chemicals present in the water column. This document supplements the 2010 indigenous mussel data with 2012 data to provide two years of data on the chemical residue of mussels present in the inter-tidal regions of Sinclair Inlet, Dyes Inlet, Port Orchard Passage, Rich Passage, Agate Passage, Liberty Bay, and Keyport Lagoon. The 2012 data set added one station at PSNS&IMF and one market samples from Penn Cove. Indigenous mussels were collected from a small boat and/or from along the shoreline, measured, composited, and analyzed for percent lipids, percent moisture, stable isotopes of carbon and nitrogen, and a suite of trace metals and organic contaminants. The trace metals included silver (Ag), arsenic (As), cadmium (Cd), copper (Cu), mercury (Hg), lead (Pb), and zinc (Zn). The organic contaminants included the list of NOAA Status and Trends 20 polychlorinated biphenyls (PCB) congeners and suite of parent and methylated polycyclic aromatic hydrocarbons (PAHs). The average lengths between the 2010 and 2012 data were generally less than 30% relative percent difference (RPD). Generally, the metals concentrations were lower in 2012 than 2010 with some notable exceptions in Sinclair Inlet and Rich Passage where increases in Ag, Hg, Pb, Cu, and Zn exceeded

Hanford Environmental Restoration data validation process for chemical and radiochemical analyses

International Nuclear Information System (INIS)

Adams, M.R.; Bechtold, R.A.; Clark, D.E.; Angelos, K.M.; Winter, S.M.

1993-10-01

Detailed procedures for validation of chemical and radiochemical data are used to assure consistent application of validation principles and support a uniform database of quality environmental data. During application of these procedures, it was determined that laboratory data packages were frequently missing certain types of documentation causing subsequent delays in meeting critical milestones in the completion of validation activities. A quality improvement team was assembled to address the problems caused by missing documentation and streamline the entire process. The result was the development of a separate data package verification procedure and revisions to the data validation procedures. This has resulted in a system whereby deficient data packages are immediately identified and corrected prior to validation and revised validation procedures which more closely match the common analytical reporting practices of laboratory service vendors

77 FR 74685 - Chemical Facility Anti-Terrorism Standards (CFATS) Chemical-Terrorism Vulnerability Information...

Science.gov (United States)

2012-12-17

... DEPARTMENT OF HOMELAND SECURITY [Docket No. DHS-2012-0057] Chemical Facility Anti-Terrorism Standards (CFATS) Chemical- Terrorism Vulnerability Information (CVI) AGENCY: National Protection and...: Comments that include trade secrets, confidential commercial or financial information, Chemical-terrorism...

Cell behaviour on chemically microstructured surfaces

International Nuclear Information System (INIS)

Magnani, Agnese; Priamo, Alfredo; Pasqui, Daniela; Barbucci, Rolando

2003-01-01

Micropatterned surfaces with different chemical topographies were synthesised in order to investigate the influence of surface chemistry and topography on cell behaviour. The microstructured materials were synthesised by photoimmobilising natural Hyaluronan (Hyal) and its sulphated derivative (HyalS), both adequately functionalised with a photorective moiety, on glass substrates. Four different grating patterns (10, 25, 50 and 100 μm) were used to pattern the hyaluronan. The micropatterned samples were analysed by Secondary Ions Mass Spectrometry, Scanning Electron Microscopy (SEM) and Atomic Force Microscopy to investigate the chemistry and the topography of the surfaces. The spectroscopic and microscopic analysis of the microstructured surfaces revealed that the photoimmobilisation process was successful, demonstrating that the photomask patterns were well reproduced on the sample surface. The influence of chemical topographies on the cell behaviour was then analysed. Human and 3T3 fibroblasts, bovine aortic and human (HGTFN line) endothelial cells were used and their behaviour on the micropatterned surfaces was analysed in terms of adhesion, proliferation, locomotion and orientation. Both chemical and topographical controls were found to be important for cell guidance. By decreasing the stripe dimensions, a more fusiform shape of cell was observed. At the same time, the cell locomotion and orientation parallel to the structure increased. However, differences in cell behaviour were detected according to both cell type and micropattern dimensions

Comprehensive Genomic Analyses of the OM43 Clade, Including a Novel Species from the Red Sea, Indicate Ecotype Differentiation among Marine Methylotrophs

Science.gov (United States)

Jimenez-Infante, Francy; Ngugi, David Kamanda; Vinu, Manikandan; Alam, Intikhab; Kamau, Allan Anthony; Blom, Jochen; Bajic, Vladimir B.

2015-01-01

The OM43 clade within the family Methylophilaceae of Betaproteobacteria represents a group of methylotrophs that play important roles in the metabolism of C1 compounds in marine environments and other aquatic environments around the globe. Using dilution-to-extinction cultivation techniques, we successfully isolated a novel species of this clade (here designated MBRS-H7) from the ultraoligotrophic open ocean waters of the central Red Sea. Phylogenomic analyses indicate that MBRS-H7 is a novel species that forms a distinct cluster together with isolate KB13 from Hawaii (Hawaii-Red Sea [H-RS] cluster) that is separate from the cluster represented by strain HTCC2181 (from the Oregon coast). Phylogenetic analyses using the robust 16S-23S internal transcribed spacer revealed a potential ecotype separation of the marine OM43 clade members, which was further confirmed by metagenomic fragment recruitment analyses that showed trends of higher abundance in low-chlorophyll and/or high-temperature provinces for the H-RS cluster but a preference for colder, highly productive waters for the HTCC2181 cluster. This potential environmentally driven niche differentiation is also reflected in the metabolic gene inventories, which in the case of the H-RS cluster include those conferring resistance to high levels of UV irradiation, temperature, and salinity. Interestingly, we also found different energy conservation modules between these OM43 subclades, namely, the existence of the NADH:quinone oxidoreductase complex I (NUO) system in the H-RS cluster and the nonhomologous NADH:quinone oxidoreductase (NQR) system in the HTCC2181 cluster, which might have implications for their overall energetic yields. PMID:26655752

Soil chemical sensor and precision agricultural chemical delivery system and method

Science.gov (United States)

Colburn, Jr., John W.

1991-01-01

A real time soil chemical sensor and precision agricultural chemical delivery system includes a plurality of ground-engaging tools in association with individual soil sensors which measure soil chemical levels. The system includes the addition of a solvent which rapidly saturates the soil/tool interface to form a conductive solution of chemicals leached from the soil. A multivalent electrode, positioned within a multivalent frame of the ground-engaging tool, applies a voltage or impresses a current between the electrode and the tool frame. A real-time soil chemical sensor and controller senses the electrochemical reaction resulting from the application of the voltage or current to the leachate, measures it by resistivity methods, and compares it against pre-set resistivity levels for substances leached by the solvent. Still greater precision is obtained by calibrating for the secondary current impressed through solvent-less soil. The appropriate concentration is then found and the servo-controlled delivery system applies the appropriate amount of fertilizer or agricultural chemicals substantially in the location from which the soil measurement was taken.

Emergency management of chemical weapons injuries.

Science.gov (United States)

Anderson, Peter D

2012-02-01

The potential for chemical weapons to be used in terrorism is a real possibility. Classes of chemical weapons include nerve agents, vesicants (blister agents), choking agents, incapacitating agents, riot control agents, blood agents, and toxic industrial chemicals. The nerve agents work by blocking the actions of acetylcholinesterase leading to a cholinergic syndrome. Nerve agents include sarin, tabun, VX, cyclosarin, and soman. The vesicants include sulfur mustard and lewisite. The vesicants produce blisters and also damage the upper airways. Choking agents include phosgene and chlorine gas. Choking agents cause pulmonary edema. Incapacitating agents include fentanyl and its derivatives and adamsite. Riot control agents include Mace and pepper spray. Blood agents include cyanide. The mechanism of toxicity for cyanide is blocking oxidative phosphorylation. Toxic industrial chemicals include agents such as formaldehyde, hydrofluoric acid, and ammonia.

Coordinating Chemical and Mineralogical Analyses of Antarctic Dry Valley Sediments as Potential Analogs for Mars

Science.gov (United States)

Patel, S. N.; Bishop, J. L.; Englert, P.; Gibson, E. K.

2015-01-01

The Antarctic Dry Valleys (ADV) provide a unique terrestrial analog for Martian surface processes as they are extremely cold and dry sedimentary environments. The surface geology and the chemical composition of the Dry Valleys that are similar to Mars suggest the possible presence of these soil-formation processes on Mars. The soils and sediments from Wright Valley, Antarctica were investigated in this study to examine mineralogical and chemical changes along the surface layer in this region and as a function of depth. Surface samples collected near Prospect Mesa and Don Juan Pond of the ADV were analyzed using visible/near-infrared (VNIR) and mid-IR reflectance spectroscopy and major and trace element abundances.

Prediction of chemical composition of South African Medicago sativa ...

African Journals Online (AJOL)

The near infrared reflectance spectroscopy (NIRS) to predict chemical and digestibility parameters was investigated. Samples (n = 168) representing the spectral characteristics of the South African. Medicago sativa L. hay population were chemically analysed for the development of calibration equations. Values for r² and ...

A method for assessing residual NAPL based on organic chemical concentrations in soil samples

International Nuclear Information System (INIS)

Feenstra, S.; Mackay, D.M.; Cherry, J.A.

1991-01-01

Ground water contamination by non-aqueous phase liquid (NAPL) chemicals is a serious concern at many industrial facilities and waste disposal sites. NAPL in the form of immobile residual contamination, or pools of mobile or potentially mobile NAPL, can represent continuing sources of ground water contamination. In order to develop rational and cost-effective plans for remediation of soil and ground water contamination at such sites, it is essential to determine if non-aqueous phase liquid (NAPL) chemicals are present in the subsurface and delineate the zones of NAPL contamination. Qualitatively, soil analyses that exhibit chemical concentrations in the percent range or >10,000 mg/kg would generally be considered to indicate the presence of NAPL. However, the results of soil analyses are seldom used in a quantitative manner to assess the possible presence of residual NAPL contamination when chemical concentrations are lower and the presence of NAPL is not obvious. The assessment of the presence of NAPL in soil samples is possible using the results of chemical and physical analyses of the soil, and the fundamental principles of chemical partitioning in unsaturated or saturated soil. The method requires information on the soil of the type typically considered in ground water contamination studies and provides a simple tool for the investigators of chemical spill and waste disposal sites to assess whether soil chemical analyses indicate the presence of residual NAPL in the subsurface

Chemical processes in the turbine and exhaust nozzle

Energy Technology Data Exchange (ETDEWEB)

Lukachko, S P; Waitz, I A [Massachusetts Inst. of Tech., Cambridge, MA (United States). Aero-Environmental Lab.; Miake-Lye, R C; Brown, R C; Anderson, M R [Aerodyne Research, Inc., Billerica, MA (United States); Dawes, W N [University Engineering Dept., Cambridge (United Kingdom). Whittle Lab.

1998-12-31

The objective is to establish an understanding of primary pollutant, trace species, and aerosol chemical evolution as engine exhaust travels through the nonuniform, unsteady flow fields of the turbine and exhaust nozzle. An understanding of such processes is necessary to provide accurate inputs for plume-wake modeling efforts and is therefore a critical element in an assessment of the atmospheric effects of both current and future aircraft. To perform these studies, a numerical tool was developed combining the calculation of chemical kinetics and one-, two-, or three-dimensional (1-D, 2-D, 3-D) Reynolds-averaged flow equations. Using a chemistry model that includes HO{sub x}, NO{sub y}, SO{sub x}, and CO{sub x} reactions, several 1-D parametric analyses were conducted for the entire turbine and exhaust nozzle flow path of a typical advanced subsonic engine to understand the effects of various flow and chemistry uncertainties on a baseline 1-D result. These calculations were also used to determine parametric criteria for judging 1-D, 2-D, and 3-D modeling requirements as well as to provide information about chemical speciation at the nozzle exit plane. (author) 9 refs.

Chemical processes in the turbine and exhaust nozzle

Energy Technology Data Exchange (ETDEWEB)

Lukachko, S.P.; Waitz, I.A. [Massachusetts Inst. of Tech., Cambridge, MA (United States). Aero-Environmental Lab.; Miake-Lye, R.C.; Brown, R.C.; Anderson, M.R. [Aerodyne Research, Inc., Billerica, MA (United States); Dawes, W.N. [University Engineering Dept., Cambridge (United Kingdom). Whittle Lab.

1997-12-31

The objective is to establish an understanding of primary pollutant, trace species, and aerosol chemical evolution as engine exhaust travels through the nonuniform, unsteady flow fields of the turbine and exhaust nozzle. An understanding of such processes is necessary to provide accurate inputs for plume-wake modeling efforts and is therefore a critical element in an assessment of the atmospheric effects of both current and future aircraft. To perform these studies, a numerical tool was developed combining the calculation of chemical kinetics and one-, two-, or three-dimensional (1-D, 2-D, 3-D) Reynolds-averaged flow equations. Using a chemistry model that includes HO{sub x}, NO{sub y}, SO{sub x}, and CO{sub x} reactions, several 1-D parametric analyses were conducted for the entire turbine and exhaust nozzle flow path of a typical advanced subsonic engine to understand the effects of various flow and chemistry uncertainties on a baseline 1-D result. These calculations were also used to determine parametric criteria for judging 1-D, 2-D, and 3-D modeling requirements as well as to provide information about chemical speciation at the nozzle exit plane. (author) 9 refs.

CHEMICAL STORAGE: MYTHS VERSUS REALITY

International Nuclear Information System (INIS)

Simmons, F.

2007-01-01

A large number of resources explaining proper chemical storage are available. These resources include books, databases/tables, and articles that explain various aspects of chemical storage including compatible chemical storage, signage, and regulatory requirements. Another source is the chemical manufacturer or distributor who provides storage information in the form of icons or color coding schemes on container labels. Despite the availability of these resources, chemical accidents stemming from improper storage, according to recent reports (1) (2), make up almost 25% of all chemical accidents. This relatively high percentage of chemical storage accidents suggests that these publications and color coding schemes although helpful, still provide incomplete information that may not completely mitigate storage risks. This manuscript will explore some ways published storage information may be incomplete, examine the associated risks, and suggest methods to help further eliminate chemical storage risks

DOE handbook: Guide to good practices for training and qualification of chemical operators

International Nuclear Information System (INIS)

1996-03-01

The purpose of this Handbook is to provide contractor training organizations with information that can be used as a reference to refine existing chemical operator training programs, or develop new training programs where no program exists. This guide, used in conjunction with facility-specific job analyses, will provide a framework for training and qualification programs for chemical operators at DOE reactor and nonreactor facilities. Recommendations for qualification are made in four areas: education, experience, physical attributes, and training. Contents include: initial qualification; administrative training; industrial safety training; specialized skills training; on-the-job training; trainee evaluation; continuing training; training effectiveness evaluation; and program records. Two appendices describe Fundamentals training and Process operations. This handbook covers chemical operators in transportation of fuels and wastes, spent fuel receiving and storage, fuel disassembly, fuel reprocessing, and both liquid and solid low-level waste processing

Radiation equivalence of genotoxic chemicals - Validation in cultered mammalian cell lines

International Nuclear Information System (INIS)

Murthy, M.S.S.

1982-01-01

Published data on mutations induced by ionizing radiation and 6 monofunctional alkylating agents, namely EMS, MMS, ENNG, MNNG, ENU and MNU, in different cell lines (Chinese hamster ovary, Chinese hamster lung V79, mouse lymphoma L5178 and human cells) were analysed so that radiation-equivalent chemical (REC) values could be calculated. REC values thus obtained for a given alkylating agent with different cell lines fall within a narrow range suggesting its validation in cultured mammalian cell systems including human. (orig.)

Chemical plant innovative safety investments decision-support methodology.

Science.gov (United States)

Reniers, G L L; Audenaert, A

2009-01-01

This article examines the extent to which investing in safety during the creation of a new chemical installation proves profitable. The authors propose a management supporting cost-benefit model that identifies and evaluates investments in safety within a chemical company. This innovative model differentiates between serious accidents and less serious accidents, thus providing an authentic image of prevention-related costs and benefits. In classic cost-benefit analyses, which do not make such differentiations, only a rudimentary image of potential profitability resulting from investments in safety is obtained. The resulting management conclusions that can be drawn from such classical analyses are of a very limited nature. The proposed model, however, is applied to a real case study and the proposed investments in safety at an appointed chemical installation are weighed against the estimated hypothetical benefits resulting from the preventive measures to be installed at the installation. In the case-study carried out in question, it would appear that the proposed prevention investments are justified. Such an economic exercise may be very important to chemical corporations trying to (further) improve their safety investments.

A class of chemical pinning centers including two elements foreign to HTS

Energy Technology Data Exchange (ETDEWEB)

Weinstein, Roy; Sawh, Ravi-Persad

2003-01-01

Very small deposits are formed when two foreign elements, A and B, are added to textured (RE)BCO. These deposits increase the J{sub c} of samples and hence the maximum trapped field. Deposit sizes are generally in the range 200-400 nm. Their chemical composition is (A{sub x},B{sub y})(RE)Ba{sub 2}O{sub 6}, where x+y=1 and x=y{+-}0.1. Their structure is double perovskite. The deposits produce two types of pinning, one by refinement (e.g., of the Y211 phase) and the other due to the double perovskite deposits themselves. In those cases tested, the refinement increases J{sub c} by factors exceeding 1.33, and the deposits increase J{sub c} by factors exceeding 2, for a total increase by a factor exceeding 2.66. Element A can be U, W or Mo. Element B can be Pt or Zr. We speculate on possible additional elements in classes A and B.

Crystal-Chemical Analysis Martian Minerals in Gale Crater

Science.gov (United States)

Morrison, S. M.; Downs, R. T.; Blake, D. F.; Bish, D. L.; Ming, D. W.; Morris, R. V.; Yen, A. S.; Chipera, S. J.; Treiman, A. H.; Vaniman, D. T.;

Manual of selected physico-chemical analytical methods. IV

International Nuclear Information System (INIS)

Beran, M.; Klosova, E.; Krtil, J.; Sus, F.; Kuvik, V.; Vrbova, L.; Hamplova, M.; Lengyel, J.; Kelnar, L.; Zakouril, K.

1990-11-01

The Central Testing Laboratory of the Nuclear Research Institute at Rez has for a decade been participating in the development of analytical procedures and has been providing analyses of samples of different types and origin. The analytical procedures developed have been published in special journals and a number of them in the Manuals of analytical methods, in three parts. The 4th part of the Manual contains selected physico-chemical methods developed or modified by the Laboratory in the years 1986-1990 within the project ''Development of physico-chemical analytical methods''. In most cases, techniques are involved for non-nuclear applications. Some can find wider applications, especially in analyses of environmental samples. Others have been developed for specific cases of sample analyses or require special instrumentation (mass spectrometer), which partly restricts their applicability by other institutions. (author)

Analyses of fine paste ceramics

International Nuclear Information System (INIS)

Sabloff, J.A.

1980-01-01

Four chapters are included: history of Brookhaven fine paste ceramics project, chemical and mathematical procedures employed in Mayan fine paste ceramics project, and compositional and archaeological perspectives on the Mayan fine paste ceramics

Chemical, laboratory analyses, physical and profile oceanographic data collected aboard the BUNNY BORDELON in the Gulf of Mexico from 2010-08-18 to 2010-08-23 in response to the Deepwater Horizon Oil Spill event (NODC Accession 0069118)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Chemical, laboratory analyses, physical and profile oceanographic data were collected aboard the BUNNY BORDELON in the Gulf of Mexico from 2010-08-18 to 2010-08-23...

Multivariate analyses of crater parameters and the classification of craters

Science.gov (United States)

Siegal, B. S.; Griffiths, J. C.

1974-01-01

Multivariate analyses were performed on certain linear dimensions of six genetic types of craters. A total of 320 craters, consisting of laboratory fluidization craters, craters formed by chemical and nuclear explosives, terrestrial maars and other volcanic craters, and terrestrial meteorite impact craters, authenticated and probable, were analyzed in the first data set in terms of their mean rim crest diameter, mean interior relief, rim height, and mean exterior rim width. The second data set contained an additional 91 terrestrial craters of which 19 were of experimental percussive impact and 28 of volcanic collapse origin, and which was analyzed in terms of mean rim crest diameter, mean interior relief, and rim height. Principal component analyses were performed on the six genetic types of craters. Ninety per cent of the variation in the variables can be accounted for by two components. Ninety-nine per cent of the variation in the craters formed by chemical and nuclear explosives is explained by the first component alone.

Electrolyte solutions including a phosphoranimine compound, and energy storage devices including same

Science.gov (United States)

Klaehn, John R.; Dufek, Eric J.; Rollins, Harry W.; Harrup, Mason K.; Gering, Kevin L.

2017-09-12

An electrolyte solution comprising at least one phosphoranimine compound and a metal salt. The at least one phosphoranimine compound comprises a compound of the chemical structure ##STR00001## where X is an organosilyl group or a tert-butyl group and each of R.sup.1, R.sup.2, and R.sup.3 is independently selected from the group consisting of an alkyl group, an aryl group, an alkoxy group, or an aryloxy group. An energy storage device including the electrolyte solution is also disclosed.

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

Analyses of fine paste ceramics

Energy Technology Data Exchange (ETDEWEB)

Sabloff, J A [ed.

1980-01-01

Four chapters are included: history of Brookhaven fine paste ceramics project, chemical and mathematical procedures employed in Mayan fine paste ceramics project, and compositional and archaeological perspectives on the Mayan fine paste ceramics. (DLC)

Physico-chemical properties and sensory evaluation of jam made ...

African Journals Online (AJOL)

This study was carried out to investigate the possibility of producing jam from black-plum and to evaluate the physico-chemical properties, nutritional properties and consumer acceptability of the product. Black-plum jam was produced using traditional openkettle method. The physico-chemical analyses of black-plum fruit ...

Effect of Natural Fermentation on the Chemical and Nutritional ...

African Journals Online (AJOL)

Changes in the chemical and nutritional composition of naturally fermented soy nono were studied at ambient temperature (27 ± 2oC) for 72 h. The differently fermented soy nono samples were collected at 6 h intervals and analysed for chemical, proximate and mineral composition using standard laboratory procedures.

Chemical, laboratory analyses, physical and profile oceanographic data collected aboard the JACK FITZ in the Gulf of Mexico from 2010-08-18 to 2010-08-23 in response to the Deepwater Horizon Oil Spill event (NODC Accession 0069119)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Chemical, laboratory analyses, physical and profile oceanographic data were collected aboard the JACK FITZ in the Gulf of Mexico from 2010-08-18 to 2010-08-23 in...

Chemical, laboratory analyses, physical and profile oceanographic data collected aboard the JACK FITZ in the Gulf of Mexico from 2010-06-12 to 2010-06-20 in response to the Deepwater Horizon Oil Spill event (NODC Accession 0069074)

Data.gov (United States)

National Oceanic and Atmospheric Administration, Department of Commerce — Chemical, laboratory analyses, physical and profile oceanographic data were collected aboard the JACK FITZ in the Gulf of Mexico from 2010-06-12 to 2010-06-20 in...

Design of chemical plant

International Nuclear Information System (INIS)

Lee, Dong Il; Kim, Seung Jae; Yang, Jae Ho; Ryu, Hwa Won

1993-01-01

This book describes design of chemical plant, which includes chemical engineer and plan for chemical plant, development of chemical process, cost engineering pattern, design and process development, general plant construction plan, project engineering, foundation for economy on assets and depreciation, estimation for cost on capital investment and manufacturing cost, design with computers optimal design and method like fluid mechanics design chemical device and estimation for cost, such as dispatch of material and device writing on design report and appendixes.

Similarity analyses of chromatographic herbal fingerprints: A review

International Nuclear Information System (INIS)

Goodarzi, Mohammad; Russell, Paul J.; Vander Heyden, Yvan

2013-01-01

Graphical abstract: -- Highlights: •Similarity analyses of herbal fingerprints are reviewed. •Different (dis)similarity approaches are discussed. •(Dis)similarity-metrics and exploratory-analysis approaches are illustrated. •Correlation and distance-based measures are overviewed. •Similarity analyses illustrated by several case studies. -- Abstract: Herbal medicines are becoming again more popular in the developed countries because being “natural” and people thus often assume that they are inherently safe. Herbs have also been used worldwide for many centuries in the traditional medicines. The concern of their safety and efficacy has grown since increasing western interest. Herbal materials and their extracts are very complex, often including hundreds of compounds. A thorough understanding of their chemical composition is essential for conducting a safety risk assessment. However, herbal material can show considerable variability. The chemical constituents and their amounts in a herb can be different, due to growing conditions, such as climate and soil, the drying process, the harvest season, etc. Among the analytical methods, chromatographic fingerprinting has been recommended as a potential and reliable methodology for the identification and quality control of herbal medicines. Identification is needed to avoid fraud and adulteration. Currently, analyzing chromatographic herbal fingerprint data sets has become one of the most applied tools in quality assessment of herbal materials. Mostly, the entire chromatographic profiles are used to identify or to evaluate the quality of the herbs investigated. Occasionally only a limited number of compounds are considered. One approach to the safety risk assessment is to determine whether the herbal material is substantially equivalent to that which is either readily consumed in the diet, has a history of application or has earlier been commercialized i.e. to what is considered as reference material. In order

Similarity analyses of chromatographic herbal fingerprints: A review

Energy Technology Data Exchange (ETDEWEB)

Goodarzi, Mohammad [Department of Analytical Chemistry and Pharmaceutical Technology, Center for Pharmaceutical Research, Vrije Universiteit Brussel, Laarbeeklaan 103, B-1090 Brussels (Belgium); Russell, Paul J. [Safety and Environmental Assurance Centre, Unilever, Colworth Science Park, Sharnbrook, Bedfordshire MK44 1LQ (United Kingdom); Vander Heyden, Yvan, E-mail: yvanvdh@vub.ac.be [Department of Analytical Chemistry and Pharmaceutical Technology, Center for Pharmaceutical Research, Vrije Universiteit Brussel, Laarbeeklaan 103, B-1090 Brussels (Belgium)

2013-12-04

Graphical abstract: -- Highlights: •Similarity analyses of herbal fingerprints are reviewed. •Different (dis)similarity approaches are discussed. •(Dis)similarity-metrics and exploratory-analysis approaches are illustrated. •Correlation and distance-based measures are overviewed. •Similarity analyses illustrated by several case studies. -- Abstract: Herbal medicines are becoming again more popular in the developed countries because being “natural” and people thus often assume that they are inherently safe. Herbs have also been used worldwide for many centuries in the traditional medicines. The concern of their safety and efficacy has grown since increasing western interest. Herbal materials and their extracts are very complex, often including hundreds of compounds. A thorough understanding of their chemical composition is essential for conducting a safety risk assessment. However, herbal material can show considerable variability. The chemical constituents and their amounts in a herb can be different, due to growing conditions, such as climate and soil, the drying process, the harvest season, etc. Among the analytical methods, chromatographic fingerprinting has been recommended as a potential and reliable methodology for the identification and quality control of herbal medicines. Identification is needed to avoid fraud and adulteration. Currently, analyzing chromatographic herbal fingerprint data sets has become one of the most applied tools in quality assessment of herbal materials. Mostly, the entire chromatographic profiles are used to identify or to evaluate the quality of the herbs investigated. Occasionally only a limited number of compounds are considered. One approach to the safety risk assessment is to determine whether the herbal material is substantially equivalent to that which is either readily consumed in the diet, has a history of application or has earlier been commercialized i.e. to what is considered as reference material. In order

THE USE OF CHEMICALS AS PLANT REGULATORS. AGRICULTURAL CHEMICALS TECHNOLOGY, NUMBER 8.

Science.gov (United States)

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

ONE OF A SERIES DESIGNED TO ASSIST TEACHERS IN PREPARING POST-SECONDARY STUDENTS FOR AGRICULTURAL CHEMICAL OCCUPATIONS, THIS MODULE IS SPECIFICALLY CONCERNED WITH CHEMICALS AS PLANT REGULATORS. IT WAS DEVELOPED BY A NATIONAL TASK FORCE ON THE BASIS OF DATA FROM STATE STUDIES. SECTIONS INCLUDE -- (1) CHEMICALS AS MODIFIERS OF PLANT GROWTH, (2)…

In silico tools to aid risk assessment of endocrine disrupting chemicals

International Nuclear Information System (INIS)

Jacobs, M.N.

2004-01-01

In silico or computational tools could be used more effectively in endocrine disruptor risk assessment for prescreening potential endocrine disruptors, improving experimental in vitro screening assay design and facilitating more thorough data analyses. The in silico tools reviewed here are three-fold and include the use of: (1) nuclear receptor (NR) crystal structures and homology models to examine potential modes of ligand binding by different representative compounds; (2) multivariate principal component analyses (PCA) techniques to select best predicted cell lines for endocrine disrupting chemicals (EDC) risk assessment purposes; (3) NR quantitative structure-activity relationships (QSARs) that can be constructed from varied biological data sources, using multivariate partial least squares (PLS) techniques and specific descriptors. The cytosolic and NR examples discussed here include the Ah receptor (AhR), the human oestrogen receptor α (hERα) and the human pregnane X receptor (PXR). The varied biological data sets can be compared to give a more integrated dimension to receptor cross talk mechanisms, with further support from molecular modelling studies

Soil analyses by ICP-MS (Review)

International Nuclear Information System (INIS)

Yamasaki, Shin-ichi

2000-01-01

Soil analyses by inductively coupled plasma mass spectrometry (ICP-MS) are reviewed. The first half of the paper is devoted to the development of techniques applicable to soil analyses, where diverse analytical parameters are carefully evaluated. However, the choice of soil samples is somewhat arbitrary, and only a limited number of samples (mostly reference materials) are examined. In the second half, efforts are mostly concentrated on the introduction of reports, where a large number of samples and/or very precious samples have been analyzed. Although the analytical techniques used in these reports are not necessarily novel, valuable information concerning such topics as background levels of elements in soils, chemical forms of elements in soils and behavior of elements in soil ecosystems and the environment can be obtained. The major topics discussed are total elemental analysis, analysis of radionuclides with long half-lives, speciation, leaching techniques, and isotope ratio measurements. (author)

Vanadium NMR Chemical Shifts of (Imido)vanadium(V) Dichloride Complexes with Imidazolin-2-iminato and Imidazolidin-2-iminato Ligands: Cooperation with Quantum-Chemical Calculations and Multiple Linear Regression Analyses.

Science.gov (United States)

Yi, Jun; Yang, Wenhong; Sun, Wen-Hua; Nomura, Kotohiro; Hada, Masahiko

2017-11-30

The NMR chemical shifts of vanadium ( 51 V) in (imido)vanadium(V) dichloride complexes with imidazolin-2-iminato and imidazolidin-2-iminato ligands were calculated by the density functional theory (DFT) method with GIAO. The calculated 51 V NMR chemical shifts were analyzed by the multiple linear regression (MLR) analysis (MLRA) method with a series of calculated molecular properties. Some of calculated NMR chemical shifts were incorrect using the optimized molecular geometries of the X-ray structures. After the global minimum geometries of all of the molecules were determined, the trend of the observed chemical shifts was well reproduced by the present DFT method. The MLRA method was performed to investigate the correlation between the 51 V NMR chemical shift and the natural charge, band energy gap, and Wiberg bond index of the V═N bond. The 51 V NMR chemical shifts obtained with the present MLR model were well reproduced with a correlation coefficient of 0.97.

Trends of chemical monitoring in power stations

International Nuclear Information System (INIS)

Winkler, R.; Venz, H.

1983-01-01

Frequently, the state-of-the-art of chemical monitoring in power plants is still determined by conservative methods. A thorough rationalization requires not only modern analytical procedures, but also the consideration of chemically affected processes in complex process analyses and the combination of automatic analyzers with available process computers. Using some examples, ways of reducing monitoring efforts without impairing safety and economy of nuclear power plant operation are pointed out. (author)

Chemical analysis of isolated cell walls of Gram-positive bacteria and the determination of the cell wall to cell mass ratio.

NARCIS (Netherlands)

Wal, van der A.; Norde, W.; Bendinger, B.; Zehnder, A.J.B.; Lyklema, J.

1997-01-01

Cell walls of five Gram-positive bacterial strains, including four coryneforms and a Bacillus brevis strain were isolated and subsequently chemically analysed. The wall contribution to the total cell mass is calculated from a comparison of D-Lactate concentrations in hydrolysates of whole cells and

Poisoning following exposure to chemicals stored in mislabelled or unlabelled containers: a recipe for potential disaster.

Science.gov (United States)

Millard, Yvette C; Slaughter, Robin J; Shieffelbien, Lucy M; Schep, Leo J

2014-09-26

To investigate poisoning exposures to chemicals that were unlabelled, mislabelled or not in their original containers in New Zealand over the last 10 years, based on calls to the New Zealand National Poisons Centre (NZNPC). Call data from the NZNPC between 2003 and 2012 were analysed retrospectively. Parameters reviewed included patient age, route and site of exposure, product classification and recommended intervention. Of the 324,411 calls received between 2003 and 2012, 100,465 calls were associated with acute human exposure to chemicals. There were 757 inquiries related to human exposure to mislabelled or unlabelled chemicals consisting of 0.75% of chemical exposures. Adults were involved in 51% of incidents, children, containers is a problem for all age groups. Although it represents a small proportion of total calls to the NZNPC it remains a potential risk for serious poisoning. It is important that chemicals are stored securely, in their original containers, and never stored in drinking vessels.

Coupled Metagenomic and Chemical Analyses of Degrading Fungal Necromass and Implications for Fungal contributions to Stable Soil Organic Carbon

Science.gov (United States)

Egerton-Warburton, L. M.; Schreiner, K. M.; Morgan, B. S. T.; Schultz, J.; Blair, N. E.

2016-12-01

Fungi comprise a significant portion of total soil biomass, the turnover of which must represent a dominant flux within the soil carbon cycle. Fungal organic carbon (OC) can turn over on time scales of days to months, but this process is poorly understood. Here, we examined temporal changes in the chemical and microbial community composition of fungal necromass during a 2-month decomposition experiment in which Fusarium avenaceum (a common saprophyte) was exposed to a natural soil microbial community. Over the course of the experiment, residual fungal necromass was harvested and analyzed using FTIR and thermochemolysis-GCMS to examine chemical changes in the tissue. In addition, genomic DNA was extracted from tissues, amplified with barcoded ITS primers, and sequenced using the high-throughput Illumina platform to examine changes in microbial community composition. Up to 80% of the fungal necromass turned over in the first week. This rapid degradation phase corresponded to colonization of the necromass by known chitinolytic soil fungi including Mortierella species. Members of the Zygomycota and Ascomycota were among the dominant fungal groups involved in degradation with very small contributions from Basidiomycota. At the end of the 2-month degradation, only 15% of the original necromass remained. The residual material was rich in amide and C-O moieties which is consistent with previous work predicting that peptidoglycans are the main residual product from microbial tissue degradation. Straight-chain fatty acids exhibited varying degradation profiles, with some fatty acids (e.g. C16, C18:1) degrading more rapidly than bulk tissue while others maintained steady concentrations relative to bulk OC (C18) or increased in concentration throughout the degradation sequence (C24). These results indicate that the turnover of fungal necromass has the potential to rapidly and significantly influence a variety of soil OC properties including C/N ratios, lipid biomarker

Chemical and mineralogical characterization of iron concretions of some Brazilian soils

International Nuclear Information System (INIS)

Soares, M.F.

1980-01-01

Chemical and physical analyses of concretionary materials were carried out, with the purpose of getting chemical and mineralogical characteristics of concretions found in some Brazilian soils in different ecosystems spectrophotometry was used for the chemical characterization, and x-ray diffraction and Moessbauer spectroscopy for the mineralogical characterization of the materials studied. (A.R.H.) [pt

Tobacco and chemicals (image)

Science.gov (United States)

Some of the chemicals associated with tobacco smoke include ammonia, carbon dioxide, carbon monoxide, propane, methane, acetone, hydrogen cyanide and various carcinogens. Other chemicals that are associated with chewing ...

APPLYING SPECTROSCOPIC METHODS ON ANALYSES OF HAZARDOUS WASTE

OpenAIRE

Dobrinić, Julijan; Kunić, Marija; Ciganj, Zlatko

2000-01-01

Abstract The paper presents results of measuring the content of heavy and other metals in waste samples from the hazardous waste disposal site of Sovjak near Rijeka. The preliminary design elaboration and the choice of the waste disposal sanification technology were preceded by the sampling and physico-chemical analyses of disposed waste, enabling its categorization. The following spectroscopic methods were applied on metal content analysis: Atomic absorption spectroscopy (AAS) and plas...

Dittrichia graveolens (L.) Greuter Essential Oil: Chemical Composition, Multivariate Analysis, and Antimicrobial Activity.

Science.gov (United States)

Mitic, Violeta; Stankov Jovanovic, Vesna; Ilic, Marija; Jovanovic, Olga; Djordjevic, Aleksandra; Stojanovic, Gordana

2016-01-01

The chemical composition and in vitro antimicrobial activities of Dittrichia graveolens (L.) Greuter essential oil was studied. Moreover, using agglomerative hierarchical cluster (AHC) and principal component analyses (PCA), the interrelationships of the D. graveolens essential-oil profiles characterized so far (including the sample from this study) were investigated. To evaluate the chemical composition of the essential oil, GC-FID and GC/MS analyses were performed. Altogether, 54 compounds were identified, accounting for 92.9% of the total oil composition. The D. graveolens oil belongs to the monoterpenoid chemotype, with monoterpenoids comprising 87.4% of the totally identified compounds. The major components were borneol (43.6%) and bornyl acetate (38.3%). Multivariate analysis showed that the compounds borneol and bornyl acetate exerted the greatest influence on the spatial differences in the composition of the reported oils. The antimicrobial activity against five bacterial and one fungal strain was determined using a disk-diffusion assay. The studied essential oil was active only against Gram-positive bacteria. Copyright © 2016 Verlag Helvetica Chimica Acta AG, Zürich.

COST ES0602: towards a European network on chemical weather forecasting and information systems

Directory of Open Access Journals (Sweden)

J. Kukkonen

2009-04-01

Full Text Available The COST ES0602 action provides a forum for benchmarking approaches and practices in data exchange and multi-model capabilities for chemical weather forecasting and near real-time information services in Europe. The action includes approximately 30 participants from 19 countries, and its duration is from 2007 to 2011 (http://www.chemicalweather.eu/. Major efforts have been dedicated in other actions and projects to the development of infrastructures for data flow. We have therefore aimed for collaboration with ongoing actions towards developing near real-time exchange of input data for air quality forecasting. We have collected information on the operational air quality forecasting models on a regional and continental scale in a structured form, and inter-compared and evaluated the physical and chemical structure of these models. We have also constructed a European chemical weather forecasting portal that includes links to most of the available chemical weather forecasting systems in Europe. The collaboration also includes the examination of the case studies that have been organized within COST-728, in order to inter-compare and evaluate the models against experimental data. We have also constructed an operational model forecasting ensemble. Data from a representative set of regional background stations have been selected, and the operational forecasts for this set of sites will be inter-compared and evaluated. The Action has investigated, analysed and reviewed existing chemical weather information systems and services, and will provide recommendations on best practices concerning the presentation and dissemination of chemical weather information towards the public and decision makers.

The evolution of a LIMS (laboratory information management system). [Chemical analyses at BNFL

Energy Technology Data Exchange (ETDEWEB)

Anon.

1992-04-01

Changes in the world and United Kingdom markets for nuclear fuels during the 1990s have prompted British Nuclear Fuels (BNFL) to maximise cost effectiveness in its Chemical and Metallurgical Services department. A laboratory information management system (LIMS) was introduced in order to keep records of analytical techniques and equipment up to date by coordinating various computer systems. Wherever possible automated systems have replaced traditional, labour intensive techniques. So successful has the LIMS system been, that the team now hopes to expand into expert systems. (UK).

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.

Chemical structure of the Chromophoric Dissolved Organic Matter (CDOM) fluorescent matter.

Science.gov (United States)

Blough, N. V.; Del Vecchio, R.; Cartisano, C. M.; Bianca, M.

2017-12-01

The structure(s), distribution and dynamics of CDOM have been investigated over the last several decades largely through optical spectroscopy (including both absorption and fluorescence) due to the fairly inexpensive instrumentation and the easy-to-gather data (over thousands published papers from 1990-2016). Yet, the chemical structure(s) of the light absorbing and emitting species or constituents within CDOM has only recently being proposed and tested through chemical manipulation of selected functional groups (such as carbonyl and carboxylic/phenolic containing molecules) naturally occurring within the organic matter pool. Similarly, fitting models (among which the PArallel FACtor analysis, PARAFAC) have been developed to better understand the nature of a subset of DOM, the CDOM fluorescent matter (FDOM). Fluorescence spectroscopy coupled with chemical tests and PARAFAC analyses could potentially provide valuable insights on CDOM sources and chemical nature of the FDOM pool. However, despite that applications (and publications) of PARAFAC model to FDOM have grown exponentially since its first application/publication (2003), a large fraction of such publications has misinterpreted the chemical meaning of the delivered PARAFAC `components' leading to more confusion than clarification on the nature, distribution and dynamics of the FDOM pool. In this context, we employed chemical manipulation of selected functional groups to gain further insights on the chemical structure of the FDOM and we tested to what extent the PARAFAC `components' represent true fluorophores through a controlled chemical approach with the ultimate goal to provide insights on the chemical nature of such `components' (as well as on the chemical nature of the FDOM) along with the advantages and limitations of the PARAFAC application.

Transcriptome analyses provide insights into the difference of alkaloids biosynthesis in the Chinese goldthread (Coptis chinensis Franch. from different biotopes

Directory of Open Access Journals (Sweden)

Hanting Chen

2017-05-01

Full Text Available Coptis chinensis Franch., the Chinese goldthread (‘Weilian’ in Chinese, one of the most important medicinal plants from the family Ranunculaceae, and its rhizome has been widely used in Traditional Chinese Medicine for centuries. Here, we analyzed the chemical components and the transcriptome of the Chinese goldthread from three biotopes, including Zhenping, Zunyi and Shizhu. We built comprehensive, high-quality de novo transcriptome assemblies of the Chinese goldthread from short-read RNA-Sequencing data, obtaining 155,710 transcripts and 56,071 unigenes. More than 98.39% and 95.97% of core eukaryotic genes were found in the transcripts and unigenes respectively, indicating that this unigene set capture the majority of the coding genes. A total of 520,462, 493,718, and 507,247 heterozygous SNPs were identified in the three accessions from Zhenping, Zunyi, and Shizhu respectively, indicating high polymorphism in coding regions of the Chinese goldthread (∼1%. Chemical analyses of the rhizome identified six major components, including berberine, palmatine, coptisine, epiberberine, columbamine, and jatrorrhizine. Berberine has the highest concentrations, followed by coptisine, palmatine, and epiberberine sequentially for all the three accessions. The drug quality of the accession from Shizhu may be the highest among these accessions. Differential analyses of the transcriptome identified four pivotal candidate enzymes, including aspartate aminotransferaseprotein, polyphenol oxidase, primary-amine oxidase, and tyrosine decarboxylase, were significantly differentially expressed and may be responsible for the difference of alkaloids contents in the accessions from different biotopes.

Transcriptome analyses provide insights into the difference of alkaloids biosynthesis in the Chinese goldthread (Coptis chinensis Franch.) from different biotopes.

Science.gov (United States)

Chen, Hanting; Deng, Cao; Nie, Hu; Fan, Gang; He, Yang

2017-01-01

Coptis chinensis Franch., the Chinese goldthread ('Weilian' in Chinese), one of the most important medicinal plants from the family Ranunculaceae, and its rhizome has been widely used in Traditional Chinese Medicine for centuries. Here, we analyzed the chemical components and the transcriptome of the Chinese goldthread from three biotopes, including Zhenping, Zunyi and Shizhu. We built comprehensive, high-quality de novo transcriptome assemblies of the Chinese goldthread from short-read RNA-Sequencing data, obtaining 155,710 transcripts and 56,071 unigenes. More than 98.39% and 95.97% of core eukaryotic genes were found in the transcripts and unigenes respectively, indicating that this unigene set capture the majority of the coding genes. A total of 520,462, 493,718, and 507,247 heterozygous SNPs were identified in the three accessions from Zhenping, Zunyi, and Shizhu respectively, indicating high polymorphism in coding regions of the Chinese goldthread (∼1%). Chemical analyses of the rhizome identified six major components, including berberine, palmatine, coptisine, epiberberine, columbamine, and jatrorrhizine. Berberine has the highest concentrations, followed by coptisine, palmatine, and epiberberine sequentially for all the three accessions. The drug quality of the accession from Shizhu may be the highest among these accessions. Differential analyses of the transcriptome identified four pivotal candidate enzymes, including aspartate aminotransferaseprotein, polyphenol oxidase, primary-amine oxidase, and tyrosine decarboxylase, were significantly differentially expressed and may be responsible for the difference of alkaloids contents in the accessions from different biotopes.

Top Down Tandem Mass Spectrometric Analysis of a Chemically Modified Rough-Type Lipopolysaccharide Vaccine Candidate

Science.gov (United States)

Oyler, Benjamin L.; Khan, Mohd M.; Smith, Donald F.; Harberts, Erin M.; Kilgour, David P. A.; Ernst, Robert K.; Cross, Alan S.; Goodlett, David R.

2018-02-01

Recent advances in lipopolysaccharide (LPS) biology have led to its use in drug discovery pipelines, including vaccine and vaccine adjuvant discovery. Desirable characteristics for LPS vaccine candidates include both the ability to produce a specific antibody titer in patients and a minimal host inflammatory response directed by the innate immune system. However, in-depth chemical characterization of most LPS extracts has not been performed; hence, biological activities of these extracts are unpredictable. Additionally, the most widely adopted workflow for LPS structure elucidation includes nonspecific chemical decomposition steps before analyses, making structures inferred and not necessarily biologically relevant. In this work, several different mass spectrometry workflows that have not been previously explored were employed to show proof-of-principle for top down LPS primary structure elucidation, specifically for a rough-type mutant (J5) E. coli-derived LPS component of a vaccine candidate. First, ion mobility filtered precursor ions were subjected to collision induced dissociation (CID) to define differences in native J5 LPS v. chemically detoxified J5 LPS (dLPS). Next, ultra-high mass resolving power, accurate mass spectrometry was employed for unequivocal precursor and product ion empirical formulae generation. Finally, MS3 analyses in an ion trap instrument showed that previous knowledge about dissociation of LPS components can be used to reconstruct and sequence LPS in a top down fashion. A structural rationale is also explained for differential inflammatory dose-response curves, in vitro, when HEK-Blue hTLR4 cells were administered increasing concentrations of native J5 LPS v. dLPS, which will be useful in future drug discovery efforts. [Figure not available: see fulltext.

Database-Driven Analyses of Astronomical Spectra

Science.gov (United States)

Cami, Jan

2012-03-01

Spectroscopy is one of the most powerful tools to study the physical properties and chemical composition of very diverse astrophysical environments. In principle, each nuclide has a unique set of spectral features; thus, establishing the presence of a specific material at astronomical distances requires no more than finding a laboratory spectrum of the right material that perfectly matches the astronomical observations. Once the presence of a substance is established, a careful analysis of the observational characteristics (wavelengths or frequencies, intensities, and line profiles) allows one to determine many physical parameters of the environment in which the substance resides, such as temperature, density, velocity, and so on. Because of this great diagnostic potential, ground-based and space-borne astronomical observatories often include instruments to carry out spectroscopic analyses of various celestial objects and events. Of particular interest is molecular spectroscopy at infrared wavelengths. From the spectroscopic point of view, molecules differ from atoms in their ability to vibrate and rotate, and quantum physics inevitably causes those motions to be quantized. The energies required to excite vibrations or rotations are such that vibrational transitions generally occur at infrared wavelengths, whereas pure rotational transitions typically occur at sub-mm wavelengths. Molecular vibration and rotation are coupled though, and thus at infrared wavelengths, one commonly observes a multitude of ro-vibrational transitions (see Figure 13.1). At lower spectral resolution, all transitions blend into one broad ro-vibrational molecular band. The isotope. Molecular spectroscopy thus allows us to see a difference of one neutron in an atomic nucleus that is located at astronomical distances! Since the detection of the first interstellar molecules (the CH [21] and CN [14] radicals), more than 150 species have been detected in space, ranging in size from diatomic

Associations Between the Self-Reported Frequency of Hearing Chemical Alarms in Theater and Visuospatial Function in Gulf War Veterans.

Science.gov (United States)

Chao, Linda L

2016-10-01

The aim of this study was to examine the relationship between the self-reported frequencies of hearing chemical alarms during deployment and visuospatial function in Gulf War (GW) veterans. The relationship between the self-reported frequency of hearing chemical alarms, neurobehavioral, and volumetric brain imaging data was examined with correlational, regression, and mediation analyses. The self-reported frequency of hearing chemical alarms was inversely associated with and significantly predicted performance on a visuospatial task (ie, Block Design) over and above potentially confounding variables, including concurrent, correlated GW-related exposures. This effect was partially mediated by the relationship between hearing chemical alarms and lateral occipital cortex volume. Exposure to substances that triggered chemical alarms during GW deployment likely had adverse effects on veterans' brain structure and function, warranting further investigation of whether these GW veterans are at an increased risk for dementia.

Chemical kinetics of gas reactions

CERN Document Server

Kondrat'Ev, V N

2013-01-01

Chemical Kinetics of Gas Reactions explores the advances in gas kinetics and thermal, photochemical, electrical discharge, and radiation chemical reactions. This book is composed of 10 chapters, and begins with the presentation of general kinetic rules for simple and complex chemical reactions. The next chapters deal with the experimental methods for evaluating chemical reaction mechanisms and some theories of elementary chemical processes. These topics are followed by discussions on certain class of chemical reactions, including unimolecular, bimolecular, and termolecular reactions. The rema

Inositol phosphates from barley low-phytate grain mutants analysed by metal-dye detection HPLC and NMR

DEFF Research Database (Denmark)

Hatzack, F.; Hübel, F.; Zhang, W.

2001-01-01

Inositolphosphates from barley low-phytate grain mutants and their parent variety were analysed by metal-dye detection HPLC and NMR. Compound assignment was carried out by comparison of retention times using a chemical hydrolysate of phytate [Ins(1,2,3,4,5,6)P(6)] as a reference; Co-inciding rete......Inositolphosphates from barley low-phytate grain mutants and their parent variety were analysed by metal-dye detection HPLC and NMR. Compound assignment was carried out by comparison of retention times using a chemical hydrolysate of phytate [Ins(1,2,3,4,5,6)P(6)] as a reference; Co...

Chemical inventory control program for mixed and hazardous waste facilities at SRS

International Nuclear Information System (INIS)

Ades, M.J.; Vincent, A.M. III.

1997-01-01

Mixed Waste (MW) and Hazardous Waste (HW) are being stored at the Savannah River Site (SRS) pending onsite and/or offsite treatment and disposal. The inventory control for these wastes has recently been brought under Technical Safety Requirements (TSR) in accordance with DOE Order 5480.22. With the TSRs was the question of the degree of rigor with which the inventory is to be tracked, considering that the variety of chemicals present, or that could be present, numbers in the hundreds. This paper describes the graded approach program to track Solid Waste (SW) inventories relative to TSRs. The approach uses a ratio of the maximum anticipated chemical inventory to the permissible inventory in accordance with Emergency Response Planning Guideline (ERPG) limits for on- and off-site receptors. A specific threshold ratio can then be determined. The chemicals above this threshold ratio are to be included in the chemical inventory control program. The chemicals that fall below the threshold ratio are managed in accordance with existing practice per State and RCRA hazardous materials requirements. Additionally, the facilities are managed in accordance with process safety management principles, specifically using process hazards analyses, which provides safety assurance for even the small quantities that may be excluded from the formal inventory control program. The method yields a practical approach to chemical inventory control, while maintaining appropriate chemical safety margins. The resulting number of specific chemicals that require inclusion in a rigorous inventory control program is greatly reduced by about 80%, thereby resulting in significant reduction in chemical data management while preserving appropriate safety margins

Physico-Chemical Characterization and Pollution Index ...

African Journals Online (AJOL)

Physico-Chemical Characterization and Pollution Index Determination of Leachates from Warri Waste Dumpsite, Southern Nigeria. ... This study characterizes the leachates quality of an active dumpsite in Warri, Delta State and also analyses its contamination or pollution potential. Leachate Pollution Index (LPI) - a tool for ...

Applications of high lateral and energy resolution imaging XPS with a double hemispherical analyser based spectromicroscope

International Nuclear Information System (INIS)

Escher, M.; Winkler, K.; Renault, O.; Barrett, N.

2010-01-01

The design and applications of an instrument for imaging X-ray photoelectron spectroscopy (XPS) are reviewed. The instrument is based on a photoelectron microscope and a double hemispherical analyser whose symmetric configuration avoids the spherical aberration (α 2 -term) inherent for standard analysers. The analyser allows high transmission imaging without sacrificing the lateral and energy resolution of the instrument. The importance of high transmission, especially for highest resolution imaging XPS with monochromated laboratory X-ray sources, is outlined and the close interrelation of energy resolution, lateral resolution and analyser transmission is illustrated. Chemical imaging applications using a monochromatic laboratory Al Kα-source are shown, with a lateral resolution of 610 nm. Examples of measurements made using synchrotron and laboratory ultra-violet light show the broad field of applications from imaging of core level electrons with chemical shift identification, high resolution threshold photoelectron emission microscopy (PEEM), work function imaging and band structure imaging.

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

The Impact of Including Below Detection Limit Samples in Post Decommissioning Soil Sample Analyses

Energy Technology Data Exchange (ETDEWEB)

Kim, Jung Hwan; Yim, Man-Sung [KAIST, Daejeon (Korea, Republic of)

2016-10-15

To meet the required standards the site owner has to show that the soil at the facility has been sufficiently cleaned up. To do this one must know the contamination of the soil at the site prior to clean up. This involves sampling that soil to identify the degree of contamination. However there is a technical difficulty in determining how much decontamination should be done. The problem arises when measured samples are below the detection limit. Regulatory guidelines for site reuse after decommissioning are commonly challenged because the majority of the activity in the soil at or below the limit of detection. Using additional statistical analyses of contaminated soil after decommissioning is expected to have the following advantages: a better and more reliable probabilistic exposure assessment, better economics (lower project costs) and improved communication with the public. This research will develop an approach that defines an acceptable method for demonstrating compliance of decommissioned NPP sites and validates that compliance. Soil samples from NPP often contain censored data. Conventional methods for dealing with censored data sets are statistically biased and limited in their usefulness. In this research, additional methods are performed using real data from a monazite manufacturing factory.

Extracting and connecting chemical structures from text sources using chemicalize.org.

Science.gov (United States)

Southan, Christopher; Stracz, Andras

2013-04-23

Exploring bioactive chemistry requires navigating between structures and data from a variety of text-based sources. While PubChem currently includes approximately 16 million document-extracted structures (15 million from patents) the extent of public inter-document and document-to-database links is still well below any estimated total, especially for journal articles. A major expansion in access to text-entombed chemistry is enabled by chemicalize.org. This on-line resource can process IUPAC names, SMILES, InChI strings, CAS numbers and drug names from pasted text, PDFs or URLs to generate structures, calculate properties and launch searches. Here, we explore its utility for answering questions related to chemical structures in documents and where these overlap with database records. These aspects are illustrated using a common theme of Dipeptidyl Peptidase 4 (DPPIV) inhibitors. Full-text open URL sources facilitated the download of over 1400 structures from a DPPIV patent and the alignment of specific examples with IC50 data. Uploading the SMILES to PubChem revealed extensive linking to patents and papers, including prior submissions from chemicalize.org as submitting source. A DPPIV medicinal chemistry paper was completely extracted and structures were aligned to the activity results table, as well as linked to other documents via PubChem. In both cases, key structures with data were partitioned from common chemistry by dividing them into individual new PDFs for conversion. Over 500 structures were also extracted from a batch of PubMed abstracts related to DPPIV inhibition. The drug structures could be stepped through each text occurrence and included some converted MeSH-only IUPAC names not linked in PubChem. Performing set intersections proved effective for detecting compounds-in-common between documents and merged extractions. This work demonstrates the utility of chemicalize.org for the exploration of chemical structure connectivity between documents and

On the physico-chemical characteristics of brines

Digital Repository Service at National Institute of Oceanography (India)

Shirodkar, P.V.; Rao, P.V.S.S.D.P.; Singbal, S.Y.S.

Analyses of the natural brines form the salt lakes, salt pans and the artificial brines obtained after the solar desalination of seawater respectively, showed wide differences in their physico-chemical characteristics. The natural brines are markEd...

Understanding Chemical Equilibrium Using Entropy Analysis: The Relationship between [delta]S[subscript tot](sys[superscript o]) and the Equilibrium Constant

Science.gov (United States)

Bindel, Thomas H.

2010-01-01

Entropy analyses as a function of the extent of reaction are presented for a number of physicochemical processes, including vaporization of a liquid, dimerization of nitrogen dioxide, and the autoionization of water. Graphs of the total entropy change versus the extent of reaction give a visual representation of chemical equilibrium and the second…

Economic potential of natural gas-fired cogeneration--analysis of Brazil's chemical industry

International Nuclear Information System (INIS)

Szklo, A.S.; Soares, J.B.; Tolmasquim, M.T.

2004-01-01

This paper attempts to estimate the technical and economic potential for natural gas-fired cogeneration (NGCHP) in Brazil's chemical industry as well as also analyses the impacts of specific incentive policies on the economic feasibility of this potential. Currently, the NGCHP installed capacity at Brazil's chemical industry is still quite a low figure, although the chemical plants are under heavy pressures to: (1) cut costs; and (2) show a rising awareness of the importance of power service quality, underscored even more heavily by Brazil's recent power crisis. According this study, a natural gas-fired remaining technical potential of 1.4 GW is noted in the Brazilian chemical industry. Financing policies showed to be the stand-alone policy that would be most successful for ensuring the economic feasibility of this technical potential. Nevertheless, this policy proved to be affected by the economic scenario under consideration, which includes world oil prices, electricity tariff and foreign exchange ratio possible paths. Consequently, the key issue is related to the ability to assess which economic scenario is rated as more probable by possible future investors in NGCHP, and then selecting the most appropriate incentive policy

Genome and transcriptome analyses of the mountain pine beetle-fungal symbiont Grosmannia clavigera, a lodgepole pine pathogen.

Science.gov (United States)

DiGuistini, Scott; Wang, Ye; Liao, Nancy Y; Taylor, Greg; Tanguay, Philippe; Feau, Nicolas; Henrissat, Bernard; Chan, Simon K; Hesse-Orce, Uljana; Alamouti, Sepideh Massoumi; Tsui, Clement K M; Docking, Roderick T; Levasseur, Anthony; Haridas, Sajeet; Robertson, Gordon; Birol, Inanc; Holt, Robert A; Marra, Marco A; Hamelin, Richard C; Hirst, Martin; Jones, Steven J M; Bohlmann, Jörg; Breuil, Colette

2011-02-08

In western North America, the current outbreak of the mountain pine beetle (MPB) and its microbial associates has destroyed wide areas of lodgepole pine forest, including more than 16 million hectares in British Columbia. Grosmannia clavigera (Gc), a critical component of the outbreak, is a symbiont of the MPB and a pathogen of pine trees. To better understand the interactions between Gc, MPB, and lodgepole pine hosts, we sequenced the ∼30-Mb Gc genome and assembled it into 18 supercontigs. We predict 8,314 protein-coding genes, and support the gene models with proteome, expressed sequence tag, and RNA-seq data. We establish that Gc is heterothallic, and report evidence for repeat-induced point mutation. We report insights, from genome and transcriptome analyses, into how Gc tolerates conifer-defense chemicals, including oleoresin terpenoids, as they colonize a host tree. RNA-seq data indicate that terpenoids induce a substantial antimicrobial stress in Gc, and suggest that the fungus may detoxify these chemicals by using them as a carbon source. Terpenoid treatment strongly activated a ∼100-kb region of the Gc genome that contains a set of genes that may be important for detoxification of these host-defense chemicals. This work is a major step toward understanding the biological interactions between the tripartite MPB/fungus/forest system.

Fourier Transform Mass Spectrometry: The Transformation of Modern Environmental Analyses

Science.gov (United States)

Lim, Lucy; Yan, Fangzhi; Bach, Stephen; Pihakari, Katianna; Klein, David

2016-01-01

Unknown compounds in environmental samples are difficult to identify using standard mass spectrometric methods. Fourier transform mass spectrometry (FTMS) has revolutionized how environmental analyses are performed. With its unsurpassed mass accuracy, high resolution and sensitivity, researchers now have a tool for difficult and complex environmental analyses. Two features of FTMS are responsible for changing the face of how complex analyses are accomplished. First is the ability to quickly and with high mass accuracy determine the presence of unknown chemical residues in samples. For years, the field has been limited by mass spectrometric methods that were based on knowing what compounds of interest were. Secondly, by utilizing the high resolution capabilities coupled with the low detection limits of FTMS, analysts also could dilute the sample sufficiently to minimize the ionization changes from varied matrices. PMID:26784175

Simulation of square wave voltammetry of three electrode reactions coupled by two reversible chemical reactions

OpenAIRE

Lovrić, Milivoj

2017-01-01

Three fast and reversible electrode reactions that are connected by two reversible chemical reactions that are permanently in the equilibrium are analysed theoretically for square wave voltammetry. The dependence of peak potentials on the dimensionless equilibrium constants of chemical reactions is calculated. The influence of the basic thermodynamic parameters on the square wave voltammetric responses is analysed.

Chemical fingerprinting of hydrocarbon-contamination in soil.

Science.gov (United States)

Boll, Esther S; Nejrup, Jens; Jensen, Julie K; Christensen, Jan H

2015-03-01

Chemical fingerprinting analyses of 29 hydrocarbon-contaminated soils were performed to assess the soil quality and determine the main contaminant sources. The results were compared to an assessment based on concentrations of the 16 priority polycyclic aromatic hydrocarbons pointed out by the U.S. Environmental Protection Agency (EPAPAH16) and total petroleum hydrocarbon (TPH). The chemical fingerprinting strategy proposed in this study included four tiers: (i) qualitative analysis of GC-FID chromatograms, (ii) comparison of the chemical composition of both un-substituted and alkyl-substituted polycyclic aromatic compounds (PACs), (iii) diagnostic ratios of selected PACs, and (iv) multivariate data analysis of sum-normalized PAC concentrations. The assessment criteria included quantitative analysis of 19 PACs and C1-C4 alkyl-substituted homologues of naphthalene, fluorene, dibenzothiophene, phenanthrene, pyrene, and chrysene; and 13 oxygenated polycyclic aromatic compounds (O-PACs). The chemical composition of un-substituted and alkyl-substituted PACs and visual interpretation of GC-FID chromatograms were in combination successful in differentiating pyrogenic and petrogenic hydrocarbon sources and in assessing weathering trends of hydrocarbon contamination in the soils. Multivariate data analysis of sum-normalized concentrations could as a stand-alone tool distinguish between hydrocarbon sources of petrogenic and pyrogenic origin, differentiate within petrogenic sources, and detect weathering trends. Diagnostic ratios of PACs were not successful for source identification of the heavily weathered hydrocarbon sources in the soils. The fingerprinting of contaminated soils revealed an underestimation of PACs in petrogenic contaminated soils when the assessment was based solely on EPAPAH16. As alkyl-substituted PACs are dominant in petrogenic sources, the evaluation of the total load of PACs based on EPAPAH16 was not representative. Likewise, the O-PACs are not

Reactive chemicals and process hazards

International Nuclear Information System (INIS)

Surianarayanan, M.

2016-01-01

Exothermic chemical reactions are often accompanied by significant heat release, and therefore, need a thorough investigation before they are taken to a plant scale. Sudden thermal energy releases from exothermic decompositions and runaway reactions have contributed to serious fire and explosions in several chemical process plants. Similarly, thermal runaway had also occurred in storage and transportation of reactive chemicals. The secondary events of thermal runaway reactions can be rupture of process vessel, toxic spills and release of explosive vapor clouds or combination of these also. The explosion hazards are governed by the system thermodynamics and kinetics of the thermal process. Theoretical prediction of limiting temperature is difficult due to process complexities. Further, the kinetic data obtained through classical techniques, at conditions far away from runaway situation, is often not valid for assessing the runaway behavior of exothermic processes. The main focus of this lecture is to discuss the causes and several contributing factors for thermal runaway and instability and present analyses of the methodologies of the new instrumental techniques for assessing the thermal hazards of reactive chemicals during processing, storage and transportation. (author)

Non-allergic cutaneous reactions in airborne chemical sensitivity--a population based study.

Science.gov (United States)

Berg, Nikolaj Drimer; Linneberg, Allan; Thyssen, Jacob Pontoppidan; Dirksen, Asger; Elberling, Jesper

2011-06-01

Multiple chemical sensitivity (MCS) is characterised by adverse effects due to exposure to low levels of chemical substances. The aetiology is unknown, but chemical related respiratory symptoms have been found associated with positive patch test. The purpose of this study was to investigate the relationship between cutaneous reactions from patch testing and self-reported severity of chemical sensitivity to common airborne chemicals. A total of 3460 individuals participating in a general health examination, Health 2006, were patch tested with allergens from the European standard series and screened for chemical sensitivity with a standardised questionnaire dividing the participants into four severity groups of chemical sensitivity. Both allergic and non-allergic cutaneous reactions--defined as irritative, follicular, or doubtful allergic reactions--were analysed in relationship with severity of chemical sensitivity. Associations were controlled for the possible confounding effects of sex, age, asthma, eczema, atopic dermatitis, psychological and social factors, and smoking habits. In unadjusted analyses we found associations between allergic and non-allergic cutaneous reactions on patch testing and the two most severe groups of self-reported sensitivity to airborne chemicals. When adjusting for confounding, associations were weakened, and only non-allergic cutaneous reactions were significantly associated with individuals most severely affected by inhalation of airborne chemicals (odds ratio = 2.5, p = 0.006). Our results suggest that individuals with self-reported chemical sensitivity show increased non-allergic cutaneous reactions based on day 2 readings of patch tests. Copyright © 2011 Elsevier GmbH. All rights reserved.

Investigation of the Factors Influencing Volatile Chemical Fate During Steady-state Accretion on Wet-growing Hail

Science.gov (United States)

Michael, R. A.; Stuart, A. L.

2007-12-01

Phase partitioning during freezing affects the transport and distribution of volatile chemical species in convective clouds. This consequently can have impacts on tropospheric chemistry, air quality, pollutant deposition, and climate change. Here, we discuss the development, evaluation, and application of a mechanistic model for the study and prediction of volatile chemical partitioning during steady-state hailstone growth. The model estimates the fraction of a chemical species retained in a two-phase freezing hailstone. It is based upon mass rate balances over water and solute for accretion under wet-growth conditions. Expressions for the calculation of model components, including the rates of super-cooled drop collection, shedding, evaporation, and hail growth were developed and implemented based on available cloud microphysics literature. Solute fate calculations assume equilibrium partitioning at air-liquid and liquid-ice interfaces. Currently, we are testing the model by performing mass balance calculations, sensitivity analyses, and comparison to available experimental data. Application of the model will improve understanding of the effects of cloud conditions and chemical properties on the fate of dissolved chemical species during hail growth.

Effect of plant chemicals on the behavior of the Mediterranean fruit fly

International Nuclear Information System (INIS)

Papadopoulos, N.T.; Kouloussis, N.A.; Katsoyannos, B.I.

2006-01-01

A review of current information on the relation between plant chemicals and the Mediterranean fruit fly is presented. The influence of age and adult physiology on the response of med flies to plant chemicals is studied. The effect of plant chemicals on med fly behavior during host finding, mating and oviposition is analysed. The possible influence of plant chemicals on the dispersion patterns and spatial distribution of the fly is also addressed. (MAC)

Effect of plant chemicals on the behavior of the Mediterranean fruit fly

Energy Technology Data Exchange (ETDEWEB)

Papadopoulos, N.T., E-mail: nikopap@uth.g [University of Thessaly (Greece). Dept. of Crop Production and Rural Environment. Lab. of Entomology and Agricultural Zoology; Kouloussis, N.A.; Katsoyannos, B.I. [University of Thessaloniki, Thessaloniki (Greece). School of Agriculture

2006-07-01

A review of current information on the relation between plant chemicals and the Mediterranean fruit fly is presented. The influence of age and adult physiology on the response of med flies to plant chemicals is studied. The effect of plant chemicals on med fly behavior during host finding, mating and oviposition is analysed. The possible influence of plant chemicals on the dispersion patterns and spatial distribution of the fly is also addressed. (MAC)

Theoretical study of the electronic structure of f-element complexes by quantum chemical methods; Analyse de la structure electronique des complexes contenant des elements F par des methodes de la chimie quantique

Energy Technology Data Exchange (ETDEWEB)

Vetere, V

2002-09-15

This thesis is related to comparative studies of the chemical properties of molecular complexes containing lanthanide or actinide trivalent cations, in the context of the nuclear waste disposal. More precisely, our aim was a quantum chemical analysis of the metal-ligand bonding in such species. Various theoretical approaches were compared, for the inclusion of correlation (density functional theory, multiconfigurational methods) and of relativistic effects (relativistic scalar and 2-component Hamiltonians, relativistic pseudopotentials). The performance of these methods were checked by comparing computed structural properties to published experimental data, on small model systems: lanthanide and actinide tri-halides and on X{sub 3}M-L species (X=F, Cl; M=La, Nd, U; L = NH{sub 3}, acetonitrile, CO). We have thus shown the good performance of density functionals combined with a quasi-relativistic method, as well as of gradient-corrected functionals associated with relativistic pseudopotentials. In contrast, functionals including some part of exact exchange are less reliable to reproduce experimental trends, and we have given a possible explanation for this result . Then, a detailed analysis of the bonding has allowed us to interpret the discrepancies observed in the structural properties of uranium and lanthanides complexes, based on a covalent contribution to the bonding, in the case of uranium(III), which does not exist in the lanthanide(III) homologues. Finally, we have examined more sizeable systems, closer to experimental species, to analyse the influence of the coordination number, of the counter-ions and of the oxidation state of uranium, on the metal-ligand bonding. (author)

Analyses of soft tissue from Tyrannosaurus rex suggest the presence of protein.

Science.gov (United States)

Schweitzer, Mary Higby; Suo, Zhiyong; Avci, Recep; Asara, John M; Allen, Mark A; Arce, Fernando Teran; Horner, John R

2007-04-13

We performed multiple analyses of Tyrannosaurus rex (specimen MOR 1125) fibrous cortical and medullary tissues remaining after demineralization. The results indicate that collagen I, the main organic component of bone, has been preserved in low concentrations in these tissues. The findings were independently confirmed by mass spectrometry. We propose a possible chemical pathway that may contribute to this preservation. The presence of endogenous protein in dinosaur bone may validate hypotheses about evolutionary relationships, rates, and patterns of molecular change and degradation, as well as the chemical stability of molecules over time.

Assimilation of stratospheric ozone in the chemical transport model STRATAQ

Directory of Open Access Journals (Sweden)

B. Grassi

2004-09-01

Full Text Available We describe a sequential assimilation approach useful for assimilating tracer measurements into a three-dimensional chemical transport model (CTM of the stratosphere. The numerical code, developed largely according to Kha00, uses parameterizations and simplifications allowing assimilation of sparse observations and the simultaneous evaluation of analysis errors, with reasonable computational requirements. Assimilation parameters are set by using χ2 and OmF (Observation minus Forecast statistics. The CTM used here is a high resolution three-dimensional model. It includes a detailed chemical package and is driven by UKMO (United Kingdom Meteorological Office analyses. We illustrate the method using assimilation of Upper Atmosphere Research Satellite/Microwave Limb Sounder (UARS/MLS ozone observations for three weeks during the 1996 antarctic spring. The comparison of results from the simulations with TOMS (Total Ozone Mapping Spectrometer measurements shows improved total ozone fields due to assimilation of MLS observations. Moreover, the assimilation gives indications on a possible model weakness in reproducing polar ozone values during springtime.

Assimilation of stratospheric ozone in the chemical transport model STRATAQ

Directory of Open Access Journals (Sweden)

B. Grassi

2004-09-01

Full Text Available We describe a sequential assimilation approach useful for assimilating tracer measurements into a three-dimensional chemical transport model (CTM of the stratosphere. The numerical code, developed largely according to Kha00, uses parameterizations and simplifications allowing assimilation of sparse observations and the simultaneous evaluation of analysis errors, with reasonable computational requirements. Assimilation parameters are set by using χ² and OmF (Observation minus Forecast statistics. The CTM used here is a high resolution three-dimensional model. It includes a detailed chemical package and is driven by UKMO (United Kingdom Meteorological Office analyses. We illustrate the method using assimilation of Upper Atmosphere Research Satellite/Microwave Limb Sounder (UARS/MLS ozone observations for three weeks during the 1996 antarctic spring. The comparison of results from the simulations with TOMS (Total Ozone Mapping Spectrometer measurements shows improved total ozone fields due to assimilation of MLS observations. Moreover, the assimilation gives indications on a possible model weakness in reproducing polar ozone values during springtime.

The testing of materials within the purview of the laws concerning the control of chemical substances

International Nuclear Information System (INIS)

Bosselmann, K.; Linden, W.

1989-01-01

The main approach adopted for this book is the question of whether and to what extent the commercially available chemical products (ranging from foodstuffs and drugs to pesticides and similar pollutants) have been assessed for environmental and health safety prior to release. The relevant existing laws concerning the testing and characterisation of substances are analysed and compared with a view to the major environmental principle, to prevent chemicals-induced hazards to health and the environment. The book reviews the following laws (and their implementing provisions): law on chemical substances, pesticides, fertilisers, drugs, detergents, leaded petrol, food and feedstuffs, explosives, and transport of hazardous materials. Environmentally significant laws reviewed include the waste management act, the atomic energy act (non-recycable wastes, plutonium, tritium), the water management act, and the act for protection against harmful effects on the environment. (orig./HP) [de

Chemical constituents of Zanthoxylum ekmanii (URB.) Alain

International Nuclear Information System (INIS)

Facundo, Valdir Alves; Silveira, Augusto Sergio Pinto da; Braz Filho, Raimundo; Pinto, Angelo C.; Rezende, Claudia M.

2005-01-01

Chemical investigation of Z. ekmanii resulted in the isolation of skimmianine, dictamnine, tembamide, sesamin, lupeol and β-sitosterol. The structures were established by spectroscopic analyses. This is the first report on the phytochemical study of the roots and leaves of Z. ekmanii. (author)

Control in the Chemical Industry

Science.gov (United States)

Jones, R. G.

1974-01-01

Discusses various control techniques used in chemical processes, including measuring devices, controller functions, control valves, and feedforward and feedback actions. Applications of control to a real chemical plant are exemplified. (CC)

Chemical effects in the mine structure

International Nuclear Information System (INIS)

1992-02-01

The main objective of the workshop was to bring together, and get talking to each other, long-term safety modellers, geochemical modellers and experimenters working in the field of chemical effects, and to give an insight into their respective activity areas and problem constellations. Lectures on the following subjects were given: modelling of chemical effects in long-term safety analysis; influence of brines; corrosion experiments; sorption experiments; actinide chemistry experiments; geochemical modelling; requirements of safety analyses and geochemical modelling. The workshop concluded with a detailed discussion of the subjects raised and of interdisciplinary aspects. (orig./DG) [de

Chemical analyses and calculation of isotopic compositions of high-burnup UO{sub 2} fuels and MOX fuels

Energy Technology Data Exchange (ETDEWEB)

Matsumura, Tetsuo; Sasahara, Akihiro [Central Research Inst. of Electric Power Industry, Tokyo (Japan)

2001-08-01

Chemical analysis activities of isotopic compositions of high-burnup UO{sub 2} fuels and MOX fuels in CRIEPI and calculation evaluation are reviewed briefly. C/E values of ORIGEN2, in which original libraries and JENDL-3.2 libraries are used, and other codes with chemical analysis data are reviewed and evaluated. Isotopic compositions of main U and Pu in fuels can be evaluated within 10% relative errors by suitable libraries and codes. Void ratio is effective parameter for C/E values in BWR fuels. JENDL-3.2 library shows remarkable improvement compared with original libraries in isotopic composition evaluations of FP nuclides. (author)

Laser Beam Focus Analyser

DEFF Research Database (Denmark)

Nielsen, Peter Carøe; Hansen, Hans Nørgaard; Olsen, Flemming Ove

2007-01-01

the obtainable features in direct laser machining as well as heat affected zones in welding processes. This paper describes the development of a measuring unit capable of analysing beam shape and diameter of lasers to be used in manufacturing processes. The analyser is based on the principle of a rotating......The quantitative and qualitative description of laser beam characteristics is important for process implementation and optimisation. In particular, a need for quantitative characterisation of beam diameter was identified when using fibre lasers for micro manufacturing. Here the beam diameter limits...... mechanical wire being swept through the laser beam at varying Z-heights. The reflected signal is analysed and the resulting beam profile determined. The development comprised the design of a flexible fixture capable of providing both rotation and Z-axis movement, control software including data capture...

Toxic chemical hazard classification and risk acceptance guidelines for use in DOE facilities. Revision 2

International Nuclear Information System (INIS)

Craig, D.K.; Davis, J.S.; Prowse, J.; Hoffman, P.W.

1995-01-01

The concentration-limit guidelines presented in this document apply to airborne releases of chemicals evaluated with respect to human health effects for the purposes of hazard classification and categorization, risk assessment and safety analysis. They apply to all DOE facilities and operations involving the use of potentially hazardous chemicals. The guidelines do not address other nonradiological hazards such as fire, pressure releases (including explosions), and chemical reactivity, but the guidelines are applicable to hazardous chemical releases resulting from these events. This report presents the subcommittee's evaluation and recommendations regarding analyses of accidentally released toxic chemicals. The premise upon which these recommendations are based is that the mechanism of action of toxic chemicals is fundamentally different from that associated with radionuclides, with the exception of carcinogens. The recommendations reported herein are restricted to the airborne pathway because in an accident scenario this typically represents the most immediately significant route of public exposure. However, the subcommittee recognizes that exposure to chemicals through other pathways, in particular waterborne, can have significant impacts on human health and the environment. Although there are a number of chemicals for which absorption through the skin can contribute measurably to the total dose in chronic (e.g., occupational) exposure situations, this pathway has not been considered for the acute exposure scenarios considered in this report. Later studies. will address these issues if it appears desirable

Fourier Transform Mass Spectrometry: The Transformation of Modern Environmental Analyses

Directory of Open Access Journals (Sweden)

Lucy Lim

2016-01-01

Full Text Available Unknown compounds in environmental samples are difficult to identify using standard mass spectrometric methods. Fourier transform mass spectrometry (FTMS has revolutionized how environmental analyses are performed. With its unsurpassed mass accuracy, high resolution and sensitivity, researchers now have a tool for difficult and complex environmental analyses. Two features of FTMS are responsible for changing the face of how complex analyses are accomplished. First is the ability to quickly and with high mass accuracy determine the presence of unknown chemical residues in samples. For years, the field has been limited by mass spectrometric methods that were based on knowing what compounds of interest were. Secondly, by utilizing the high resolution capabilities coupled with the low detection limits of FTMS, analysts also could dilute the sample sufficiently to minimize the ionization changes from varied matrices.

Lipid Adjustment for Chemical Exposures: Accounting for Concomitant Variables

Science.gov (United States)

Li, Daniel; Longnecker, Matthew P.; Dunson, David B.

2013-01-01

Background Some environmental chemical exposures are lipophilic and need to be adjusted by serum lipid levels before data analyses. There are currently various strategies that attempt to account for this problem, but all have their drawbacks. To address such concerns, we propose a new method that uses Box-Cox transformations and a simple Bayesian hierarchical model to adjust for lipophilic chemical exposures. Methods We compared our Box-Cox method to existing methods. We ran simulation studies in which increasing levels of lipid-adjusted chemical exposure did and did not increase the odds of having a disease, and we looked at both single-exposure and multiple-exposures cases. We also analyzed an epidemiology dataset that examined the effects of various chemical exposures on the risk of birth defects. Results Compared with existing methods, our Box-Cox method produced unbiased estimates, good coverage, similar power, and lower type-I error rates. This was the case in both single- and multiple-exposure simulation studies. Results from analysis of the birth-defect data differed from results using existing methods. Conclusion Our Box-Cox method is a novel and intuitive way to account for the lipophilic nature of certain chemical exposures. It addresses some of the problems with existing methods, is easily extendable to multiple exposures, and can be used in any analyses that involve concomitant variables. PMID:24051893

Chemical Microsensors For Detection Of Explosives And Chemical Warfare Agents

Science.gov (United States)

Yang, Xiaoguang; Swanson, Basil I.

2001-11-13

An article of manufacture is provided including a substrate having an oxide surface layer and a layer of a cyclodextrin derivative chemically bonded to said substrate, said layer of a cyclodextrin derivative adapted for the inclusion of selected compounds, e.g., nitro-containing organic compounds, therewith. Such an article can be a chemical microsensor capable of detecting a resultant mass change from inclusion of the nitro-containing organic compound.

Studies in Chemical Dynamics

International Nuclear Information System (INIS)

Rabitz, Herschel; Ho, Tak-San

2003-01-01

This final report draws together the research carried from February, 1986 through January, 2003 concerning a series of topics in chemical dynamics. The specific areas of study include molecular collisions, chemical kinetics, data inversion to extract potential energy surfaces, and model reduction of complex kinetic systems

In vitro antibacterial and chemical properties of essential oils including native plants from Brazil against pathogenic and resistant bacteria.

Science.gov (United States)

Barbosa, Lidiane Nunes; Probst, Isabella da Silva; Andrade, Bruna Fernanda Murbach Teles; Alves, Fernanda Cristina Bérgamo; Albano, Mariana; da Cunha, Maria de Lourdes Ribeiro de Souza; Doyama, Julio Toshimi; Rall, Vera Lúcia Mores; Fernandes Júnior, Ary

2015-01-01

The antimicrobials products from plants have increased in importance due to the therapeutic potential in the treatment of infectious diseases. Therefore, we aimed to examine the chemical characterisation (GC-MS) of essential oils (EO) from seven plants and measure antibacterial activities against bacterial strains isolated from clinical human specimens (methicillin-resistant Staphylococcus aureus (MRSA) and sensitive (MSSA), Escherichia coli, Pseudomonas aeruginosa, Salmonella Typhimurium) and foods (Salmonella Enteritidis). Assays were performed using the minimal inhibitory concentration (MIC and MIC90%) (mg/mL) by agar dilution and time kill curve methods (log CFU/mL) to aiming synergism between EO. EO chemical analysis showed a predominance of terpenes and its derivatives. The highest antibacterial activities were with Cinnamomun zeylanicum (0.25 mg/mL on almost bacteria tested) and Caryophyllus aromaticus EO (2.40 mg/mL on Salmonella Enteritidis), and the lowest activity was with Eugenia uniflora (from 50.80 mg/mL against MSSA to 92.40 mg/mL against both Salmonella sources and P. aeruginosa) EO. The time kill curve assays revealed the occurrence of bactericide synergism in combinations of C. aromaticus and C. zeylanicum with Rosmarinus. officinalis. Thus, the antibacterial activities of the EO were large and this can also be explained by complex chemical composition of the oils tested in this study and the synergistic effect of these EO, yet requires further investigation because these interactions between the various chemical compounds can increase or reduce (antagonism effect) the inhibitory effect of essential oils against bacterial strains.

Sorption analyses in materials science: selected oxides

International Nuclear Information System (INIS)

Fuller, E.L. Jr.; Condon, J.B.; Eager, M.H.; Jones, L.L.

1981-01-01

Physical adsorption studies have been shown to be extremely valuable in studying the chemistry and structure of dispersed materials. Many processes rely on the access to the large amount of surface made available by the high degree of dispersion. Conversely, there are many applications where consolidation of the dispersed solids is required. Several systems (silica gel, alumina catalysts, mineralogic alumino-silicates, and yttrium oxide plasters) have been studied to show the type and amount of chemical and structural information that can be obtained. Some review of current theories is given and additional concepts are developed based on statistical and thermodynamic arguments. The results are applied to sorption data to show that detailed sorption analyses are extremely useful and can provide valuable information that is difficult to obtain by any other means. Considerable emphasis has been placed on data analyses and interpretation of a nonclassical nature to show the potential of such studies that is often not recognized nor utilized

Chemical peeling in ethnic/dark skin.

Science.gov (United States)

Roberts, Wendy E

2004-01-01

Chemical peeling for skin of color arose in ancient Egypt, Mesopotamia, and other ancient cultures in and around Africa. Our current fund of medical knowledge regarding chemical peeling is a result of centuries of experience and research. The list of agents for chemical peeling is extensive. In ethnic skin, our efforts are focused on superficial and medium-depth peeling agents and techniques. Indications for chemical peeling in darker skin include acne vulgaris, postinflammatory hyperpigmentation, melasma, scarring, photodamage, and pseudofolliculitis barbae. Careful selection of patients for chemical peeling should involve not only identification of Fitzpatrick skin type, but also determining ethnicity. Different ethnicities may respond unpredictably to chemical peeling regardless of skin phenotype. Familiarity with the properties each peeling agent used is critical. New techniques discussed for chemical peeling include spot peeling for postinflammatory hyperpigmentation and combination peels for acne and photodamage. Single- or combination-agent chemical peels are shown to be efficacious and safe. In conclusion, chemical peeling is a treatment of choice for numerous pigmentary and scarring disorders arising in dark skin tones. Familiarity with new peeling agents and techniques will lead to successful outcomes.

Chemical composition analysis of simulated waste glass T10-G-16A

Energy Technology Data Exchange (ETDEWEB)

Fox, K. M. [Savannah River Site (SRS), Aiken, SC (United States). Savannah River National Lab. (SRNL)

2015-08-01

In this report, SRNL provides chemical composition analyses of a simulated LAW glass designated T10-G-16A.The measured chemical composition data are reported and compared with the targeted values for each component. No issues were identified in reviewing the analytical data.

Entropy Generation in a Chemical Reaction

Science.gov (United States)

Miranda, E. N.

2010-01-01

Entropy generation in a chemical reaction is analysed without using the general formalism of non-equilibrium thermodynamics at a level adequate for advanced undergraduates. In a first approach to the problem, the phenomenological kinetic equation of an elementary first-order reaction is used to show that entropy production is always positive. A…

Three Packets of Minerals of the Periodic Table of Chemical Elements and Chemical Compounds

OpenAIRE

Labushev, Mikhail M.

2013-01-01

The concepts of alpha- and beta-packets of the periodic table of chemical elements and chemical compounds are defined. The first of the 47 minerals alpha-packets is composed. In it all minerals are arranged in increasing Iav index of proportionality of atomic weights of composing chemical elements, the same way as chemical elements are located in increasing atomic weights in the Periodic table. The packet includes 93 known minerals and two compounds - N2O5 and CO2 - being actually minerals. B...

Chemical conversion of hemicellulose coproducts from forest biorefineries to polymers and chemicals

Energy Technology Data Exchange (ETDEWEB)

Boluk, Y.; Jost, R. [Alberta Research Council, Edmonton, AB (Canada)

2009-07-01

Raw material is the basis of the chemical industry. This presentation discussed the chemical conversion of hemicellulose coproducts from forest biorefineries to polymers and chemicals. Biorefining pretreatment processes open up the biomass structure, release hemicelluloses and overcome the resistance to enzymatic hydrolysis. Although hemicellulose is the second most abundant carbohydrate, it does not have many industrial applications. The state of released hemicellulose whether polymeric, oligomeric or monosaccharides depends primarily on the pretreatment process conditions. Physical pretreatment methods include high-pressure steaming and steam explosion; milling and grinding; extrusion; and high-energy radiation. The chemical pretreatment methods involve the use of alkali, acid, gas and oxidizing agents as well as solvents. The biological pretreatment methods involve the use of lignin consuming fungi and cellulose consuming fungi. A profitable use of C5 sugars in monomeric, oligomeric and polymeric forms is necessary for a viable wood to bioethanol process. Hemicellulose composition varies depending on the biomass source. It usually has a lower molecular weight than cellulose, contains branching, and is comprised of several different monosaccharides. The existing commercial chemical products include xylitol, mannitol, and furfural. The hemicellulose coproducts from a lignocellulosic biorefinery have the potential to become a feasible replacement for their fossil-based equivalents. tabs., figs.

Effects of physical and chemical heterogeneity on water-quality samples obtained from wells

Science.gov (United States)

Reilly, Thomas E.; Gibs, Jacob

1993-01-01

Factors that affect the mass of chemical constituents entering a well include the distributions of flow rate and chemical concentrations along and near the screened or open section of the well. Assuming a layered porous medium (with each layer being characterized by a uniform hydraulic conductivity and chemical concentration), a knowledge of the flow from each layer along the screened zone and of the chemical concentrations in each layer enables the total mass entering the well to be determined. Analyses of hypothetical systems and a site at Galloway, NJ, provide insight into the temporal variation of water-quality data observed when withdrawing water from screened wells in heterogeneous ground-water systems.The analyses of hypothetical systems quantitatively indicate the cause-and-effect relations that cause temporal variability in water samples obtained from wells. Chemical constituents that have relatively uniform concentrations with depth may not show variations in concentrations in the water discharged from a well after the well is purged (evacuation of standing water in the well casing). However, chemical constituents that do not have uniform concentrations near the screened interval of the well may show variations in concentrations in the well discharge water after purging because of the physics of ground-water flow in the vicinity of the screen.Water-quality samples were obtained through time over a 30 minute period from a site at Galloway, NJ. The water samples were analyzed for aromatic hydrocarbons, and the data for benzene, toluene, and meta+para xylene were evaluated for temporal variations. Samples were taken from seven discrete zones, and the flow-weighted concentrations of benzene, toluene, and meta+para xylene all indicate an increase in concentration over time during pumping. These observed trends in time were reproduced numerically based on the estimated concentration distribution in the aquifer and the flow rates from each zone.The results of

ICPP [Idaho Chemical Processing Plant] environmental monitoring report, CY-1988

International Nuclear Information System (INIS)

Krivanek, K.R.

1989-08-01

Summarized in this report are the data collected through Environmental Monitoring programs conducted at the Idaho Chemical Processing Plant (ICPP) by the Environmental Engineering (EE) Section of the Nuclear and Industrial Safety (N and IS) Department. The ICPP is responsible for complying with all applicable Federal, State, Local and DOE Rules, Regulations and Orders. Radiological effluent and emissions are regulated by the DOE. The Environmental Protection Agency (EPA) regulates all nonradiological waste resulting from the ICPP operations including all airborne, liquid, and solid waste. The EE subsection completed a Quality Assurance (QA) Plan for Environmental Monitoring activities during the third quarter of 1986. QA activities have resulted in the ICPP's implementation of the Environmental Protection Agency rules and guidelines pertaining to the collection, analyses, and reporting of environmentally related samples. Where no approved methods for analyses existed for radionuclides, currently used methods were submitted for the EPA approval. 33 figs., 14 tabs

Safety design analyses of Korea Advanced Liquid Metal Reactor

International Nuclear Information System (INIS)

Suk, S.D.; Park, C.K.

2000-01-01

The national long-term R and D program updated in 1997 requires Korea Atomic Energy Research Institute (KAERI) to complete by the year 2006 the basic design of Korea Advanced Liquid Metal Reactor (KALIMER), along with supporting R and D work, with the capability of resolving the issue of spent fuel storage as well as with significantly enhanced safety. KALIMER is a 150 MWe pool-type sodium cooled prototype reactor that uses metallic fuel. The conceptual design is currently under way to establish a self consistent design meeting a set of the major safety design requirements for accident prevention. Some of current emphasis include those for inherent and passive means of negative reactivity insertion and decay heat removal, high shutdown reliability, prevention of and protection from sodium chemical reaction, and high seismic margin, among others. All of these requirements affect the reactor design significantly and involve supporting R and D programs of substance. This paper summarizes some of the results of engineering and design analyses performed for the safety of KALIMER. (author)

ATHENA/INTRA analyses for ITER, NSSR-2

International Nuclear Information System (INIS)

Shen, Kecheng; Eriksson, John; Sjoeberg, A.

1999-02-01

The present report is a summary report including thermal-hydraulic analyses made at Studsvik Eco and Safety AB for the ITER NSSR-2 safety documentation. The objective of the analyses was to reveal the safety characteristics of various heat transfer systems at specified operating conditions and to indicate the conditions for which there were obvious risks of jeopardising the structural integrity of the coolant systems. In the latter case also some analyses were made to indicate conceivable mitigating measures for maintaining the integrity.The analyses were primarily concerned with the First Wall and Divertor heat transfer systems. Several enveloping transients were analysed with associated specific flow and heat load boundary conditions. The analyses were performed with the ATHENA and INTRA codes

ATHENA/INTRA analyses for ITER, NSSR-2

Energy Technology Data Exchange (ETDEWEB)

Shen, Kecheng; Eriksson, John; Sjoeberg, A

1999-02-01

The present report is a summary report including thermal-hydraulic analyses made at Studsvik Eco and Safety AB for the ITER NSSR-2 safety documentation. The objective of the analyses was to reveal the safety characteristics of various heat transfer systems at specified operating conditions and to indicate the conditions for which there were obvious risks of jeopardising the structural integrity of the coolant systems. In the latter case also some analyses were made to indicate conceivable mitigating measures for maintaining the integrity.The analyses were primarily concerned with the First Wall and Divertor heat transfer systems. Several enveloping transients were analysed with associated specific flow and heat load boundary conditions. The analyses were performed with the ATHENA and INTRA codes 8 refs, 14 figs, 15 tabs

Device for collecting chemical compounds and related methods

Science.gov (United States)

Scott, Jill R.; Groenewold, Gary S.; Rae, Catherine

2013-01-01

A device for sampling chemical compounds from fixed surfaces and related methods are disclosed. The device may include a vacuum source, a chamber and a sorbent material. The device may utilize vacuum extraction to volatilize the chemical compounds from the fixed surfaces so that they may be sorbed by the sorbent material. The sorbent material may then be analyzed using conventional thermal desorption/gas chromatography/mass spectrometry (TD/GC/MS) instrumentation to determine presence of the chemical compounds. The methods may include detecting release and presence of one or more chemical compounds and determining the efficacy of decontamination. The device may be useful in collection and analysis of a variety of chemical compounds, such as residual chemical warfare agents, chemical attribution signatures and toxic industrial chemicals.

Description of Transmutation Library for Fuel Cycle System Analyses

International Nuclear Information System (INIS)

Piet, Steven J.; Bays, Samuel E.; Hoffman, Edward A.

2010-01-01

This report documents the Transmutation Library that is used in Fuel Cycle System Analyses. This version replaces the 2008 version.(Piet2008) The Transmutation Library has the following objectives: (1) Assemble past and future transmutation cases for system analyses. (2) For each case, assemble descriptive information such as where the case was documented, the purpose of the calculation, the codes used, source of feed material, transmutation parameters, and the name of files that contain raw or source data. (3) Group chemical elements so that masses in separation and waste processes as calculated in dynamic simulations or spreadsheets reflect current thinking of those processes. For example, the CsSr waste form option actually includes all Group 1A and 2A elements. (4) Provide mass fractions at input (charge) and output (discharge) for each case. (5) Eliminate the need for either ''fission product other'' or ''actinide other'' while conserving mass. Assessments of waste and separation cannot use ''fission product other'' or ''actinide other'' as their chemical behavior is undefined. (6) Catalog other isotope-specific information in one place, e.g., heat and dose conversion factors for individual isotopes. (7) Describe the correlations for how input and output compositions change as a function of UOX burnup (for LWR UOX fuel) or fast reactor (FR) transuranic (TRU) conversion ratio (CR) for either FR-metal or FR-oxide. This document therefore includes the following sections: (1) Explanation of the data set information, i.e., the data that describes each case. In no case are all of the data presented in the Library included in previous documents. In assembling the Library, we return to raw data files to extract the case and isotopic data, into the specified format. (2) Explanation of which isotopes and elements are tracked. For example, the transition metals are tracked via the following: two Zr isotopes, Zr-other, Tc99, Tc-other, two Mo-Ru-Rh-Pd isotopes, Mo

Chemical and mineralogical characterization and ceramic suitability ...

African Journals Online (AJOL)

The chemical and mineralogical characterization of raw feldspathic materials from Dschang (Cameroon) was realized by means of X-ray diffraction, differential thermal analyses, optical and scanning electron microscopies, and analytical techniques. It was found that these materials consist of albite (43 ± 3 wt.%), microcline ...

IKEA and the Responsible Governance of Supply Chains : IKEA’s work on chemicals in textiles

OpenAIRE

Boström, Magnus; Gilek, Michael; Jönsson, Anna Maria; Karlsson, Mikael

2013-01-01

This report focuses on IKEA’s management and communication surrounding sustainability in general and chemical risks specifically. IKEA’s work is analysed in relation to theoretical concepts around responsibility, supply chain, and governance . The report focuses on IKEA’s visions and organizational structures, its policy instruments to deal with chemical risks, supplier-relations and communication and learning. The study is based on previous scholarly literature, analyses of relevant document...

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

Visual CRO display of pulse height distribution including discriminator setting for a single channel X-ray analyser

International Nuclear Information System (INIS)

Shaw, S.E.

1979-01-01

An outline for a simple pulse spectroscope which attaches to a standard laboratory CRO is presented. The peak amplitude voltage of each pulse from the linear amplifier of a single channel X-ray analyser is stored for the duration of one oscilloscope trace. For each amplifier pulse, input from the discriminator is tested and if these is coincidence of pulses the oscilloscope beam is blanked for approximately the first 2 cm of its traverse across the screen. Repetition of pulses forms a pulse height distribution with a rectangular dark area marking the position of the discriminator window. (author)

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.

Antimicrobial Chemicals Are Associated with Elevated Antibiotic Resistance Genes in the Indoor Dust Microbiome.

Science.gov (United States)

Hartmann, Erica M; Hickey, Roxana; Hsu, Tiffany; Betancourt Román, Clarisse M; Chen, Jing; Schwager, Randall; Kline, Jeff; Brown, G Z; Halden, Rolf U; Huttenhower, Curtis; Green, Jessica L

2016-09-20

Antibiotic resistance is increasingly widespread, largely due to human influence. Here, we explore the relationship between antibiotic resistance genes and the antimicrobial chemicals triclosan, triclocarban, and methyl-, ethyl-, propyl-, and butylparaben in the dust microbiome. Dust samples from a mixed-use athletic and educational facility were subjected to microbial and chemical analyses using a combination of 16S rRNA amplicon sequencing, shotgun metagenome sequencing, and liquid chromatography tandem mass spectrometry. The dust resistome was characterized by identifying antibiotic resistance genes annotated in the Comprehensive Antibiotic Resistance Database (CARD) from the metagenomes of each sample using the Short, Better Representative Extract Data set (ShortBRED). The three most highly abundant antibiotic resistance genes were tet(W), blaSRT-1, and erm(B). The complete dust resistome was then compared against the measured concentrations of antimicrobial chemicals, which for triclosan ranged from 0.5 to 1970 ng/g dust. We observed six significant positive associations between the concentration of an antimicrobial chemical and the relative abundance of an antibiotic resistance gene, including one between the ubiquitous antimicrobial triclosan and erm(X), a 23S rRNA methyltransferase implicated in resistance to several antibiotics. This study is the first to look for an association between antibiotic resistance genes and antimicrobial chemicals in dust.

Towards interoperable and reproducible QSAR analyses: Exchange of datasets.

Science.gov (United States)

Spjuth, Ola; Willighagen, Egon L; Guha, Rajarshi; Eklund, Martin; Wikberg, Jarl Es

2010-06-30

QSAR is a widely used method to relate chemical structures to responses or properties based on experimental observations. Much effort has been made to evaluate and validate the statistical modeling in QSAR, but these analyses treat the dataset as fixed. An overlooked but highly important issue is the validation of the setup of the dataset, which comprises addition of chemical structures as well as selection of descriptors and software implementations prior to calculations. This process is hampered by the lack of standards and exchange formats in the field, making it virtually impossible to reproduce and validate analyses and drastically constrain collaborations and re-use of data. We present a step towards standardizing QSAR analyses by defining interoperable and reproducible QSAR datasets, consisting of an open XML format (QSAR-ML) which builds on an open and extensible descriptor ontology. The ontology provides an extensible way of uniquely defining descriptors for use in QSAR experiments, and the exchange format supports multiple versioned implementations of these descriptors. Hence, a dataset described by QSAR-ML makes its setup completely reproducible. We also provide a reference implementation as a set of plugins for Bioclipse which simplifies setup of QSAR datasets, and allows for exporting in QSAR-ML as well as old-fashioned CSV formats. The implementation facilitates addition of new descriptor implementations from locally installed software and remote Web services; the latter is demonstrated with REST and XMPP Web services. Standardized QSAR datasets open up new ways to store, query, and exchange data for subsequent analyses. QSAR-ML supports completely reproducible creation of datasets, solving the problems of defining which software components were used and their versions, and the descriptor ontology eliminates confusions regarding descriptors by defining them crisply. This makes is easy to join, extend, combine datasets and hence work collectively, but

Towards interoperable and reproducible QSAR analyses: Exchange of datasets

Directory of Open Access Journals (Sweden)

Spjuth Ola

2010-06-01

Full Text Available Abstract Background QSAR is a widely used method to relate chemical structures to responses or properties based on experimental observations. Much effort has been made to evaluate and validate the statistical modeling in QSAR, but these analyses treat the dataset as fixed. An overlooked but highly important issue is the validation of the setup of the dataset, which comprises addition of chemical structures as well as selection of descriptors and software implementations prior to calculations. This process is hampered by the lack of standards and exchange formats in the field, making it virtually impossible to reproduce and validate analyses and drastically constrain collaborations and re-use of data. Results We present a step towards standardizing QSAR analyses by defining interoperable and reproducible QSAR datasets, consisting of an open XML format (QSAR-ML which builds on an open and extensible descriptor ontology. The ontology provides an extensible way of uniquely defining descriptors for use in QSAR experiments, and the exchange format supports multiple versioned implementations of these descriptors. Hence, a dataset described by QSAR-ML makes its setup completely reproducible. We also provide a reference implementation as a set of plugins for Bioclipse which simplifies setup of QSAR datasets, and allows for exporting in QSAR-ML as well as old-fashioned CSV formats. The implementation facilitates addition of new descriptor implementations from locally installed software and remote Web services; the latter is demonstrated with REST and XMPP Web services. Conclusions Standardized QSAR datasets open up new ways to store, query, and exchange data for subsequent analyses. QSAR-ML supports completely reproducible creation of datasets, solving the problems of defining which software components were used and their versions, and the descriptor ontology eliminates confusions regarding descriptors by defining them crisply. This makes is easy to join

Six Strategies for Chemical Waste Minimization in Laboratories.

Science.gov (United States)

Matteson, Gary C.; Hadley, Cheri R.

1991-01-01

Guidelines are offered to research administrators for reducing the volume of hazardous laboratory waste. Suggestions include a chemical location inventory, a chemical reuse facility, progressive contracts with chemical suppliers, internal or external chemical recycling mechanisms, a "chemical conservation" campaign, and laboratory fees for…

Toxic chemical considerations for tank farm releases

Energy Technology Data Exchange (ETDEWEB)

Van Keuren, J.C.; Davis, J.S., Westinghouse Hanford

1996-08-01

This topical report contains technical information used to determine the accident consequences of releases of toxic chemical and gases for the Tank Farm Final Safety Analysis report (FSAR).It does not provide results for specific accident scenarios but does provide information for use in those calculations including chemicals to be considered, chemical concentrations, chemical limits and a method of summing the fractional contributions of each chemical. Tank farm composites evaluated were liquids and solids for double shell tanks, single shell tanks, all solids,all liquids, headspace gases, and 241-C-106 solids. Emergency response planning guidelines (ERPGs) were used as the limits.Where ERPGs were not available for the chemicals of interest, surrogate ERPGs were developed. Revision 2 includes updated sample data, an executive summary, and some editorial revisions.

Chemical and ecotoxicological analyses of sediments and elutriates of contaminated rivers due to e-waste recycling activities using a diverse battery of bioassays

Energy Technology Data Exchange (ETDEWEB)

Wang, F.; Leung, A.O.W.; Wu, S.C.; Yang, M.S. [Croucher Institute for Environmental Sciences, and Department of Biology, Hong Kong Baptist University, Kowloon Tong (Hong Kong); Wong, M.H., E-mail: mhwong@hkbu.edu.h [Croucher Institute for Environmental Sciences, and Department of Biology, Hong Kong Baptist University, Kowloon Tong (Hong Kong)

2009-07-15

A multi-trophic, multi-exposure phase assessment approach was applied to characterize the toxicity of sediments collected from two rivers in Guiyu, China, an e-waste recycling centre. Elutriate toxicity tests (bacterium Vibrio fischeri and microalga Selenastrum capricornutum) and whole sediment toxicity test (crustacean Heterocypris incongruens) showed that most sediments exhibited acute toxicity, due to elevated heavy metals and PAHs levels, and low pH caused by uncontrolled acid discharge. The survival rates of crustaceans were negatively (p < 0.05) correlated with total PAHs in sediments (411-1755 mg kg{sup -1}); EC50s of V. fischeri on the elutriates were significantly correlated with elutriate pH (p < 0.01). Significant (p < 0.05) correlations between the induction of hepatic metallothionein in tilapia (Oreochromis mossambicus) and metal concentrations (Cu, Zn, Pb) in sediments were also observed, when fish were fed with diets containing sediment. The results showed that uncontrolled e-waste recycling activities may bring adverse effects to local aquatic ecosystem. - Toxicity tests using different trophic organisms provided important information, supplementing chemical analyses.

Principles of chemical kinetics

CERN Document Server

House, James E

2007-01-01

James House's revised Principles of Chemical Kinetics provides a clear and logical description of chemical kinetics in a manner unlike any other book of its kind. Clearly written with detailed derivations, the text allows students to move rapidly from theoretical concepts of rates of reaction to concrete applications. Unlike other texts, House presents a balanced treatment of kinetic reactions in gas, solution, and solid states. The entire text has been revised and includes many new sections and an additional chapter on applications of kinetics. The topics covered include quantitative rela

Low-frequency electromagnetic measurements as a zero-time discriminant of nuclear and chemical explosions - OSI research final report

International Nuclear Information System (INIS)

Sweeney, J.J.

1996-12-01

This is the final report on a series of investigations of low frequency (1-40 Hz) electromagnetic signals produced by above ground and underground chemical explosions and their use for confidence building under the Comprehensive Test-Ban Treaty. I conclude that low frequency electromagnetic measurements can be a very powerful tool for zero-time discrimination of chemical and nuclear explosions for yields of 1 Kt or greater, provided that sensors can be placed within 1-2 km of the suspected detonation point in a tamper-proof, low noise environment. The report includes descriptions and analyses of low frequency electromagnetic measurements associated with chemical explosions carried out in a variety of settings (shallow borehole, open pit mining, underground mining). I examine cavity pressure data from the Non-Proliferation Experiment (underground chemical explosion) and present the hypothesis that electromagnetic signals produced by underground chemical explosions could be produced during rock fracturing. I also review low frequency electromagnetic data from underground nuclear explosions acquired by Lawrence Livermore National Laboratory during the late 1980s. (author)

Infrared Spectroscopy as a Chemical Fingerprinting Tool

Science.gov (United States)

Huff, Timothy L.

2003-01-01

Infrared (IR) spectroscopy is a powerful analytical tool in the chemical fingerprinting of materials. Any sample material that will interact with infrared light produces a spectrum and, although normally associated with organic materials, inorganic compounds may also be infrared active. The technique is rapid, reproducible and usually non-invasive to the sample. That it is non-invasive allows for additional characterization of the original material using other analytical techniques including thermal analysis and RAMAN spectroscopic techniques. With the appropriate accessories, the technique can be used to examine samples in liquid, solid or gas phase. Both aqueous and non-aqueous free-flowing solutions can be analyzed, as can viscous liquids such as heavy oils and greases. Solid samples of varying sizes and shapes may also be examined and with the addition of microscopic IR (microspectroscopy) capabilities, minute materials such as single fibers and threads may be analyzed. With the addition of appropriate software, microspectroscopy can be used for automated discrete point or compositional surface area mapping, with the latter providing a means to record changes in the chemical composition of a material surface over a defined area. Due to the ability to characterize gaseous samples, IR spectroscopy can also be coupled with thermal processes such as thermogravimetric (TG) analyses to provide both thermal and chemical data in a single run. In this configuration, solids (or liquids) heated in a TG analyzer undergo decomposition, with the evolving gases directed into the IR spectrometer. Thus, information is provided on the thermal properties of a material and the order in which its chemical constituents are broken down during incremental heating. Specific examples of these varied applications will be cited, with data interpretation and method limitations further discussed.

Sensitivity and uncertainty analyses for performance assessment modeling

International Nuclear Information System (INIS)

Doctor, P.G.

1988-08-01

Sensitivity and uncertainty analyses methods for computer models are being applied in performance assessment modeling in the geologic high level radioactive waste repository program. The models used in performance assessment tend to be complex physical/chemical models with large numbers of input variables. There are two basic approaches to sensitivity and uncertainty analyses: deterministic and statistical. The deterministic approach to sensitivity analysis involves numerical calculation or employs the adjoint form of a partial differential equation to compute partial derivatives; the uncertainty analysis is based on Taylor series expansions of the input variables propagated through the model to compute means and variances of the output variable. The statistical approach to sensitivity analysis involves a response surface approximation to the model with the sensitivity coefficients calculated from the response surface parameters; the uncertainty analysis is based on simulation. The methods each have strengths and weaknesses. 44 refs

Including investment risk in large-scale power market models

DEFF Research Database (Denmark)

Lemming, Jørgen Kjærgaard; Meibom, P.

2003-01-01

Long-term energy market models can be used to examine investments in production technologies, however, with market liberalisation it is crucial that such models include investment risks and investor behaviour. This paper analyses how the effect of investment risk on production technology selection...... can be included in large-scale partial equilibrium models of the power market. The analyses are divided into a part about risk measures appropriate for power market investors and a more technical part about the combination of a risk-adjustment model and a partial-equilibrium model. To illustrate...... the analyses quantitatively, a framework based on an iterative interaction between the equilibrium model and a separate risk-adjustment module was constructed. To illustrate the features of the proposed modelling approach we examined how uncertainty in demand and variable costs affects the optimal choice...

Chemical data and statistical analyses from a uranium hydrogeochemical survey of the Rio Ojo Caliente drainage basin, New Mexico. Part I. Water

International Nuclear Information System (INIS)

Wenrich-Verbeek, K.J.; Suits, V.J.

1979-01-01

This report presents the chemical analyses and statistical evaluation of 62 water samples collected in the north-central part of New Mexico near Rio Ojo Caliente. Both spring and surface-water samples were taken throughout the Rio Ojo Caliente drainage basin above and a few miles below the town of La Madera. A high U concentration (15 μg/l) found in the water of the Rio Ojo Caliente near La Madera, Rio Arriba County, New Mexico, during a regional sampling-technique study in August 1975 by the senior author, was investigated further in May 1976 to determine whether stream waters could be effectively used to trace the source of a U anomaly. A detailed study of the tributaries to the Rio Ojo Caliente, involving 29 samples, was conducted during a moderate discharge period, May 1976, so that small tributaries would contain water. This study isolated Canada de la Cueva as the tributary contributing the anomalous U, so that in May 1977, an extremely low discharge period due to the 1977 drought, an additional 33 samples were taken to further define the anomalous area. 6 references, 3 figures, 6 tables

Phenomenological description of selected elementary chemical reaction mechanisms: An information-theoretic study

International Nuclear Information System (INIS)

Esquivel, R.O.; Flores-Gallegos, N.; Iuga, C.; Carrera, E.M.; Angulo, J.C.; Antolin, J.

2010-01-01

The information-theoretic description of the course of two elementary chemical reactions allows a phenomenological description of the chemical course of the hydrogenic abstraction and the S N 2 identity reactions by use of Shannon entropic measures in position and momentum spaces. The analyses reveal their synchronous/asynchronous mechanistic behavior.

Fifty-Year Trends in the Chemical Industry: What Do They Mean for Chemical Education?

Science.gov (United States)

Tolman, Chadwick A.; Parshall, George W.

1999-01-01

Describes major changes that have occurred in the chemical industry over the last 50 years including trends in the development of products and processes, changes in chemical manufacturing, the globalization of business, and modifications of research laboratory practices. Discusses implications for chemistry education and predictions for future…

Rapid Radiochemical Analyses in Support of Fukushima Nuclear Accident - 13196

Energy Technology Data Exchange (ETDEWEB)

Maxwell, Sherrod L.; Culligan, Brian K.; Hutchison, Jay B. [Savannah River National Laboratory, Building 735-B, Aiken, SC 29808 (United States)

2013-07-01

There is an increasing need to develop faster analytical methods for emergency response, including emergency soil and air filter samples [1, 2]. The Savannah River National Laboratory (SRNL) performed analyses on samples received from Japan in April, 2011 as part of a U.S. Department of Energy effort to provide assistance to the government of Japan, following the nuclear event at Fukushima Daiichi, resulting from the earthquake and tsunami on March 11, 2011. Of particular concern was whether it was safe to plant rice in certain areas (prefectures) near Fukushima. The primary objectives of the sample collection, sample analysis, and data assessment teams were to evaluate personnel exposure hazards, identify the nuclear power plant radiological source term and plume deposition, and assist the government of Japan in assessing any environmental and agricultural impacts associated with the nuclear event. SRNL analyzed approximately 250 samples and reported approximately 500 analytical method determinations. Samples included soil from farmland surrounding the Fukushima reactors and air monitoring samples of national interest, including those collected at the U.S. Embassy and American military bases. Samples were analyzed for a wide range of radionuclides, including strontium-89, strontium-90, gamma-emitting radionuclides, and plutonium, uranium, americium and curium isotopes. Technical aspects of the rapid soil and air filter analyses will be described. The extent of radiostrontium contamination was a significant concern. For {sup 89,90}Sr analyses on soil samples, a rapid fusion technique using 1.5 gram soil aliquots to enable a Minimum Detectable Activity (MDA) of <1 pCi {sup 89,90}Sr /g of soil was employed. This sequential technique has been published recently by this laboratory for actinides and radiostrontium in soil and vegetation [3, 4]. It consists of a rapid sodium hydroxide fusion, pre-concentration steps using iron hydroxide and calcium fluoride

Chemical Speciation - General Information

Science.gov (United States)

This page includes general information about the Chemical Speciation Network that is not covered on the main page. Commonly visited documents, including calendars, site lists, and historical files for the program are listed here

Chemical composition of lunar material.

Science.gov (United States)

Maxwell, J A; Abbey, S; Champ, W H

1970-01-30

Chemical and emission spectrographic analyses of three Apollo 11 samples, 10017-29, 10020-30, and 10084-132, are given. Major and minor constituents were determined both by conventional rock analysis methods and by a new composite scheme utilizing a lithium fluoborate method for dissolution of the samples and atomic absorption spectroscopy and colorimetry. Trace constituents were determined by optical emission spectroscopy involving a d-c arc, air-jet controlled.

On-stream chemical element monitor

International Nuclear Information System (INIS)

Averitt, O.R.; Dorsch, R.R.

1979-01-01

An apparatus and method for on-stream chemical element monitoring are described wherein a multiplicity of sample streams are flowed continuously through individual analytical cells and fluorescence analyses are performed on the sample streams in sequence, together with a method of controlling the time duration of each analysis as a function of the concomitant radiation exposure of a preselected perforate reference material interposed in the sample-radiation source path

Real-time chemical characterization of atmospheric particulate matter in China: A review

Science.gov (United States)

Li, Yong Jie; Sun, Yele; Zhang, Qi; Li, Xue; Li, Mei; Zhou, Zhen; Chan, Chak K.

2017-06-01

Atmospheric particulate matter (PM) pollution has become a major health threat accompanying the rapid economic development in China. For decades, filter-based offline chemical analyses have been the most widely adopted means to investigate PM and have provided much information for understanding this type of pollution in China. However, offline analyses have low time resolutions and the chemical information thus obtained fail to reflect the dynamic nature of the sources and the rapid processes leading to the severe PM pollution in China. In recent years, advances in real-time PM chemical characterization have created a new paradigm for PM studies in China. In this review, we summarize those advances, focusing on the most widely used mass spectrometric and ion chromatographic techniques. We describe the findings from those studies in terms of spatiotemporal variabilities, degree of neutralization and oxygenation, source apportionment, secondary formation, as well as collocated measurements of the chemical and physical (hygroscopic and optical) properties of PM. We also highlight the new insights gained from those findings and suggest future directions for further advancing our understanding of PM pollution in China via real-time chemical characterization.

Reduction of chemical reaction models

Science.gov (United States)

Frenklach, Michael

1991-01-01

An attempt is made to reconcile the different terminologies pertaining to reduction of chemical reaction models. The approaches considered include global modeling, response modeling, detailed reduction, chemical lumping, and statistical lumping. The advantages and drawbacks of each of these methods are pointed out.

Ecological Assembly of Chemical Mixtures

Science.gov (United States)

Human-environment interactions have a significant role in the formation of chemical mixtures in the environment and by extension in human tissues and fluids. These interactions, which include decisions to purchase and use products containing chemicals as well as behaviors and act...

Chemical compositions, methods of making the chemical compositions, and structures made from the chemical compositions

Science.gov (United States)

Yang, Lei; Cheng, Zhe; Liu, Ze; Liu, Meilin

2015-01-13

Embodiments of the present disclosure include chemical compositions, structures, anodes, cathodes, electrolytes for solid oxide fuel cells, solid oxide fuel cells, fuel cells, fuel cell membranes, separation membranes, catalytic membranes, sensors, coatings for electrolytes, electrodes, membranes, and catalysts, and the like, are disclosed.

Thermally emissive sensing materials for chemical spectroscopy analysis

Science.gov (United States)

Poole, Zsolt; Ohodnicki, Paul R.

2018-05-08

A sensor using thermally emissive materials for chemical spectroscopy analysis includes an emissive material, wherein the emissive material includes the thermally emissive materials which emit electromagnetic radiation, wherein the electromagnetic radiation is modified due to chemical composition in an environment; and a detector adapted to detect the electromagnetic radiation, wherein the electromagnetic radiation is indicative of the chemical interaction changes and hence chemical composition and/or chemical composition changes of the environment. The emissive material can be utilized with an optical fiber sensor, with the optical fiber sensor operating without the emissive material probed with a light source external to the material.

Non-allergic cutaneous reactions in airborne chemical sensitivity--a population based study

DEFF Research Database (Denmark)

Berg, Nikolaj Drimer; Linneberg, Allan; Thyssen, Jacob Pontoppidan

2011-01-01

the relationship between cutaneous reactions from patch testing and self-reported severity of chemical sensitivity to common airborne chemicals. A total of 3460 individuals participating in a general health examination, Health 2006, were patch tested with allergens from the European standard series and screened...... for chemical sensitivity with a standardised questionnaire dividing the participants into four severity groups of chemical sensitivity. Both allergic and non-allergic cutaneous reactions--defined as irritative, follicular, or doubtful allergic reactions--were analysed in relationship with severity of chemical...... most severe groups of self-reported sensitivity to airborne chemicals. When adjusting for confounding, associations were weakened, and only non-allergic cutaneous reactions were significantly associated with individuals most severely affected by inhalation of airborne chemicals (odds ratio = 2.5, p = 0...

The Numerical Simulation of Coupling Behavior of Soil with Chemical Pollutant Effects

Science.gov (United States)

Liu, Z. J.; Li, X. K.; Tang, L. Q.

2010-05-01

The coupling behavior of clay plays a role in the integrity of clay barriers used in landfills. The clay barriers are subjected to mechanical and thermal effects coupled with hydraulic behavior, also, if the leachates become in contact with the clay liner, chemical effects may lead to some drastic changes in the properties of the clay. A numerical method to simulate the coupling behavior of soil with chemical pollutant effects is presented. Within the framework of Gens-Alonso model describing the constitutive behavior of unsaturated clay presented in reference[1], basing on the work of Wu[2] and Hueckel[3], a constitutive model describing the chemo-thermo-hydro-mechanical(CTHM) coupling behavior of clays in contact with a single organic contaminant is presented. The thermical softening and chemical softening is considered in the presented model. The strain arising in the material due to chemical and thermical effects can be decomposed into two parts: elastic expansion and plastic compaction. The chemical effects are described in terms of the mass concentration of the contaminant. The increases in temperature and contaminant concentration cause decreases of the pre-consolidation pressure and the cohesion. The mechanisms are called thermical softening and chemical softening. The presented coupled CTHM constitutive model has been integrated into the coupled thermo-hydro-mechanical mathematical model including contaminant transport in porous media. To solve the equilibrium equations, the grogram of finite element methods is developed with a stagger algorithm. The mechanisms taking place due to the coupling behaviour of the clay with a single contaminant solute are analysed with the presented numerical method.

Chemical Functionalization and Characterization of Cellulose Extracted from Wheat Straw Using Acid Hydrolysis Methodologies

Directory of Open Access Journals (Sweden)

Chemar J. Huntley

2015-01-01

Full Text Available The nonuniform distribution of cellulose into many composite materials is attributed to the hydrogen bonding observed by the three hydroxyl groups located on each glucose monomer. As an alternative, chemical functionalization is performed to disrupt the strong hydrogen bonding behavior without significant altering of the chemical structure or lowering of the thermal stability. In this report, we use wheat straw as the biomass source for the extraction of cellulose and, subsequently, chemical modification via the Albright-Goldman and Jones oxidation reactions. X-ray diffraction analyses reveal that upon oxidation a slight change in the cellulose polymorphic structure (CI to CII can be observed when compared to its unmodified counterpart. Scanning electron microscopy analyses show that the oxidized cellulose structure exhibits fiber-like crystals with lengths and diameters on the micrometer scale. Thermal analyses (differential scanning calorimetry and thermogravimetric analysis show an increase in the thermal stability for the modified cellulose at extremely high temperatures (>300°C.

Operational and biological analyses of branched water-adjustment and combined treatment of wastewater from a chemical industrial park.

Science.gov (United States)

Xu, Ming; Cao, Jiashun; Li, Chao; Tu, Yong; Wu, Haisuo; Liu, Weijing

2018-01-01

The combined biological processes of branched water-adjustment, chemical precipitation, hydrolysis acidification, secondary sedimentation, Anoxic/Oxic and activated carbon treatment were used for chemical industrial wastewater treatment in the Taihu Lake Basin. Full-scale treatment resulted in effluent chemical oxygen demand, total nitrogen, NH 3 -N and total phosphorus of 35.1, 5.20, 3.10 and 0.15 mg/L, respectively, with a total removal efficiency of 91.1%, 67.1%, 70.5% and 89.3%, respectively. In this process, short-circuited organic carbon from brewery wastewater was beneficial for denitrification and second-sulfate reduction. The concentration of effluent fluoride was 6.22 mg/L, which also met the primary standard. Gas Chromatography-Mass Spectrometry analysis revealed that many types of refractory compounds were present in the inflow. Microbial community analysis performed in the summer by PCR-denaturing gradient gel electrophoresis and MiSeq demonstrated that certain special functional bacteria, such as denitrificans, phosphorus-accumulating bacteria, sulfate- and perhafnate-reducing bacteria, aromatic compound-degrading bacteria and organic fluoride-degrading bacteria, present in the bio-tanks were responsible for the acceptable specific biological pollutant reduction achieved.

Neutronics-processing interface analyses for the Accelerator Transmutation of Waste (ATW) aqueous-based blanket system

International Nuclear Information System (INIS)

Davidson, J.W.; Battat, M.E.

1993-01-01

Neutronics-processing interface parameters have large impacts on the neutron economy and transmutation performance of an aqueous-based Accelerator Transmutation of Waste (ATW) system. A detailed assessment of the interdependence of these blanket neutronic and chemical processing parameters has been performed. Neutronic performance analyses require that neutron transport calculations for the ATW blanket systems be fully coupled with the blanket processing and include all neutron absorptions in candidate waste nuclides as well as in fission and transmutation products. The effects of processing rates, flux levels, flux spectra, and external-to-blanket inventories on blanket neutronic performance were determined. In addition, the inventories and isotopics in the various subsystems were also calculated for various actinide and long-lived fission product transmutation strategies

Views on chemical safety information and influences on chemical disposal behaviour in the UK

International Nuclear Information System (INIS)

Hinks, J.; Bush, J.; Andras, P.; Garratt, J.; Pigott, G.; Kennedy, A.; Pless-Mulloli, T.

2009-01-01

This study examined how groups representing four tiers in the chemical supply chain (manufacturers, vendors, workers and consumers) understood safety information, and the factors that influenced disposal behaviour. Data from seven, semi-structured, focus groups was analysed both qualitatively (textual analysis) and quantitatively (network analysis). Such combined analytical methods enabled us to achieve both detailed insights into perceptions and behaviour and an objective understanding of the prevailing opinions that occurred within and between the focus group discussions. We found issues around awareness, trust, access and disposal behaviours differed between groups within the supply chain. Participants from the lower tiers perceived chemical safety information to be largely inaccessible. Labels were the main source of information on chemical risks for the middle and bottom tiers of the supply chain. Almost all of the participants were aware of the St Andrew's Cross and skull and crossbones symbols but few were familiar with the Volatile Organic Compound logo or the fish and tree symbol. Both the network and thematic analysis demonstrated that whilst frequent references to health risks associated with chemicals were made environmental risks were usually only articulated after prompting. It is clear that the issues surrounding public understanding of chemical safety labels are highly complex and this is compounded by inconsistencies in the cognitive profiles of chemical users. Substantially different cognitive profiles are likely to contribute towards communication difficulties between different tiers of the supply chain. Further research is needed to examine the most effective ways of communicating chemical hazards information to the public. The findings demonstrate a need to improve and simplify disposal guidance to members of the public, to raise public awareness of the graphic symbols in the CHIP 3.1, 2005 regulations and to improve access to disposal guidance

Fate of chemical warfare agents and toxic industrial chemicals in landfills.

Science.gov (United States)

Bartelt-Hunt, Shannon L; Barlaz, Morton A; Knappe, Detlef R U; Kjeldsen, Peter

2006-07-01

One component of preparedness for a chemical attack is planning for the disposal of contaminated debris. To assess the feasibility of contaminated debris disposal in municipal solid waste (MSW) landfills, the fate of selected chemical warfare agents (CWAs) and toxic industrial chemicals (TICs) in MSW landfills was predicted with a mathematical model. Five blister agents [sulfur mustard (HD), nitrogen mustard (HN-2), lewisite (L), ethyldichloroarsine (ED), and phosgene oxime (CX)], eight nerve agents [tabun (GA), sarin (GB), soman (GD), GE, GF, VX, VG, and VM], one riot-control agent [CS], and two TICs [furan and carbon disulfide] were studied. The effects of both infiltration (climate) and contaminant biodegradability on fate predictions were assessed. Model results showed that hydrolysis and gas-phase advection were the principal fate pathways for CWAs and TICs, respectively. Apart from CX and the TICs, none of the investigated compounds was predicted to persist in a landfill for more than 5 years. Climate had little impact on CWA/TIC fate, and biodegradability was only important for compounds with long hydrolysis half-lives. Monte Carlo simulations were performed to assess the influence of uncertainty in model input parameters on CWA/TIC fate predictions. Correlation analyses showed that uncertainty in hydrolysis rate constants was the primary contributor to variance of CWA fate predictions, while uncertainty in the Henry's Law constant and landfill gas-production rate accounted for most of the variance of TIC fate predictions. CWA hydrolysates were more persistent than the parent CWAs, but limited information is available on abiotic or biotic transformation rates for these chemicals.

Chemical Emissions of Residential Materials and Products: Review of Available Information

Energy Technology Data Exchange (ETDEWEB)

Willem, Henry; Singer, Brett

2010-09-15

This report is prepared in the context of a larger program whose mission is to advance understanding of ventilation and indoor air quality in U.S. homes. A specific objective of this program is to develop the scientific basis ? through controlled experiments, monitoring and analysis ? for health risk-based ventilation standards. Appropriate and adequate ventilation is a basic element of a healthy home. Ventilation provides outdoor air and in the process removes indoor odors and contaminants including potentially unhealthful chemicals emitted by indoor materials, products and activities. Ventilation traditionally was assured to occur via infiltration of outdoor air through cracks and other leakage pathways in the residential building envelope. As building air tightness is improved for energy efficiency, infiltration can be reduced to inadequate levels. This has lead to the development of standards requiring mechanical ventilation. Though nominally intended to ensure acceptable indoor air quality, the standards are not explicitly tied to health risk or pollutant exposure targets. LBNL is currently designing analyses to assess the impact of varying ventilation standards on pollutant concentrations, health risks and energy use. These analyses require information on sources of chemical pollutant emissions, ideally including emission rates and the impact of ventilation on emissions. Some information can be obtained from recent studies that report measurements of various air contaminants and their concentrations in U.S. residences. Another way to obtain this information is the bottom-up approach of collecting and evaluating emissions data from construction and interior materials and common household products. This review contributes to the latter approach by summarizing available information on chemical emissions from new residential products and materials. We review information from the scientific literature and public sources to identify and discuss the databases that

X-ray methods for the chemical characterization of atmospheric aerosols

International Nuclear Information System (INIS)

Jaklevic, J.M.; Thompson, A.C.

1981-05-01

The development and use of several x-ray methods for the chemical characterization of atmospherical aerosol particulate samples are described. These methods are based on the emission, absorption, and scattering of x-ray photons with emphasis on the optimization for the non-destructive analysis of dilute specimens. Techniques discussed include photon induced energy dispersive x-ray fluorescence, extended x-ray absorption fine structure spectroscopy using synchrotron radiation and high-rate x-ray powder diffractometry using a position-sensitive gas proportional counter. These x-ray analysis methods were applied to the measurement of the chemical compositions of size-segregated aerosol particulate samples obtained with dichotomous samplers. The advantages of the various methods for use in such measurements are described and results are presented. In many cases, the complementary nature of the analytical information obtained from the various measurements is an important factor in the characterization of the sample. For example, the multiple elemental analyses obtained from x-ray fluorescence can be used as a cross check on the major compounds observed by powder diffraction

Externally predictive single-descriptor based QSPRs for physico-chemical properties of polychlorinated-naphthalenes: Exploring relationships of log SW, log KOA, and log KOW with electron-correlation

International Nuclear Information System (INIS)

Chayawan; Vikas

2015-01-01

Highlights: • Aqueous solubility and partition coefficient are modelled using single-parameter. • Electron-correlation observed as a vital predictorof physico-chemical properties. • For octanol-air partition coefficient, energy and polarizability yield best models. • Dipole-moment is found to be worst single-descriptor for the properties analysed. - Abstract: Quantitative structure–property relationships (QSPRs), based only on a single-parameter, are proposed for the prediction of physico-chemical properties, namely, aqueous solubility (log S W ), octanol–water partition coefficient (log K OW ) and octanol–air partition coefficient (log K OA ) of polychloronaphthalenes (PCNs) including all the 75 chloronaphthalene congeners. The QSPR models are developed using molecular descriptors computed through quantum mechanical methods including ab-initio as well as advanced semi-empirical methods. The predictivity of the developed models is tested through state-of-the-art external validation procedures employing an external prediction set of compounds. To analyse the role of instantaneous interactions between electrons (the electron-correlation), the models are also compared with those developed using only the electron-correlation contribution of the quantum chemical descriptor. The electron-correlation contribution towards the chemical hardness and the LUMO energy are observed to be the best predictors for octanol–water partition coefficient, whereas for the octanol–air partition coefficient, the total electronic energy and electron-correlation energy are found to be reliable descriptors, in fact, even better than the polarisability. For aqueous solubility of PCNs, the absolute electronegativity is observed to be the best predictor. This work suggests that the electron-correlation contribution of a quantum-chemical descriptor can be used as a reliable indicator for physico-chemical properties, particularly the partition coefficients

A modeling approach to compare ΣPCB concentrations between congener-specific analyses

Science.gov (United States)

Gibson, Polly P.; Mills, Marc A.; Kraus, Johanna M.; Walters, David M.

2017-01-01

Changes in analytical methods over time pose problems for assessing long-term trends in environmental contamination by polychlorinated biphenyls (PCBs). Congener-specific analyses vary widely in the number and identity of the 209 distinct PCB chemical configurations (congeners) that are quantified, leading to inconsistencies among summed PCB concentrations (ΣPCB) reported by different studies. Here we present a modeling approach using linear regression to compare ΣPCB concentrations derived from different congener-specific analyses measuring different co-eluting groups. The approach can be used to develop a specific conversion model between any two sets of congener-specific analytical data from similar samples (similar matrix and geographic origin). We demonstrate the method by developing a conversion model for an example data set that includes data from two different analytical methods, a low resolution method quantifying 119 congeners and a high resolution method quantifying all 209 congeners. We used the model to show that the 119-congener set captured most (93%) of the total PCB concentration (i.e., Σ209PCB) in sediment and biological samples. ΣPCB concentrations estimated using the model closely matched measured values (mean relative percent difference = 9.6). General applications of the modeling approach include (a) generating comparable ΣPCB concentrations for samples that were analyzed for different congener sets; and (b) estimating the proportional contribution of different congener sets to ΣPCB. This approach may be especially valuable for enabling comparison of long-term remediation monitoring results even as analytical methods change over time. 

Chemical Sciences Division annual report 1994

Energy Technology Data Exchange (ETDEWEB)

NONE

1995-06-01

The division is one of ten LBL research divisions. It is composed of individual research groups organized into 5 scientific areas: chemical physics, inorganic/organometallic chemistry, actinide chemistry, atomic physics, and chemical engineering. Studies include structure and reactivity of critical reaction intermediates, transients and dynamics of elementary chemical reactions, and heterogeneous and homogeneous catalysis. Work for others included studies of superconducting properties of high-{Tc} oxides. In FY 1994, the division neared completion of two end-stations and a beamline for the Advanced Light Source, which will be used for combustion and other studies. This document presents summaries of the studies.

On the Complexity of Reconstructing Chemical Reaction Networks

DEFF Research Database (Denmark)

Fagerberg, Rolf; Flamm, Christoph; Merkle, Daniel

2013-01-01

The analysis of the structure of chemical reaction networks is crucial for a better understanding of chemical processes. Such networks are well described as hypergraphs. However, due to the available methods, analyses regarding network properties are typically made on standard graphs derived from...... the full hypergraph description, e.g. on the so-called species and reaction graphs. However, a reconstruction of the underlying hypergraph from these graphs is not necessarily unique. In this paper, we address the problem of reconstructing a hypergraph from its species and reaction graph and show NP...

Thermal-chemical-mechanical feedback during fluid-rock interactions: Implications for chemical transport and scales of equilibria in the crust

International Nuclear Information System (INIS)

Dutrow, Barbara

2008-01-01

Our research evaluates the hypothesis that feedback amongst thermal-chemical-mechanical processes operative in fluid-rock systems alters the fluid flow dynamics of the system which, in turn, affects chemical transport and temporal and spatial scales of equilibria, thus impacting the resultant mineral textural development of rocks. Our methods include computational experimentation and detailed analyses of fluid-infiltrated rocks from well-characterized terranes. This work focuses on metamorphic rocks and hydrothermal systems where minerals and their textures are utilized to evaluate pressure (P), temperature (T), and time (t) paths in the evolution of mountain belts and ore deposits, and to interpret tectonic events and the timing of these events. Our work on coupled processes also extends to other areas where subsurface flow and transport in porous media have consequences such as oil and gas movement, geothermal system development, transport of contaminants, nuclear waste disposal, and other systems rich in fluid-rock reactions. Fluid-rock systems are widespread in the geologic record. Correctly deciphering the products resulting from such systems is important to interpreting a number of geologic phenomena. These systems are characterized by complex interactions involving time-dependent, non-linear processes in heterogeneous materials. While many of these interactions have been studied in isolation, they are more appropriately analyzed in the context of a system with feedback. When one process impacts another process, time and space scales as well as the overall outcome of the interaction can be dramatically altered. Our goals to test this hypothesis are: to develop and incorporate algorithms into our 3D heat and mass transport code to allow the effects of feedback to be investigated numerically, to analyze fluid infiltrated rocks from a variety of terranes at differing P-T conditions, to identify subtle features of the infiltration of fluids and/or feedback, and

Analytical Methods for Chemical and Sensory Characterization of Scent-Markings in Large Wild Mammals: A Review

Directory of Open Access Journals (Sweden)

Simone B. Soso

2014-03-01

Full Text Available In conjoining the disciplines of “ethology” and “chemistry” the field of “Ethochemistry” has been instituted. Ethochemistry is an effective tool in conservation efforts of endangered species and the understanding of behavioral patterns across all species. Chemical constituents of scent-markings have an important, yet poorly understood function in territoriality, reproduction, dominance, and impact on evolutionary biology, especially in large mammals. Particular attention has recently been focused on scent-marking analysis of great cats (Kalahari leopards (Panthera pardus, puma (Puma concolor snow leopard (Panthera uncia, African lions (Panthera leo, cheetahs (Acinonyx jubatus, and tigers (Panthera tigris for the purpose of conservation. Sensory analyses of scent-markings could address knowledge gaps in ethochemistry. The objective of this review is to summarize the current state-of-the art of both the chemical and sensory analyses of scent-markings in wild mammals. Specific focus is placed on sampling and sample preparation, chemical analysis, sensory analysis, and simultaneous chemical and sensory analyses. Constituents of exocrine and endocrine secretions have been most commonly studied with chromatography-based analytical separations. Odor analysis of scent-markings provides an insight into the animal’s sensory perception. A limited number of articles have been published in the area of sensory characterization of scent marks. Simultaneous chemical and sensory analyses with chromatography-olfactometry hyphenation could potentially aid conservation efforts by linking perceived odor, compounds responsible for odor, and resulting behavior.

PREMATH: a Precious-Material Holdup Estimator for unit operations and chemical processes

International Nuclear Information System (INIS)

Krichinsky, A.M.; Bruns, D.D.

1982-01-01

A computer program, PREMATH (Precious Material Holdup Estimator), has been developed to permit inventory estimation in vessels involved in unit operations and chemical processes. This program has been implemented in an operating nuclear fuel processing plant. PREMATH's purpose is to provide steady-state composition estimates for material residing in process vessels until representative samples can be obtained and chemical analyses can be performed. Since these compositions are used for inventory estimation, the results are determined for and cataloged in container-oriented files. The estimated compositions represent material collected in applicable vessels - including consideration for material previously acknowledged in these vessels. The program utilizes process measurements and simple material balance models to estimate material holdups and distribution within unit operations. During simulated run testing, PREMATH-estimated inventories typically produced material balances within 7% of the associated measured material balances for uranium and within 16% of the associated, measured material balances for thorium (a less valuable material than uranium) during steady-state process operation

NUMATH: a nuclear-material-holdup estimator for unit operations and chemical processes

International Nuclear Information System (INIS)

Krichinsky, A.M.

1981-01-01

A computer program, NUMATH (Nuclear Material Holdup Estimator), has been developed to permit inventory estimation in vessels involved in unit operations and chemical processes. This program has been implemented in an operating nuclear fuel processing plant. NUMATH's purpose is to provide steady-state composition estimates for material residing in process vessels until representative samples can be obtained and chemical analyses can be performed. Since these compositions are used for inventory estimation, the results are determined for and cataloged in container-oriented files. The estimated compositions represent material collected in applicable vessels-including consideration for material previously acknowledged in these vessels. The program utilizes process measurements and simple material balance models to estimate material holdups and distribution within unit operations. During simulated run testing, NUMATH-estimated inventories typically produced material balances within 7% of the associated measured material balances for uranium and within 16% of the associated, measured material balance for thorium during steady-state process operation

Chemical and mineralogical characterization of the bentonite buffer for the acceptance control procedure in a KBS-3 repository

Energy Technology Data Exchange (ETDEWEB)

Karnland, Ola (Clay Technology AB, Lund (Sweden))

2010-09-15

The present report concerns the chemical and mineralogical characterization of potential buffer materials. A short mineralogical description of bentonite and montmorillonite is given. The report defines, and exemplifies analyses and tests planned for the acceptance control of the bulk material concerning chemical composition, mineralogical composition, original exchangeable cations, cation exchange capacity (CEC), grain density, specific surface area, granule size, water content. In addition, analyses of the clay fraction, i.e. material with a grain size smaller than 2 mum, are described with respect to chemical composition including layer charge, layer charge distribution and cation exchange capacity (CEC). Results from the report by /Karnland et al. 2006/ concerning the two reference bentonites MX-80 and IBECO RWC are used to illustrate the accuracy and precision of the analyses. For each type of analyses the purpose, technique and, in relevant cases, also limits are discussed briefly. An empirical model for determining swelling pressure is presented and used for the quantification of the expected sealing properties given the limits concerning buffer density and montmorillonite content. For the reference bentonites MX-80, the stipulated montmorillonite content interval from 0.75 to 0.9 gives a pressure interval from 8 to 11 MPa at the nominal saturated density 2,000 kg/m3. The stipulated saturated density interval from 1,950 to 2,050 kg/m3 gives a pressure range from 6 to 15 MPa at the measured montmorillonite content of 83% by weight. The combined effects of the stipulated montmorillonite content interval and saturated density interval lead to a pressure range from 5 to 17 MPa. If the increasing effect of accessory minerals, which is proposed by the model, is not taken into account then the combined pressure range is 3 to 14 MPa

Rapid chemical analysis of allanite

International Nuclear Information System (INIS)

Nishiyama, Goro; Hayashi, Hiroshi

1981-01-01

Rapid chemical analysis of allanite was studied by atomic absorption spectrophotometry. Powdered sample was fused with mixture of sodium carbonate anhydrous and borax (4 : 1 weight) in platinum crucible and sample solution was prepared. SiO 2 , Fe 2 O 3 , Al 2 O 3 , MnO and rare earth metals were determined by atomic absorption spectrophotometry, CaO, MgO and Ce 2 O 3 by titration, ThO 2 by colorimetry, and La 2 O 3 by flame photometry respectively. For sample solution treated with hydrofluoric acid and sulfuric acid. Na 2 O and K 2 O were determined by atomic absorption spectrophotometry, TiO 2 and P 2 O 5 by colorimetry. Chemical analyses for four samples were carried out and gave consistent results. (author)

Total CMB analysis of streaker aerosol samples by PIXE, PIGE, beta- and optical-absorption analyses

International Nuclear Information System (INIS)

Annegarn, H.J.; Przybylowicz, W.J.

1993-01-01

Multielemental analyses of aerosol samples are widely used in air pollution receptor modelling. Specifically, the chemical mass balance (CMB) model has become a powerful tool in urban air quality studies. Input data required for the CMB includes not only the traditional X-ray fluorescence (and hence PIXE) detected elements, but also total mass, organic and inorganic carbon, and other light elements including Mg, Na and F. The circular streaker sampler, in combination with PIXE analysis, has developed into a powerful tool for obtaining time-resolved, multielemental aerosol data. However, application in CMB modelling has been limited by the absence of total mass and complementary light element data. This study reports on progress in using techniques complementary to PIXE to obtain additional data from circular streaker samples, maintaining the nondestructive, instrumental approach inherent in PIXE: Beta-gauging using a 147 Pm source for total mass; optical absorption for inorganic carbon; and PIGE to measure the lighter elements. (orig.)

Method of chemical analysis of silicate rocks (1962); Methode d'analyse chimique des roches silicatees (1962)

Energy Technology Data Exchange (ETDEWEB)

Pouget, R [Commissariat a l' Energie Atomique, Fontenay-aux-Roses (France). Centre d' Etudes Nucleaires

1962-07-01

A rapid method of analysis for the physical and chemical determination of the major constituents of silicate rocks is described. Water losses at 100 deg. C and losses of volatile elements at 1000 deg. C are estimated after staying in oven for these temperatures, or by mean of a thermo-balance. The determination of silica is made by a double insolubilization with hydrochloric acid on attack solution with sodium carbonate; total iron and aluminium, both with calcium and magnesium, after ammoniacal precipitation of Fe and Al, are determined on the filtration product of silica by titrimetry-photometry of their complexes with EDTA. The alkalis Na and K by flame spectrophotometry, Mn by colorimetry of the permanganate, and Ti by mean of his complex with H{sub 2}O{sub 2}, are determined on fluosulfuric attack solution. Phosphorus is determined by his complex with 'molybdenum blue' on a fluoro-nitro-boric attack solution; iron is estimated by potentiometry, with the help of bichromate on hydrofluoric solution. (author) [French] Une methode d'analyse rapide est decrite pour la determination physico-chimique des constituants principaux des roches silicatees. Les pertes en eau a 100 deg. C et en matieres volatiles a 1000 deg. C sont evaluees apres passage au four a ces temperatures, ou a l'aide d'une thermobalance. La determination de la silice se fait par double insolubilisation a l'acide chlorhydrique, sur une attaque au carbonate de sodium; le fer total et l'aluminium ainsi que le calcium et le magnesium, apres precipitation a l'ammoniaque des deux premiers metaux, sont determines sur le filtrat de la silice par titrimetrie-photometrie de leurs complexes avec l'E.D.T.A. Les alcalins sodium et potassium par spectrophotometrie de flamme, le manganese par colorimetrie du permanganate, le titane a l'aide de son complexe avec l'eau oxygenee, sont determines sur une attaque fluosulfurique. Le phosphore est determine par son complexe du 'bleu de molybdene' sur une attaque fluo

Chemical defences against herbivores

DEFF Research Database (Denmark)

Pavia, Henrik; Baumgartner, Finn; Cervin, Gunnar

2012-01-01

This chapter focuses on the recent and emerging research involving chemical defences against herbivory in aquatic primary producers. It provides an overview of plant chemical defence theories and highlights recent research on aquatic primary producers addressing a number of aspects...... of these theories, concluding with new chemical approaches to tackle the questions and suggestions for future research directions. It explains that aquatic primary producers are a taxonomically and functionally diverse group of organisms that includes macroalgae, microalgae, and vascular plants. It also states...... that despite the fact that aquatic primary producers constitute a large and diverse group of organisms that vary in their evolutionary histories, selection for chemical defences to resist or reduce grazing are commonplace across the phylogenetic boundaries....

Chemical characterisation of zircon-cadmium sulfoselenide ceramic pigments; Caracterizacion quimica de pigmentos ceramicos a base de sulfoseleniuro de cadmio

Energy Technology Data Exchange (ETDEWEB)

Gazulla Barreda, M. F.; Rodrigo Edo, M.; Blasco Roca, E.; Orduna Cordero, M.

2013-07-01

The present paper addresses the development of a methodology that allows the complete chemical characterisation of zircon cadmium sulfoselenide ceramic pigments including minor and major elements. To develop the methodology, five zircon-cadmium sulfoselenide pigments with different hues were selected, studying the different measurement process steps, from sample preparation to the optimisation of the measurement of the different components of the pigments by spectroscopic techniques (WD-XRF and elemental analysis by combustion and IR detection). The chemical characterisation method developed was validated with synthetic standards prepared from the mixture of certified reference materials and pure oxides because no certified referenced materials of this type of pigments were commercially available. The developed method can be used for a complete chemical characterization of zircon-cadmium sulfoselenide ceramic pigments with a very low uncertainty for all the elements analysed. (Author)

Cancer morbidity in British military veterans included in chemical warfare agent experiments at Porton Down: cohort study

Science.gov (United States)

Linsell, L; Brooks, C; Keegan, T J; Langdon, T; Doyle, P; Maconochie, N E S; Fletcher, T; Nieuwenhuijsen, M J; Beral, V

2009-01-01

Objective To determine cancer morbidity in members of the armed forces who took part in tests of chemical warfare agents from 1941 to 1989. Design Historical cohort study, with cohort members followed up to December 2004. Data source Archive of UK government research facility at Porton Down, UK military personnel records, and national death and cancer records. Participants All veterans included in the cohort study of mortality, excluding those known to have died or been lost to follow-up before 1 January 1971 when the UK cancer registration system commenced: 17 013 male members of the UK armed forces who took part in tests (Porton Down veterans) and a similar group of 16 520 men who did not (non-Porton Down veterans). Main outcome measures Cancer morbidity in each group of veterans; rate ratios, with 95% confidence intervals, adjusted for age group and calendar period. Results 3457 cancers were reported in the Porton Down veterans compared with 3380 cancers in the non-Porton Down veterans. While overall cancer morbidity was the same in both groups (rate ratio 1.00, 95% confidence interval 0.95 to 1.05), Porton Down veterans had higher rates of ill defined malignant neoplasms (1.12, 1.02 to 1.22), in situ neoplasms (1.45, 1.06 to 2.00), and those of uncertain or unknown behaviour (1.32, 1.01 to 1.73). Conclusion Overall cancer morbidity in Porton Down veterans was no different from that in non-Porton Down veterans. PMID:19318700

Consequence and Resilience Modeling for Chemical Supply Chains

Science.gov (United States)

Stamber, Kevin L.; Vugrin, Eric D.; Ehlen, Mark A.; Sun, Amy C.; Warren, Drake E.; Welk, Margaret E.

2011-01-01

The U.S. chemical sector produces more than 70,000 chemicals that are essential material inputs to critical infrastructure systems, such as the energy, public health, and food and agriculture sectors. Disruptions to the chemical sector can potentially cascade to other dependent sectors, resulting in serious national consequences. To address this concern, the U.S. Department of Homeland Security (DHS) tasked Sandia National Laboratories to develop a predictive consequence modeling and simulation capability for global chemical supply chains. This paper describes that capability , which includes a dynamic supply chain simulation platform called N_ABLE(tm). The paper also presents results from a case study that simulates the consequences of a Gulf Coast hurricane on selected segments of the U.S. chemical sector. The case study identified consequences that include impacted chemical facilities, cascading impacts to other parts of the chemical sector. and estimates of the lengths of chemical shortages and recovery . Overall. these simulation results can DHS prepare for and respond to actual disruptions.

Thermal properties of graphite oxide, thermally reduced graphene and chemically reduced graphene

Science.gov (United States)

Jankovský, Ondřej; Sedmidubský, David; Lojka, Michal; Sofer, Zdeněk

2017-07-01

We compared thermal behavior and other properties of graphite oxide, thermally reduced graphene and chemically reduced graphene. Graphite was oxidized according to the Hofmann method using potassium chlorate as oxidizing agent in strongly acidic environment. In the next step, the formed graphite oxide was chemically or thermally reduced yielding graphene. The mechanism of thermal reduction was studied using STA-MS. Graphite oxide and both thermally and chemically reduced graphenes were analysed by SEM, EDS, elemental combustion analysis, XPS, Raman spectroscopy, XRD and BET. These findings will help for the large scale production of graphene with appropriate chemical composition.

Advanced Chemical Propulsion

Science.gov (United States)

Bai, S. Don

2000-01-01

Design, propellant selection, and launch assistance for advanced chemical propulsion system is discussed. Topics discussed include: rocket design, advance fuel and high energy density materials, launch assist, and criteria for fuel selection.

Particle-based modeling of heterogeneous chemical kinetics including mass transfer.

Science.gov (United States)

Sengar, A; Kuipers, J A M; van Santen, Rutger A; Padding, J T

2017-08-01

Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

Particle-based modeling of heterogeneous chemical kinetics including mass transfer

Science.gov (United States)

Sengar, A.; Kuipers, J. A. M.; van Santen, Rutger A.; Padding, J. T.

2017-08-01

Connecting the macroscopic world of continuous fields to the microscopic world of discrete molecular events is important for understanding several phenomena occurring at physical boundaries of systems. An important example is heterogeneous catalysis, where reactions take place at active surfaces, but the effective reaction rates are determined by transport limitations in the bulk fluid and reaction limitations on the catalyst surface. In this work we study the macro-micro connection in a model heterogeneous catalytic reactor by means of stochastic rotation dynamics. The model is able to resolve the convective and diffusive interplay between participating species, while including adsorption, desorption, and reaction processes on the catalytic surface. Here we apply the simulation methodology to a simple straight microchannel with a catalytic strip. Dimensionless Damkohler numbers are used to comment on the spatial concentration profiles of reactants and products near the catalyst strip and in the bulk. We end the discussion with an outlook on more complicated geometries and increasingly complex reactions.

New airtight transfer box for SEM experiments: Application to lithium and sodium metals observation and analyses.

Science.gov (United States)

Stephant, Nicolas; Grissa, Rabeb; Guillou, Fanch; Bretaudeau, Mickaël; Borjon-Piron, Yann; Guillet, Jacques; Moreau, Philippe

2018-04-18

The surface of some materials reacts very quickly on contact with air, either because it is oxidized or because it gets humidity from the air. For the sake of original surface observation by scanning electron microscopy (SEM), we conceived an airtight transfer box to keep the samples under vacuum from the place of manufacturing to the SEM chamber. This object is designed to fit in all the models of SEM including those provided with an airlock chamber. The design is voluntarily simplified to allow the manufacturing of the object by a standard mechanical workshop. The transfer box can be easily opened by gravity inside the SEM and allows the preservation of the best vacuum inside, before opening. SEM images and energy dispersive spectroscopy (EDX) analyses of metallic lithium and sodium samples are presented prior and after exposure to the air. X-ray Photoelectron Spectroscopy (XPS) analyses of all samples are also discussed in order to investigate the chemical environments of the detected elements. Copyright © 2018 Elsevier Ltd. All rights reserved.

Thermal and thermomechanical analyses of WIPP [Waste Isolation Pilot Plant] shaft seals: Topical report RSI-0324

International Nuclear Information System (INIS)

Van Sambeek, L.L.

1987-10-01

Thermal and thermomechanical analyses provided information on the behavior and stability of concrete seals emplaced in a circular shaft. The two types of concrete considered were an expansive salt-saturated concrete for seals located in rock salt or other rock and an expansive freshwater concrete for seals located in nonsalt rock. Thermal analyses determined the temperature rise in the concrete and surrounding rock as a result of the exothermic hydration of the cement in the concretes. The thermomechanical analyses considered time-dependent elastic modulus, thermoelastic expansion, time-dependent chemically induced expansion, and creep of the concrete; thermoelastic behavior of the nonsalt rocks; and thermoelastic and creep behavior of the rock salt. Supplementary analyses determined the effects of pressure loading on a face of the seal as might result from a static brine head or the swelling of a bentonite backfill; the influence of using a reduced elastic modulus for the rock salt; and the effect of eliminating the chemical expansivity of the concrete. Results of interest were the development of radial stress in the seal, the magnitudes of tensile and shear stresses induced in the seal and rock, and the effect of bonding or lack of bonding between the seal and the surrounding rock. The chemical expansivity of the concrete was shown to be important for the development of radial stresses in the seal and at the contact between the seal and the surrounding rock. The shear stresses induced in the seal by the swelling pressure of bentonite become a concern if the radial stresses are not developed. 20 refs., 58 figs., 3 tabs

Inferring the origin of rare fruit distillates from compositional data using multivariate statistical analyses and the identification of new flavour constituents.

Science.gov (United States)

Mihajilov-Krstev, Tatjana M; Denić, Marija S; Zlatković, Bojan K; Stankov-Jovanović, Vesna P; Mitić, Violeta D; Stojanović, Gordana S; Radulović, Niko S

2015-04-01

In Serbia, delicatessen fruit alcoholic drinks are produced from autochthonous fruit-bearing species such as cornelian cherry, blackberry, elderberry, wild strawberry, European wild apple, European blueberry and blackthorn fruits. There are no chemical data on many of these and herein we analysed volatile minor constituents of these rare fruit distillates. Our second goal was to determine possible chemical markers of these distillates through a statistical/multivariate treatment of the herein obtained and previously reported data. Detailed chemical analyses revealed a complex volatile profile of all studied fruit distillates with 371 identified compounds. A number of constituents were recognised as marker compounds for a particular distillate. Moreover, 33 of them represent newly detected flavour constituents in alcoholic beverages or, in general, in foodstuffs. With the aid of multivariate analyses, these volatile profiles were successfully exploited to infer the origin of raw materials used in the production of these spirits. It was also shown that all fruit distillates possessed weak antimicrobial properties. It seems that the aroma of these highly esteemed wild-fruit spirits depends on the subtle balance of various minor volatile compounds, whereby some of them are specific to a certain type of fruit distillate and enable their mutual distinction. © 2014 Society of Chemical Industry.

ERDA's Chemical Energy Storage Program

Science.gov (United States)

Swisher, J. H.; Kelley, J. H.

1977-01-01

The Chemical Energy Storage Program is described with emphasis on hydrogen storage. Storage techniques considered include pressurized hydrogen gas storage, cryogenic liquid hydrogen storage, storage in hydride compounds, and aromatic-alicyclic hydrogen storage. Some uses of energy storage are suggested. Information on hydrogen production and hydrogen use is also presented. Applications of hydrogen energy systems include storage of hydrogen for utilities load leveling, industrial marketing of hydrogen both as a chemical and as a fuel, natural gas supplementation, vehicular applications, and direct substitution for natural gas.

Physico-chemical composition of unripe (green) plantain and ...

African Journals Online (AJOL)

Post harvest characteristics are important selection criteria in the genetic improvement of starchy staple food crops. This study aimed at determining the proximate chemical constituents of thirteen clones of new plantain and banana hybrids at harvest. Flour was produced and analysed for starch and sugar contents. The pulp ...

Review of decontamination technologies for chemical counter-terrorism

Energy Technology Data Exchange (ETDEWEB)

Volchek, K.; Boudreau, L.; Hornof, M. [SAIC Canada, Ottawa, ON (Canada); Fingas, M.F.; Gamble, R.L. [Environment Canada, Ottawa, ON (Canada). Emergencies Science and Technology Div]|[Environment Canada, Ottawa, ON (Canada). River Road Environmental Technology Centre

2004-07-01

The two categories of chemical agents that could be used in acts of chemical terrorism are conventional chemical warfare agents and commercial toxic chemicals. Industrial chemicals are easier to access than warfare agents, and must therefore be considered when evaluating decontamination techniques. This study involved a search of public-domain documents to identify decontamination technologies including: physical/mechanical treatment or removal; chemical treatment; and, biological methods including natural degradation and attenuation. The technologies were analyzed with reference to their effectiveness for specific groups of chemical agents, state of development, availability and costs. Results indicate that there are many decontamination methods available, both developed and under development, that work effectively for most agents. The two most common decontamination methods are oxidation and alkali hydrolysis followed by dehalogenation. Technology limitations and gaps were also identified, suggesting a need for more research to further the development of promising processes. 31 refs., 2 tabs.

40 CFR 720.45 - Information that must be included in the notice form.

Science.gov (United States)

2010-07-01

... manufactured, processed, or used. (2) A process description of each manufacture, processing, and use operation which includes a diagram of the major unit operations and chemical conversions, the identity and entry... composition that can be represented by a specific, complete chemical structure diagram (a Class 1 substance...

Valorisation of chicken feathers: Characterisation of chemical properties.

Science.gov (United States)

Tesfaye, Tamrat; Sithole, Bruce; Ramjugernath, Deresh; Chunilall, Viren

2017-10-01

The characterisation of the chemical properties of the whole chicken feather and its fractions (barb and rachis), was undertaken to identify opportunities for valorizing this waste product. The authors have described the physical, morphological, mechanical, electrical and thermal properties of the chicken feathers and related them to potential valorisation routes of the waste. However, identification of their chemical properties is necessary to complete a comprehensive description of chicken feather fractions. Hence, the chicken feathers were thoroughly characterised by proximate and ultimate analyses, elemental composition, spectroscopic analyses, durability in different solvents, burning test, and hydrophobicity. The proximate analysis of chicken feathers revealed the following compositions: crude lipid (0.83%), crude fibre (2.15%), crude protein (82.36%), ash (1.49%), NFE (1.02%) and moisture content (12.33%) whereas the ultimate analyses showed: carbon (64.47%), nitrogen (10.41%), oxygen (22.34%), and sulphur (2.64%). FTIR analysis revealed that the chicken feather fractions contain amide and carboxylic groups indicative of proteinious functional groups; XRD showed a crystallinity index of 22. Durability and burning tests confirmed that feathers behaved similarly to animal fibre. This reveals that chicken feather can be a valuable raw material in textile, plastic, cosmetics, pharmaceuticals, biomedical and bioenergy industries. Copyright © 2017 Elsevier Ltd. All rights reserved.

Physical, microscopic and chemical characterisation of industrial rye and wheat brans from the Nordic countries

DEFF Research Database (Denmark)

Kamal-Eldin, A; Lærke, Helle Nygaard; Bach Knudsen, Knud Erik

2009-01-01

, compared to wheat bran, regarding structure and content of nutrients as well as a number of presumably bioactive compounds. Design: Six different rye brans from Sweden, Denmark and Finland were analysed and compared with two wheat brans regarding colour, particle size distribution, microscopic structures...... and chemical composition including proximal components, vitamins, minerals and bioactive compounds. Results: Rye brans were generally greener in colour and smaller in particle size than wheat brans. The rye brans varied considerably in their starch content (13.2-28.3%), which reflected variable inclusion...

Computer program for calculation of complex chemical equilibrium compositions and applications. Part 1: Analysis

Science.gov (United States)

Gordon, Sanford; Mcbride, Bonnie J.

1994-01-01

This report presents the latest in a number of versions of chemical equilibrium and applications programs developed at the NASA Lewis Research Center over more than 40 years. These programs have changed over the years to include additional features and improved calculation techniques and to take advantage of constantly improving computer capabilities. The minimization-of-free-energy approach to chemical equilibrium calculations has been used in all versions of the program since 1967. The two principal purposes of this report are presented in two parts. The first purpose, which is accomplished here in part 1, is to present in detail a number of topics of general interest in complex equilibrium calculations. These topics include mathematical analyses and techniques for obtaining chemical equilibrium; formulas for obtaining thermodynamic and transport mixture properties and thermodynamic derivatives; criteria for inclusion of condensed phases; calculations at a triple point; inclusion of ionized species; and various applications, such as constant-pressure or constant-volume combustion, rocket performance based on either a finite- or infinite-chamber-area model, shock wave calculations, and Chapman-Jouguet detonations. The second purpose of this report, to facilitate the use of the computer code, is accomplished in part 2, entitled 'Users Manual and Program Description'. Various aspects of the computer code are discussed, and a number of examples are given to illustrate its versatility.

Quality and completeness of risk analyses. Vol. 1

International Nuclear Information System (INIS)

Taylor, J.R.

1992-06-01

The program described was started in 1974, at Risoe National Laboratory. The motivation was criticism then being directed at the Reactor Safety Study WASH 1400, and the view that if risk analysis were to have a future as a scientific study, then its procedures would need to be verified. The material described is a record of a prolonged set of experiments and experiences and this second edition of the report includes an update of the research to cover a study of 35 risk analyses reviewed and checked between 1988 and 1992. A survey is presented of the ways in which incompleteness, lacunae, and oversights arise in risk analysis. Areas were detailed knowledge of disturbance causes and consequences need to be known are alarm priority setting, suppression of nuisance alarms and status annunciation signals, advanced shut down system design and runback systems, alarm and disturbance analysis, automatic plant supervision, disturbance diagnosis and testing support, and monitoring of safe operation margins. Despite improvements in risk analysis technique, in safety management, and in safety design, there will always be problems of ignorance, of material properties, of chemical reactions, of behavioural patterns and safety decision making, which leave plants vulnerable and hazardous. (AB) (24 refs.)

Finite strain analyses of deformations in polymer specimens

DEFF Research Database (Denmark)

Tvergaard, Viggo

2016-01-01

Analyses of the stress and strain state in test specimens or structural components made of polymer are discussed. This includes the Izod impact test, based on full 3D transient analyses. Also a long thin polymer tube under internal pressure has been studied, where instabilities develop, such as b...

Fatty acid composition and its association with chemical and sensory analysis of boar taint.

Science.gov (United States)

Liu, Xiaoye; Trautmann, Johanna; Wigger, Ruth; Zhou, Guanghong; Mörlein, Daniel

2017-09-15

A certain level of disagreement between the chemical analysis of androstenone and skatole and the human perception of boar taint has been found in many studies. Here we analyze whether the fatty acid composition can explain such inconsistency between sensory evaluation and chemical analysis of boar taint compounds. Therefore, back fat samples (n=143) were selected according to their sensory evaluation by a 10-person sensory panel, and the chemical analysis (stable isotope dilution analysis with headspace solid-phase microextraction and gas chromatography-mass spectrometry) of androstenone and skatole. Subsequently a quantification of fatty acids using gas chromatography-flame ionization detection was conducted. The correlation analyses revealed that several fatty acids are significantly correlated with androstenone, skatole, and the sensory rating. However, multivariate analyses (principal component analysis) revealed no explanation of the fatty acid composition with respect to the (dis-)agreement between sensory and chemical analysis. Copyright © 2017 Elsevier Ltd. All rights reserved.

First experimental observations on melting and chemical modification of volcanic ash during lightning interaction.

Science.gov (United States)

Mueller, S P; Helo, C; Keller, F; Taddeucci, J; Castro, J M

2018-01-23

Electrification in volcanic ash plumes often leads to syn-eruptive lightning discharges. High temperatures in and around lightning plasma channels have the potential to chemically alter, re-melt, and possibly volatilize ash fragments in the eruption cloud. In this study, we experimentally simulate temperature conditions of volcanic lightning in the laboratory, and systematically investigate the effects of rapid melting on the morphology and chemical composition of ash. Samples of different size and composition are ejected towards an artificially generated electrical arc. Post-experiment ash morphologies include fully melted spheres, partially melted particles, agglomerates, and vesiculated particles. High-speed imaging reveals various processes occurring during the short lightning-ash interactions, such as particle melting and rounding, foaming, and explosive particle fragmentation. Chemical analyses of the flash-melted particles reveal considerable bulk loss of Cl, S, P and Na through thermal vaporization. Element distribution patterns suggest convection as a key process of element transport from the interior of the melt droplet to rim where volatiles are lost. Modeling the degree of sodium loss delivers maximum melt temperatures between 3290 and 3490 K. Our results imply that natural lighting strikes may be an important agent of syn-eruptive morphological and chemical processing of volcanic ash.

Methodological Quality Assessment of Meta-analyses in Endodontics.

Science.gov (United States)

Kattan, Sereen; Lee, Su-Min; Kohli, Meetu R; Setzer, Frank C; Karabucak, Bekir

2018-01-01

The objectives of this review were to assess the methodological quality of published meta-analyses related to endodontics using the assessment of multiple systematic reviews (AMSTAR) tool and to provide a follow-up to previously published reviews. Three electronic databases were searched for eligible studies according to the inclusion and exclusion criteria: Embase via Ovid, The Cochrane Library, and Scopus. The electronic search was amended by a hand search of 6 dental journals (International Endodontic Journal; Journal of Endodontics; Australian Endodontic Journal; Oral Surgery, Oral Medicine, Oral Pathology, Oral Radiology; Endodontics and Dental Traumatology; and Journal of Dental Research). The searches were conducted to include articles published after July 2009, and the deadline for inclusion of the meta-analyses was November 30, 2016. The AMSTAR assessment tool was used to evaluate the methodological quality of all included studies. A total of 36 reports of meta-analyses were included. The overall quality of the meta-analyses reports was found to be medium, with an estimated mean overall AMSTAR score of 7.25 (95% confidence interval, 6.59-7.90). The most poorly assessed areas were providing an a priori design, the assessment of the status of publication, and publication bias. In recent publications in the field of endodontics, the overall quality of the reported meta-analyses is medium according to AMSTAR. Copyright © 2017 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Supra-molecular structure and chemical reactivity of cellulose I studied using CP/MAS (sup)13 C-NMR

CSIR Research Space (South Africa)

Chunilall, Viren

2013-08-01

Full Text Available There are a few traditional methods of analysing the chemical properties of cellulose I. Some of these methods include the Permanganate number determination, which is used to obtain the lignin content of the pulp [12]. The acid insoluble lignin content... – Fundamental Aspects 88 [10] Fengel D, Wegener G. Wood Chemistry, Ultrastructure, Reactions, Walter de Gruyter; 1984. [11] Uhlmann T. Ullmann's encyclopedia of industrial chemistry. Paper and Pulp. 1991; 18 (A). [12] Permanganate number of pulp, Tappi T...

A Source Book for Teaching Chemical Oceanography.

Science.gov (United States)

Loder, Theodore C.; Glibert, Patricia M.

Chemical oceanography or marine chemistry are taught in many colleges and universities. This publication provides sources for instructors of such courses. The first section of this report is a detailed composite outline of a course in chemical oceanography. It includes fundamental topics taught in many chemical oceanography classes. The outline…

Chemical process and plant design bibliography 1959-1989

International Nuclear Information System (INIS)

Ray, M.S.

1991-01-01

This book is concerned specifically with chemical process in formation and plant equipment design data. It is a source for chemical engineers, students and academics involved in process and design evaluation. Over 500 chemical categories are included, from Acetaldehyde to zirconium Dioxide, with cross-referencing within the book to appropriate associated chemicals

Chemical characterization of nuclear materials: recent trends

International Nuclear Information System (INIS)

Prakash, Amrit; Nandi, C.; Patil, A.B.; Khan, K.B.

2013-01-01

Analytical chemistry plays a very important role for nuclear fuel activities be it fuel fabrication, waste management or reprocessing. Nuclear fuels are selected based on the type of reactor. The nuclear fuel has to conform to stringent chemical specifications like boron, cadmium, rare earths, hydrogen, oxygen to metal ratio, total gas, heavy metal content, chlorine and fluorine etc. Selection of technique is very important to evaluate the true specification. This is important particularly when the analyses have to perform inside leak tight enclosure. The present paper describes the details of advanced analytical techniques being developed and used in chemical characterization of nuclear materials specially fuels during their fabrication. Nuclear fuels comprise of fuels based on UO 2 , PUO 2 , ThO 2 and combination of (U+Pu)O 2 , (Th+U)O 2 , (Th+Pu)O 2 , (U+Pu)C, (U+Pu)N etc depending on the type of reactors chosen Viz. Pressurized Heavy water Reactor (PHWR), Boiling Water Reactor (BWR), Fast Breeder Test Reactor and Prototype Fast Breeder Reactor (PFBR). Chemical characterization of these fuels is very important for performance of fuel in the reactor. It provides means to ascertain that the quality of the fabricated fuel conforms to the chemical specifications for the fuel laid down by the designer. The batches of sintered/degassed pellets are subjected to comprehensive chemical quality control for trace constituents, stoichiometry and isotopic composition. Chemical Quality Control of fuel is carried out at different stages of manufacture namely feed materials, sintering, vacuum degassing and fuel element welding. Advanced analytical technique based on titrimetry, spectroscopy, thermogravimetry, XRF and XRD have largely been used for this purpose. Since they have to be handled inside special enclosures, extreme care are being taken during handling. Instruments are being developed/modified for ease of handling and maintenance. The method should be fast to reduce

Chemical characterization of atmospheric particles

International Nuclear Information System (INIS)

Adams, F.

2002-01-01

In the characterisation of complex environmental materials such as atmospheric particulate matter, analytical specificity is required to account for the many dimensions of information present in the sample. These dimensions include size, morphology, elemental composition, inorganic and organic chemical speciation, all to be performed on either single particles or on the population (or bulk sample) basis. Various techniques were developed for such measurements, including a number of bulk analysis procedures, methodologies for microscopical analysis of individual particles, and a variety of procedures for organic/inorganic chemical speciation. (author)

Coupling between solute transport and chemical reactions models

International Nuclear Information System (INIS)

Samper, J.; Ajora, C.

1993-01-01

During subsurface transport, reactive solutes are subject to a variety of hydrodynamic and chemical processes. The major hydrodynamic processes include advection and convection, dispersion and diffusion. The key chemical processes are complexation including hydrolysis and acid-base reactions, dissolution-precipitation, reduction-oxidation, adsorption and ion exchange. The combined effects of all these processes on solute transport must satisfy the principle of conservation of mass. The statement of conservation of mass for N mobile species leads to N partial differential equations. Traditional solute transport models often incorporate the effects of hydrodynamic processes rigorously but oversimplify chemical interactions among aqueous species. Sophisticated chemical equilibrium models, on the other hand, incorporate a variety of chemical processes but generally assume no-flow systems. In the past decade, coupled models accounting for complex hydrological and chemical processes, with varying degrees of sophistication, have been developed. The existing models of reactive transport employ two basic sets of equations. The transport of solutes is described by a set of partial differential equations, and the chemical processes, under the assumption of equilibrium, are described by a set of nonlinear algebraic equations. An important consideration in any approach is the choice of primary dependent variables. Most existing models cannot account for the complete set of chemical processes, cannot be easily extended to include mixed chemical equilibria and kinetics, and cannot handle practical two and three dimensional problems. The difficulties arise mainly from improper selection of the primary variables in the transport equations. (Author) 38 refs

The PROSECCO server for chemical shift predictions in ordered and disordered proteins.

Science.gov (United States)

Sanz-Hernández, Máximo; De Simone, Alfonso

2017-11-01

The chemical shifts measured in solution-state and solid-state nuclear magnetic resonance (NMR) are powerful probes of the structure and dynamics of protein molecules. The exploitation of chemical shifts requires methods to correlate these data with the protein structures and sequences. We present here an approach to calculate accurate chemical shifts in both ordered and disordered proteins using exclusively the information contained in their sequences. Our sequence-based approach, protein sequences and chemical shift correlations (PROSECCO), achieves the accuracy of the most advanced structure-based methods in the characterization of chemical shifts of folded proteins and improves the state of the art in the study of disordered proteins. Our analyses revealed fundamental insights on the structural information carried by NMR chemical shifts of structured and unstructured protein states.

Effect of reporting bias on meta-analyses of drug trials

DEFF Research Database (Denmark)

Hart, Beth; Lundh, Andreas; Bero, Lisa

2012-01-01

To investigate the effect of including unpublished trial outcome data obtained from the Food and Drug Administration (FDA) on the results of meta-analyses of drug trials.......To investigate the effect of including unpublished trial outcome data obtained from the Food and Drug Administration (FDA) on the results of meta-analyses of drug trials....

Vulnerability assessment of chemical industry facilities in South Korea based on the chemical accident history

Science.gov (United States)

Heo, S.; Lee, W. K.; Jong-Ryeul, S.; Kim, M. I.

2016-12-01

The use of chemical compounds are keep increasing because of their use in manufacturing industry. Chemical accident is growing as the consequence of the chemical use increment. Devastating damages from chemical accidents are far enough to aware people's cautious about the risk of the chemical accident. In South Korea, Gumi Hydrofluoric acid leaking accident triggered the importance of risk management and emphasized the preventing the accident over the damage reducing process after the accident occurs. Gumi accident encouraged the government data base construction relate to the chemical accident. As the result of this effort Chemical Safety-Clearing-house (CSC) have started to record the chemical accident information and damages according to the Harmful Chemical Substance Control Act (HCSC). CSC provide details information about the chemical accidents from 2002 to present. The detail informations are including title of company, address, business type, accident dates, accident types, accident chemical compounds, human damages inside of the chemical industry facilities, human damage outside of the chemical industry facilities, financial damages inside of the chemical industry facilities, and financial damages outside of the chemical industry facilities, environmental damages and response to the chemical accident. Collected the chemical accident history of South Korea from 2002 to 2015 and provide the spatial information to the each accident records based on their address. With the spatial information, compute the data on ArcGIS for the spatial-temporal analysis. The spatial-temporal information of chemical accident is organized by the chemical accident types, damages, and damages on environment and conduct the spatial proximity with local community and environmental receptors. Find the chemical accident vulnerable area of South Korea from 2002 to 2015 and add the vulnerable area of total period to examine the historically vulnerable area from the chemical accident in

Advances in chemical product design

DEFF Research Database (Denmark)

Zhang, Lei; Fung, Ka Yip; Wibowo, Christianto

2018-01-01

The nature of chemical product design problems is diverse and multidisciplinary. It involves many design issues such as project management, market study, product design, process design, and economic analysis for better organizing the product design project and achieving better products. This arti......The nature of chemical product design problems is diverse and multidisciplinary. It involves many design issues such as project management, market study, product design, process design, and economic analysis for better organizing the product design project and achieving better products....... This article provides an overview of chemical product design with a multidisciplinary hierarchical framework including all the design issues and tasks. Each of the design issues and tasks are introduced and discussed, methods and tools are summarized and compared, challenges and perspectives are presented...... to help the chemical product design researchers on finding more novel, innovative and sustainable products, by the combined effort from academia and industry to develop a systematic generic framework, and tools including product simulator, process simulator, database manager, modeling tool, and templates...

Environmental risk factors of pregnancy outcomes: a summary of recent meta-analyses of epidemiological studies.

Science.gov (United States)

Nieuwenhuijsen, Mark J; Dadvand, Payam; Grellier, James; Martinez, David; Vrijheid, Martine

2013-01-15

Various epidemiological studies have suggested associations between environmental exposures and pregnancy outcomes. Some studies have tempted to combine information from various epidemiological studies using meta-analysis. We aimed to describe the methodologies used in these recent meta-analyses of environmental exposures and pregnancy outcomes. Furthermore, we aimed to report their main findings. We conducted a bibliographic search with relevant search terms. We obtained and evaluated 16 recent meta-analyses. The number of studies included in each reported meta-analysis varied greatly, with the largest number of studies available for environmental tobacco smoke. Only a small number of the studies reported having followed meta-analysis guidelines or having used a quality rating system. Generally they tested for heterogeneity and publication bias. Publication bias did not occur frequently.The meta-analyses found statistically significant negative associations between environmental tobacco smoke and stillbirth, birth weight and any congenital anomalies; PM2.5 and preterm birth; outdoor air pollution and some congenital anomalies; indoor air pollution from solid fuel use and stillbirth and birth weight; polychlorinated biphenyls (PCB) exposure and birth weight; disinfection by-products in water and stillbirth, small for gestational age and some congenital anomalies; occupational exposure to pesticides and solvents and some congenital anomalies; and agent orange and some congenital anomalies. The number of meta-analyses of environmental exposures and pregnancy outcomes is small and they vary in methodology. They reported statistically significant associations between environmental exposures such as environmental tobacco smoke, air pollution and chemicals and pregnancy outcomes.

Environmental risk factors of pregnancy outcomes: a summary of recent meta-analyses of epidemiological studies

Directory of Open Access Journals (Sweden)

Nieuwenhuijsen Mark J

2013-01-01

Full Text Available Abstract Background Various epidemiological studies have suggested associations between environmental exposures and pregnancy outcomes. Some studies have tempted to combine information from various epidemiological studies using meta-analysis. We aimed to describe the methodologies used in these recent meta-analyses of environmental exposures and pregnancy outcomes. Furthermore, we aimed to report their main findings. Methods We conducted a bibliographic search with relevant search terms. We obtained and evaluated 16 recent meta-analyses. Results The number of studies included in each reported meta-analysis varied greatly, with the largest number of studies available for environmental tobacco smoke. Only a small number of the studies reported having followed meta-analysis guidelines or having used a quality rating system. Generally they tested for heterogeneity and publication bias. Publication bias did not occur frequently. The meta-analyses found statistically significant negative associations between environmental tobacco smoke and stillbirth, birth weight and any congenital anomalies; PM2.5 and preterm birth; outdoor air pollution and some congenital anomalies; indoor air pollution from solid fuel use and stillbirth and birth weight; polychlorinated biphenyls (PCB exposure and birth weight; disinfection by-products in water and stillbirth, small for gestational age and some congenital anomalies; occupational exposure to pesticides and solvents and some congenital anomalies; and agent orange and some congenital anomalies. Conclusions The number of meta-analyses of environmental exposures and pregnancy outcomes is small and they vary in methodology. They reported statistically significant associations between environmental exposures such as environmental tobacco smoke, air pollution and chemicals and pregnancy outcomes.

Endocrine disrupting chemicals

DEFF Research Database (Denmark)

Mandrup, Karen

chemical ethinyl estradiol, only. In studies on exposure to anti-androgens, other endpoints, such as nipple retention showed effects in male rats at dose levels where no effects were observed in male or female mammary glands orfemale external genitals. However, in studies on estrogenic chemicals, marked...... effects on prepubertal female rat mammary glands were observed at lower levels than those affecting other endpoints studied. CONCLUSION: The present findings in rats suggest that EDCs may affect mammary gland development in women and men, although risk assessment including comparison with exposure...

Revision of Import and Export Requirements for Controlled Substances, Listed Chemicals, and Tableting and Encapsulating Machines, Including Changes To Implement the International Trade Data System (ITDS); Revision of Reporting Requirements for Domestic Transactions in Listed Chemicals and Tableting and Encapsulating Machines; and Technical Amendments. Final rule.

Science.gov (United States)

2016-12-30

The Drug Enforcement Administration is updating its regulations for the import and export of tableting and encapsulating machines, controlled substances, and listed chemicals, and its regulations relating to reports required for domestic transactions in listed chemicals, gamma-hydroxybutyric acid, and tableting and encapsulating machines. In accordance with Executive Order 13563, the Drug Enforcement Administration has reviewed its import and export regulations and reporting requirements for domestic transactions in listed chemicals (and gamma-hydroxybutyric acid) and tableting and encapsulating machines, and evaluated them for clarity, consistency, continued accuracy, and effectiveness. The amendments clarify certain policies and reflect current procedures and technological advancements. The amendments also allow for the implementation, as applicable to tableting and encapsulating machines, controlled substances, and listed chemicals, of the President's Executive Order 13659 on streamlining the export/import process and requiring the government-wide utilization of the International Trade Data System (ITDS). This rule additionally contains amendments that implement recent changes to the Controlled Substances Import and Export Act (CSIEA) for reexportation of controlled substances among members of the European Economic Area made by the Improving Regulatory Transparency for New Medical Therapies Act. The rule also includes additional substantive and technical and stylistic amendments.

Computing Properties Of Chemical Mixtures At Equilibrium

Science.gov (United States)

Mcbride, B. J.; Gordon, S.

1995-01-01

Scientists and engineers need data on chemical equilibrium compositions to calculate theoretical thermodynamic properties of chemical systems. Information essential in design and analysis of such equipment as compressors, turbines, nozzles, engines, shock tubes, heat exchangers, and chemical-processing equipment. CET93 is general program that calculates chemical equilibrium compositions and properties of mixtures for any chemical system for which thermodynamic data are available. Includes thermodynamic data for more than 1,300 gaseous and condensed species and thermal-transport data for 151 gases. Written in FORTRAN 77.

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.

Physico-chemical characteristics and Heavy metal levels in Drinking ...

African Journals Online (AJOL)

Michael Horsfall

ABSTRAC: This study investigated the physico-chemical characteristics of drinking waters collected from tap, well and sachet in Sokoto metropolis in North Western Nigeria. Conductivity and pH values were determined by standard methods while elemental composition was analysed using X-ray Fluorescence spectroscopy ...

Vibrational spectroscopic analyses of unique yellow feather pigments (spheniscins) in penguins.

Science.gov (United States)

Thomas, Daniel B; McGoverin, Cushla M; McGraw, Kevin J; James, Helen F; Madden, Odile

2013-06-06

Many animals extract, synthesize and refine chemicals for colour display, where a range of compounds and structures can produce a diverse colour palette. Feather colours, for example, span the visible spectrum and mostly result from pigments in five chemical classes (carotenoids, melanins, porphyrins, psittacofulvins and metal oxides). However, the pigment that generates the yellow colour of penguin feathers appears to represent a sixth, poorly characterized class of feather pigments. This pigment class, here termed 'spheniscin', is displayed by half of the living penguin genera; the larger and richer colour displays of the pigment are highly attractive. Using Raman and mid-infrared spectroscopies, we analysed yellow feathers from two penguin species (king penguin, Aptenodytes patagonicus; macaroni penguin, Eudyptes chrysolophus) to further characterize spheniscin pigments. The Raman spectrum of spheniscin is distinct from spectra of other feather pigments and exhibits 17 distinctive spectral bands between 300 and 1700 cm(-1). Spectral bands from the yellow pigment are assigned to aromatically bound carbon atoms, and to skeletal modes in an aromatic, heterocyclic ring. It has been suggested that the penguin pigment is a pterin compound; Raman spectra from yellow penguin feathers are broadly consistent with previously reported pterin spectra, although we have not matched it to any known compound. Raman spectroscopy can provide a rapid and non-destructive method for surveying the distribution of different classes of feather pigments in the avian family tree, and for correlating the chemistry of spheniscin with compounds analysed elsewhere. We suggest that the sixth class of feather pigments may have evolved in a stem-lineage penguin and endowed modern penguins with a costly plumage trait that appears to be chemically unique among birds.

Prediction of Chemical Function: Model Development and ...

Science.gov (United States)

The United States Environmental Protection Agency’s Exposure Forecaster (ExpoCast) project is developing both statistical and mechanism-based computational models for predicting exposures to thousands of chemicals, including those in consumer products. The high-throughput (HT) screening-level exposures developed under ExpoCast can be combined with HT screening (HTS) bioactivity data for the risk-based prioritization of chemicals for further evaluation. The functional role (e.g. solvent, plasticizer, fragrance) that a chemical performs can drive both the types of products in which it is found and the concentration in which it is present and therefore impacting exposure potential. However, critical chemical use information (including functional role) is lacking for the majority of commercial chemicals for which exposure estimates are needed. A suite of machine-learning based models for classifying chemicals in terms of their likely functional roles in products based on structure were developed. This effort required collection, curation, and harmonization of publically-available data sources of chemical functional use information from government and industry bodies. Physicochemical and structure descriptor data were generated for chemicals with function data. Machine-learning classifier models for function were then built in a cross-validated manner from the descriptor/function data using the method of random forests. The models were applied to: 1) predict chemi

Modular Chemical Process Intensification: A Review.

Science.gov (United States)

Kim, Yong-Ha; Park, Lydia K; Yiacoumi, Sotira; Tsouris, Costas

2017-06-07

Modular chemical process intensification can dramatically improve energy and process efficiencies of chemical processes through enhanced mass and heat transfer, application of external force fields, enhanced driving forces, and combinations of different unit operations, such as reaction and separation, in single-process equipment. These dramatic improvements lead to several benefits such as compactness or small footprint, energy and cost savings, enhanced safety, less waste production, and higher product quality. Because of these benefits, process intensification can play a major role in industrial and manufacturing sectors, including chemical, pulp and paper, energy, critical materials, and water treatment, among others. This article provides an overview of process intensification, including definitions, principles, tools, and possible applications, with the objective to contribute to the future development and potential applications of modular chemical process intensification in industrial and manufacturing sectors. Drivers and barriers contributing to the advancement of process intensification technologies are discussed.

Changes in the chemical composition of mineralised teeth in children after antineoplastic treatment.

Science.gov (United States)

Krasuska-Sławińska, Ewa; Dembowska-Bagińska, Bożenna; Brożyna, Agnieszka; Olczak-Kowalczyk, Dorota; Czarnowska, Elżbieta; Sowińska, Agnieszka

2018-01-01

Chemotherapy, neoplasms, and their complications linked to malabsorption, malnutrition, and metabolic disorders may lead to improper tooth development and frequent severe caries in patients during/after antineoplastic treatment and to a more frequent improper tooth development in patients undergoing chemotherapy during odontogenesis. However, the causes of these abnormalities remain unknown; there are no studies on the impact of antineoplastic treatment and its complications on the chemical composition of mineralised teeth. To compare the chemical composition of mineralised teeth extracted due to complicated caries in children after chemotherapy, and of teeth extracted due to orthodontic treatment in generally healthy children. The treatment group included five teeth extracted due to complicated caries in children after antineoplastic treatment. The control group included five teeth extracted due to orthodontic treatment in generally healthy children. The chemical composition of enamel, dentine, cementum, interior of the canal, and enamel abnormalities in teeth extracted from patients after chemotherapy and in generally healthy patients were assessed with energy-dispersive X-ray spectroscopy. Results were analysed statistically. The magnesium (Mg) and zinc (Zn) mass contents in the enamel of patients after chemotherapy increased and so did the calcium (Ca) to phosphorus (P) ratio when compared to controls. Areas with abnormal enamel in patients after chemotherapy had lower concentrations of Ca and P, and higher concentrations of trace elements (Mg, Cl, and Na). The levels of the assessed elements in dentine, cementum, and inside the canal were similar in both groups of teeth.

Processing of CuInSe{sub 2}-based solar cells: Characterization of deposition processes in terms of chemical reaction analyses. Phase 2 Annual Report, 6 May 1996--5 May 1997

Energy Technology Data Exchange (ETDEWEB)

Anderson, T.

1999-10-20

This report describes research performed by the University of Florida during Phase 2 of this subcontract. First, to study CIGS, researchers adapted a contactless, nondestructive technique previously developed for measuring photogenerated excess carrier lifetimes in SOI wafers. This dual-beam optical modulation (DBOM) technique was used to investigate the differences between three alternative methods of depositing CdS (conventional chemical-bath deposition [CBD], metal-organic chemical vapor deposition [MOCVD], and sputtering). Second, a critical assessment of the Cu-In-Se thermochemical and phase diagram data using standard CALPHAD procedures is being performed. The outcome of this research will produce useful information on equilibrium vapor compositions (required annealing ambients, Sex fluxes from effusion cells), phase diagrams (conditions for melt-assisted growth), chemical potentials (driving forces for diffusion and chemical reactions), and consistent solution models (extents of solid solutions and extending phase diagrams). Third, an integrated facility to fabricate CIS PV devices was established that includes migration-enhanced epitaxy (MEE) for deposition of CIS, a rapid thermal processing furnace for absorber film formation, sputtering of ZnO, CBD or MOCVD of CdS, metallization, and pattern definition.

Temperature buffer test. Hydro-mechanical and chemical/ mineralogical characterizations

International Nuclear Information System (INIS)

Aakesson, Mattias; Olsson, Siv; Dueck, Ann; Nilsson, Ulf; Karnland, Ola; Kiviranta, Leena; Kumpulainen, Sirpa; Linden, Johan

2012-01-01

TEM), iron oxidation state (Moessbauer spectroscopy). The retention tests, the CEC-determinations, the chemical analyses by ICP, and the mineralogical analyses by XRD and FTIR were performed on bulk samples as well as on a Na-converted fine fraction ( 2+ had increased slightly, but the five component fit didn't support this observation. Hence, the increase in the amount of iron observed with chemical analyses was probably too small to be detected reliably with Mossbauer spectroscopy

Characterization of chemical interactions during chemical mechanical polishing (CMP) of copper

Science.gov (United States)

Lee, Seung-Mahn

2003-10-01

Chemical mechanical polishing (CMP) has received much attention as an unique technique to provide a wafer level planarization in semiconductor manufacturing. However, despite the extensive use of CMP, it still remains one of the least understood areas in semiconductor processing. The lack of the fundamental understanding is a significant barrier to further advancements in CMP technology. One critical aspect of metal CMP is the formation of a thin surface layer on the metal surface. The formation and removal of this layer controls all the aspects of the CMP process, including removal rate, surface finish, etc. In this dissertation, we focus on the characterization of the formation and removal of the thin surface layer on the copper surface. The formation dynamics was investigated using static and dynamic electrochemical techniques, including potentiodynamic scans and chronoamperometry. The results were validated using XPS measurements. The mechanical properties of the surface layer were investigated using nanoindentation measurements. The electrochemical investigation showed that the thickness of the surface layer is controlled by the chemicals such as an oxidizer (hydrogen peroxide), a corrosion inhibitor (benzotriazole), a complexing agent (citric acid), and their concentrations. The dynamic electrochemical measurements indicated that the initial layer formation kinetics is unaffected by the corrosion inhibitors. The passivation due to the corrosion inhibitor becomes important only on large time scales (>200 millisecond). The porosity and the density of the chemically modified surface layer can be affected by additives of other chemicals such as citric acid. An optimum density of the surface layer is required for high polishing rate while at the same time maintaining a high degree of surface finish. Nanoindentation measurements indicated that the mechanical properties of the surface layer are strongly dependent on the chemical additives in the slurry. The CMP

Testing the Control of Mineral Supply Rates on Chemical Erosion Rates in the Klamath Mountains

Science.gov (United States)

West, N.; Ferrier, K.

2016-12-01

The relationship between rates of chemical erosion and mineral supply is central to many problems in Earth science, including how tightly Earth's climate should be coupled to tectonics, how strongly nutrient supply to soils and streams depends on soil production, and how much lithology affects landscape evolution. Despite widespread interest in this relationship, there remains no consensus on how closely coupled chemical erosion rates should be to mineral supply rates. To address this, we have established a network of field sites in the Klamath Mountains along a latitudinal transect that spans an expected gradient in mineral supply rates associated with the geodynamic response to the migration of the Mendocino Triple Junction. Here, we present new measurements of regolith geochemistry and topographic analyses that will be compared with cosmogenic 10Be measurements to test hypotheses about supply-limited and kinetically-limited chemical erosion on granodioritic ridgetops. Previous studies in this area suggest a balance between rock uplift rates and basin wide erosion rates, implying the study ridgetops may have adjusted to an approximate steady state. Preliminary data are consistent with a decrease in chemical depletion fraction (CDF) with increasing ridgetop curvature. To the extent that ridgetop curvature reflects ridgetop erosion rates, this implies that chemical erosion rates at these sites are influenced by both mineral supply rates and dissolution kinetics.

Can sonography define the chemical composition of gall stones

International Nuclear Information System (INIS)

Frentzel-Beyme, B.; Faehndrich, R.; Arnan-Thiele, B.

1983-01-01

Eight sonographic patterns caused by gall stones are described. In an attempt to explain these different appearances, 62 stones were analysed chemically and physically. The chemical composition of the stones did not correlate with their sonographic pattern. Cholesterol stones cannot be recognised as such by sonography. The formation of an acoustic shadow depends largely on the position of the stone within the acoustic beam. It therefore follows that the examination must be done by keeping the focal plane of the transducer in proper relationship to the stone. (orig.) [de

Using vegetable oils and animal fats in Diesel Engines: chemical analyses and engine texts

International Nuclear Information System (INIS)

Marmino, I.; Verhelst, S.; Sierens, R.

2008-01-01

In this work, some vegetable oils (rapeseed oil, palm oil) and animal fat were tested in a Diesel engine at a range of engine spreads and torque settings, after preheating at 70 0 C. Engine performance, fuel consumption and NOx, unburnt hydrocarbons and soot emissions have been recorded. The results have been compared to those obtained with diesel fuel in the same test conditions. The oils and fats were also analyzed for their physical and chemical properties (viscosity, composition, unsaturation, heating value). NOx emissions were found to be lower for the oils than for the diesel fuel. This, combined with higher HC emissions, can probably be explained through less effective atomization due to the higher viscosity of the oils and fat. On the other hand, soot emissions were found to decrease. [it

Odor and odorous chemical emissions from dairy and swine facilities: Part 5-Simultaneous chemical and sensory analysis with Gas Chromatography - Mass Spectrometry - Olfactometry

Science.gov (United States)

Simultaneous chemical and sensory analyses using gas chromatography-mass spectrometry-olfactometry (GC-MS-O) for air samples collected at barn exhaust fans were used for quantification and ranking of odor impact of target odorous gases. Fifteen target odorous VOCs (odorants) were selected. Air sampl...

7. Eurasia Conference on Chemical Sciences (abstracts)

International Nuclear Information System (INIS)

Atta-ur-Rahman; Choudhary, M.I.

2002-01-01

The 7th Eurasia Conference on Chemical sciences (EuAs/sub 2/S-7) was held from 8-12 March, 2002 at Karachi, Pakistan. Scientists from thirty different countries had participated in this conference. Several topics from chemical world were highlighted in this conference including use of radioisotopes in different fields and specially environment which have been included here. (A.B)

The raison d'être of chemical ecology.

Science.gov (United States)

Raguso, Robert A; Agrawal, Anurag A; Douglas, Angela E; Jander, Georg; Kessler, André; Poveda, Katja; Thaler, Jennifer S

2015-03-01

Chemical ecology is a mechanistic approach to understanding the causes and consequences of species interactions, distribution, abundance, and diversity. The promise of chemical ecology stems from its potential to provide causal mechanisms that further our understanding of ecological interactions and allow us to more effectively manipulate managed systems. Founded on the notion that all organisms use endogenous hormones and chemical compounds that mediate interactions, chemical ecology has flourished over the past 50 years since its origin. In this essay we highlight the breadth of chemical ecology, from its historical focus on pheromonal communication, plant-insect interactions, and coevolution to frontier themes including community and ecosystem effects of chemically mediated species interactions. Emerging approaches including the -omics, phylogenetic ecology, the form and function of microbiomes, and network analysis, as well as emerging challenges (e.g., sustainable agriculture and public health) are guiding current growth of this field. Nonetheless, the directions and approaches we advocate for the future are grounded in classic ecological theories and hypotheses that continue to motivate our broader discipline.

Chemical reagent and process for refuse disposal

International Nuclear Information System (INIS)

Somerville, R.B.; Fan, L.T.

1989-01-01

A process for treating refuse by mixing them with a reactive chemical and a puzzolana-type material. Said chemical includes a retarding agent which modifies the viscosity and an accelerating agent. (author)

Mechanical and chemical analyses across dental porcelain fused to CP titanium or Ti6Al4V

International Nuclear Information System (INIS)

Souza, Júlio C.M.; Henriques, Bruno; Ariza, Edith; Martinelli, Antonio E.; Nascimento, Rubens M.; Silva, Filipe S.; Rocha, Luís A.; Celis, Jean-Pierre

2014-01-01

The aim of this study was to evaluate the evolution of mechanical properties and chemical variation across veneering dental porcelain fused to different titanium-based substrates. Test samples were synthesized by fusing dental feldspar-based porcelain onto commercially pure titanium grade II or Ti6Al4V alloy. Samples were cross-sectioned at angles of 10 and 90° to the interface plane. Afterwards, nanoindentation tests and Scanning Electron Microscopy (SEM) imaging coupled to an Energy Dispersive Spectroscopy (EDS) system were carried out across interfaces extending from the metal towards the porcelain area. Elemental diffusion profiles across the porcelain-to-metal interfaces were also obtained by EDS analysis. The mismatch in mechanical properties found in porcelain-to-Ti6Al4V interfaces was lower than that of porcelain-to-CP titanium. Cracking was noticed at low-thickness veneering dental porcelain regions after the nanoindentation tests of samples cross-sectioned at low angles to the interface plane. A wide reaction zone between titanium and porcelain as well as higher incidence of defects was noticed at the porcelain-to-CP titanium interfaces. This study confirmed Ti6Al4V as an improved alternative to CP-titanium as it showed to establish a better interface with the veneering dental porcelain considering the slight chemical interaction and the lower mechanical properties mismatch. The elastic modulus of porcelain-to-Ti6Al4V samples showed to be less sensitive to porcelain thickness variations. - Highlights: • This study reveals mechanical and chemical behaviors across porcelain/titanium interfaces. • Cracks were noticed after nanoindentation on thin porcelain layers. • Ti6Al4V/porcelain showed a better mechanical behavior than that at CP-Ti/porcelain

Guidelines for chemical peeling in Japan (3rd edition).

Science.gov (United States)

2012-04-01

Chemical peeling may be defined as the therapies, procedures and techniques used for the treatment of certain cutaneous diseases or conditions, and for aesthetic improvement. The procedures include the application of one or more chemical agents to the skin. Chemical peeling has been very popular in both medical and aesthetic fields. Because neither its scientific background is well understood nor a systematic approach established, medical and social problems have taken place. This prompted us to establish and distribute a standard guideline of care for chemical peeling. Previous guidelines such as the 2001 and 2004 versions included minimum standards of care such as indications, chemicals, applications, and any associated precautions, including post-peeling care. The principles in this updated version of chemical peeling are as follows: (i) chemical peeling should be performed under the strict technical control and responsibility of a physician; (ii) the physician should have sufficient knowledge of the structure and physiology of the skin and subcutaneous tissues, and understand the mechanisms of wound-healing induced by chemical peeling; (iii) the physician should be board-certified in an appropriate specialty such as dermatology; and (iv) the ultimate judgment regarding the appropriateness of any specific chemical peeling procedure must be made by the physician while considering all standard therapeutic protocols, which should be presented to each individual patient. Keeping these concepts in mind, this new version of the guidelines includes a more scientific and detailed approach from the viewpoint of evidence-based medicine. © 2011 Japanese Dermatological Association.

Radiation Dose Measurement Using Chemical Dosimeters

International Nuclear Information System (INIS)

Lee, Min Sun; Kim, Eun Hee; Kim, Yu Ri; Han, Bum Soo

2010-01-01

The radiation dose can be estimated in various ways. Dose estimates can be obtained by either experiment or theoretical analysis. In experiments, radiation impact is assessed by measuring any change caused by energy deposition to the exposed matter, in terms of energy state (physical change), chemical production (chemical change) or biological abnormality (biological change). The chemical dosimetry is based on the implication that the energy deposited to the matter can be inferred from the consequential change in chemical production. The chemical dosimetry usually works on the sample that is an aqueous solution, a biological matter, or an organic substance. In this study, we estimated absorbed doses by quantitating chemical changes in matter caused by radiation exposure. Two different chemical dosimeters, Fricke and ECB (Ethanol-Chlorobenzene) dosimeter, were compared in several features including efficacy as dose indicator and effective dose range

Low-Cost Chemical-Responsive Adhesive Sensing Chips.

Science.gov (United States)

Tan, Weirui; Zhang, Liyuan; Shen, Wei

2017-12-06

Chemical-responsive adhesive sensing chip is a new low-cost analytical platform that uses adhesive tape loaded with indicator reagents to detect or quantify the target analytes by directly sticking the tape to the samples of interest. The chemical-responsive adhesive sensing chips can be used with paper to analyze aqueous samples; they can also be used to detect and quantify solid, particulate, and powder analytes. The colorimetric indicators become immediately visible as the contact between the functionalized adhesives and target samples is made. The chemical-responsive adhesive sensing chip expands the capability of paper-based analytical devices to analyze solid, particulate, or powder materials via one-step operation. It is also a simpler alternative way, to the covalent chemical modification of paper, to eliminate indicator leaching from the dipstick-style paper sensors. Chemical-responsive adhesive chips can display analytical results in the form of colorimetric dot patterns, symbols, and texts, enabling clear understanding of assay results by even nonprofessional users. In this work, we demonstrate the analyses of heavy metal salts in silica powder matrix, heavy metal ions in water, and bovine serum albumin in an aqueous solution. The detection is one-step, specific, sensitive, and easy-to-operate.

Mechanical and chemical properties of polyvinyl alcohol modified cement mortar with silica fume used as matrix including radioactive waste

International Nuclear Information System (INIS)

Dakroury, A. M.

2007-01-01

This paper discussed the mechanical and chemical properties of polyvinyl alcohol - modified cement mortar with silica fume to assess the safety for disposal of radioactive waste. The modified cement mortars containing polyvinyl alcohol (PVA) in the presence of 10 % silica fume (SF) .The chemical reaction between polymer and cement - hydrated product were investigated by the Infrared Spectral Technology, Differential Thermal Analysis and X-ray diffraction. The leaching of 137Cs from a waste composite into a surrounding fluid has been studied .The results shown that PVA increases the strength and decreases the porosity. The increase in strength duo to the interaction of PVA with cement , may be forming some new compound that fill the pores or improve the bond between the cement . The pozzolanic reaction of the SF increases the calcium silicate hydrates in the hardening matrix composites. There is distinct change in the refinement of the pore structure in cement composites giving fewer capillary pores and more of the finer gel pores

Chemical microreactor and method thereof

Science.gov (United States)

Morse, Jeffrey D [Martinez, CA; Jankowski, Alan [Livermore, CA

2011-08-09

A method for forming a chemical microreactor includes forming at least one capillary microchannel in a substrate having at least one inlet and at least one outlet, integrating at least one heater into the chemical microreactor, interfacing the capillary microchannel with a liquid chemical reservoir at the inlet of the capillary microchannel, and interfacing the capillary microchannel with a porous membrane near the outlet of the capillary microchannel, the porous membrane being positioned beyond the outlet of the capillary microchannel, wherein the porous membrane has at least one catalyst material imbedded therein.

Image analyses in bauxitic ores: The case of the Apulian karst bauxites

Science.gov (United States)

Buccione, Roberto; Sinisi, Rosa; Mongelli, Giovanni

2015-04-01

This study concern two different karst bauxite deposits of the Apulia region (southern Italy). These deposits outcrop in the Murge and Salento areas: the Murge bauxite (upper Cretaceous) is a typical canyon-like deposit formed in a karst depression whereas the Salento bauxite (upper Eocene - Oligocene) is the result of the erosion, remobilization and transport of older bauxitic material from a relative distant area. This particular bauxite arrangement gave the name to all the same bauxite deposits which are thus called Salento-type deposits. Bauxite's texture is essentially made of sub-circular concentric aggregates, called ooids, dispersed in a pelitic matrix. The textural properties of the two bauxitic ores, as assessed by SEM-EDX, are different. In the bauxite from the canyon-like deposit the ooids/matrix ratio is higher than in the Salento-type bauxite. Furthermore the ooids in the Salento-like bauxite are usually made by a large core surrounded by a narrow, single, accretion layer, whereas the ooids from the canyon-like deposit have a smaller core surrounded by several alternating layers of Al-hematite and boehmite (Mongelli et al., 2014). In order to explore in more detail the textural features of both bauxite deposits, particle shape analyses were performed. Image analyses and the fractal dimension have been widely used in geological studies including economic geology (e.g. Turcotte, 1986; Meakin, 1991; Deng et al., 2011). The geometric properties evaluated are amounts of ooids, average ooids size, ooids rounding and the fractal dimension D, which depends on the ooids/matrix ratio. D is the slope of a plotting line obtained using a particular counting technique on each sample image. The fractal dimension is slightly lower for the Salento-type bauxites. Since the process which led to the formation of the ooids is related to an aggregation growth involving chemical fractionation (Mongelli, 2002) a correlation among these parameters and the contents of major

Some physico-chemical and biological characteristics of soil and ...

African Journals Online (AJOL)

Environmental conditions that influence biocorrosion in the Niger Delta area of Nigeria are investigated experimentally by analysing the physico-chemical and biological characteristics of four (4) soil samples and water samples taken from ten (10) selected river bodies in the region. Measured properties of the water ...

Additive mixture effects of estrogenic chemicals in human cell-based assays can be influenced by inclusion of chemicals with differing effect profiles.

Directory of Open Access Journals (Sweden)

Richard Mark Evans

Full Text Available A growing body of experimental evidence indicates that the in vitro effects of mixtures of estrogenic chemicals can be well predicted from the estrogenicity of their components by the concentration addition (CA concept. However, some studies have observed small deviations from CA. Factors affecting the presence or observation of deviations could include: the type of chemical tested; number of mixture components; mixture design; and assay choice. We designed mixture experiments that address these factors, using mixtures with high numbers of components, chemicals from diverse chemical groups, assays with different in vitro endpoints and different mixture designs and ratios. Firstly, the effects of mixtures composed of up to 17 estrogenic chemicals were examined using estrogenicity assays with reporter-gene (ERLUX and cell proliferation (ESCREEN endpoints. Two mixture designs were used: 1 a 'balanced' design with components present in proportion to a common effect concentration (e.g. an EC(10 and 2 a 'non-balanced' design with components in proportion to potential human tissue concentrations. Secondly, the individual and simultaneous ability of 16 potential modulator chemicals (each with minimal estrogenicity to influence the assay outcome produced by a reference mixture of estrogenic chemicals was examined. Test chemicals included plasticizers, phthalates, metals, PCBs, phytoestrogens, PAHs, heterocyclic amines, antioxidants, UV filters, musks, PBDEs and parabens. In all the scenarios tested, the CA concept provided a good prediction of mixture effects. Modulation studies revealed that chemicals possessing minimal estrogenicity themselves could reduce (negatively modulate the effect of a mixture of estrogenic chemicals. Whether the type of modulation we observed occurs in practice most likely depends on the chemical concentrations involved, and better information is required on likely human tissue concentrations of estrogens and of potential

Additive mixture effects of estrogenic chemicals in human cell-based assays can be influenced by inclusion of chemicals with differing effect profiles.

Science.gov (United States)

Evans, Richard Mark; Scholze, Martin; Kortenkamp, Andreas

2012-01-01

A growing body of experimental evidence indicates that the in vitro effects of mixtures of estrogenic chemicals can be well predicted from the estrogenicity of their components by the concentration addition (CA) concept. However, some studies have observed small deviations from CA. Factors affecting the presence or observation of deviations could include: the type of chemical tested; number of mixture components; mixture design; and assay choice. We designed mixture experiments that address these factors, using mixtures with high numbers of components, chemicals from diverse chemical groups, assays with different in vitro endpoints and different mixture designs and ratios. Firstly, the effects of mixtures composed of up to 17 estrogenic chemicals were examined using estrogenicity assays with reporter-gene (ERLUX) and cell proliferation (ESCREEN) endpoints. Two mixture designs were used: 1) a 'balanced' design with components present in proportion to a common effect concentration (e.g. an EC(10)) and 2) a 'non-balanced' design with components in proportion to potential human tissue concentrations. Secondly, the individual and simultaneous ability of 16 potential modulator chemicals (each with minimal estrogenicity) to influence the assay outcome produced by a reference mixture of estrogenic chemicals was examined. Test chemicals included plasticizers, phthalates, metals, PCBs, phytoestrogens, PAHs, heterocyclic amines, antioxidants, UV filters, musks, PBDEs and parabens. In all the scenarios tested, the CA concept provided a good prediction of mixture effects. Modulation studies revealed that chemicals possessing minimal estrogenicity themselves could reduce (negatively modulate) the effect of a mixture of estrogenic chemicals. Whether the type of modulation we observed occurs in practice most likely depends on the chemical concentrations involved, and better information is required on likely human tissue concentrations of estrogens and of potential modulators

Trans-generational radiation-induced chromosomal instability in the female enhances the action of chemical mutagens

International Nuclear Information System (INIS)

Camats, Nuria; Garcia, Francisca; Parrilla, Juan Jose; Calaf, Joaquim; Martin, Miguel; Caldes, Montserrat Garcia

2008-01-01

Genomic instability can be produced by ionising radiation, so-called radiation-induced genomic instability, and chemical mutagens. Radiation-induced genomic instability occurs in both germinal and somatic cells and also in the offspring of irradiated individuals, and it is characterised by genetic changes including chromosomal rearrangements. The majority of studies of trans-generational, radiation-induced genomic instability have been described in the male germ line, whereas the authors who have chosen the female as a model are scarce. The aim of this work is to find out the radiation-induced effects in the foetal offspring of X-ray-treated female rats and, at the same time, the possible impact of this radiation-induced genomic instability on the action of a chemical mutagen. In order to achieve both goals, the quantity and quality of chromosomal damage were analysed. In order to detect trans-generational genomic instability, a total of 4806 metaphases from foetal tissues from the foetal offspring of X-irradiated female rats (5 Gy, acute dose) were analysed. The study's results showed that there is radiation-induced genomic instability: the number of aberrant metaphases and the breaks per total metaphases studied increased and were found to be statistically significant (p ≤ 0.05), with regard to the control group. In order to identify how this trans-generational, radiation-induced chromosomal instability could influence the chromosomal behaviour of the offspring of irradiated rat females in front of a chemical agent (aphidicolin), a total of 2481 metaphases were studied. The observed results showed that there is an enhancement of the action of the chemical agent: chromosomal breaks per aberrant metaphases show significant differences (p ≤ 0.05) in the X-ray- and aphidicolin-treated group as regards the aphidicolin-treated group. In conclusion, our findings indicate that there is trans-generational, radiation-induced chromosomal instability in the foetal cells

Trans-generational radiation-induced chromosomal instability in the female enhances the action of chemical mutagens

Energy Technology Data Exchange (ETDEWEB)

Camats, Nuria [Institut de Biotecnologia i Biomedicina (IBB), Universitat Autonoma de Barcelona, 08193 Barcelona (Spain); Departament de Biologia Cel.lular, Fisiologia i Immunologia, Universitat Autonoma de Barcelona, 08193 Barcelona (Spain); Garcia, Francisca [Institut de Biotecnologia i Biomedicina (IBB), Universitat Autonoma de Barcelona, 08193 Barcelona (Spain); Parrilla, Juan Jose [Servicio de Ginecologia y Obstetricia, Hospital Universitario Virgen de la Arrixaca, 30120 El Palmar, Murcia (Spain); Calaf, Joaquim [Servei de Ginecologia i Obstetricia, Hospital Universitari de la Santa Creu i Sant Pau, 08025 Barcelona (Spain); Martin, Miguel [Departament de Pediatria, d' Obstetricia i Ginecologia i de Medicina Preventiva, Universitat Autonoma de Barcelona, 08193 Barcelona (Spain); Caldes, Montserrat Garcia [Institut de Biotecnologia i Biomedicina (IBB), Universitat Autonoma de Barcelona, 08193 Barcelona (Spain); Departament de Biologia Cel.lular, Fisiologia i Immunologia, Universitat Autonoma de Barcelona, 08193 Barcelona (Spain)], E-mail: Montserrat.Garcia.Caldes@uab.es

2008-04-02

Genomic instability can be produced by ionising radiation, so-called radiation-induced genomic instability, and chemical mutagens. Radiation-induced genomic instability occurs in both germinal and somatic cells and also in the offspring of irradiated individuals, and it is characterised by genetic changes including chromosomal rearrangements. The majority of studies of trans-generational, radiation-induced genomic instability have been described in the male germ line, whereas the authors who have chosen the female as a model are scarce. The aim of this work is to find out the radiation-induced effects in the foetal offspring of X-ray-treated female rats and, at the same time, the possible impact of this radiation-induced genomic instability on the action of a chemical mutagen. In order to achieve both goals, the quantity and quality of chromosomal damage were analysed. In order to detect trans-generational genomic instability, a total of 4806 metaphases from foetal tissues from the foetal offspring of X-irradiated female rats (5 Gy, acute dose) were analysed. The study's results showed that there is radiation-induced genomic instability: the number of aberrant metaphases and the breaks per total metaphases studied increased and were found to be statistically significant (p {<=} 0.05), with regard to the control group. In order to identify how this trans-generational, radiation-induced chromosomal instability could influence the chromosomal behaviour of the offspring of irradiated rat females in front of a chemical agent (aphidicolin), a total of 2481 metaphases were studied. The observed results showed that there is an enhancement of the action of the chemical agent: chromosomal breaks per aberrant metaphases show significant differences (p {<=} 0.05) in the X-ray- and aphidicolin-treated group as regards the aphidicolin-treated group. In conclusion, our findings indicate that there is trans-generational, radiation-induced chromosomal instability in the foetal

Physical and chemical characteristics of fluorinel/sodium calcine generated during 30 cm Pilot-Plant Run 17

International Nuclear Information System (INIS)

Brewer, K.N.; Kessinger, G.F.; Littleton, L.L.; Olson, A.L.

1993-07-01

The 30 centimeter (cm) pilot plant calciner Run 17, of March 9, 1987, was performed to study the calcination of fluroinel-sodium blended waste blended at the ratio 3.5:1 fluorinel to sodium, respectively. The product of the run was analyzed by a variety of analytical techniques that included X-ray powder diffraction (XRD), inductively coupled plasma spectroscopy (ICP), scanning electron microscopy (SEM), and X-ray photoelectron spectroscopy (XPS) to deduce physical and chemical characteristics. The analytical data, as well as data analyses and conclusions drawn from the data, are presented

Methodological challenges in carbohydrate analyses

Directory of Open Access Journals (Sweden)

Mary Beth Hall

2007-07-01

Full Text Available Carbohydrates can provide up to 80% of the dry matter in animal diets, yet their specific evaluation for research and diet formulation is only now becoming a focus in the animal sciences. Partitioning of dietary carbohydrates for nutritional purposes should reflect differences in digestion and fermentation characteristics and effects on animal performance. Key challenges to designating nutritionally important carbohydrate fractions include classifying the carbohydrates in terms of nutritional characteristics, and selecting analytical methods that describe the desired fraction. The relative lack of information on digestion characteristics of various carbohydrates and their interactions with other fractions in diets means that fractions will not soon be perfectly established. Developing a system of carbohydrate analysis that could be used across animal species could enhance the utility of analyses and amount of data we can obtain on dietary effects of carbohydrates. Based on quantities present in diets and apparent effects on animal performance, some nutritionally important classes of carbohydrates that may be valuable to measure include sugars, starch, fructans, insoluble fiber, and soluble fiber. Essential to selection of methods for these fractions is agreement on precisely what carbohydrates should be included in each. Each of these fractions has analyses that could potentially be used to measure them, but most of the available methods have weaknesses that must be evaluated to see if they are fatal and the assay is unusable, or if the assay still may be made workable. Factors we must consider as we seek to analyze carbohydrates to describe diets: Does the assay accurately measure the desired fraction? Is the assay for research, regulatory, or field use (affects considerations of acceptable costs and throughput? What are acceptable accuracy and variability of measures? Is the assay robust (enhances accuracy of values? For some carbohydrates, we

Chemical Sciences Division: Annual report 1992

International Nuclear Information System (INIS)

1993-10-01

The Chemical Sciences Division (CSD) is one of twelve research Divisions of the Lawrence Berkeley Laboratory, a Department of Energy National Laboratory. The CSD is composed of individual groups and research programs that are organized into five scientific areas: Chemical Physics, Inorganic/Organometallic Chemistry, Actinide Chemistry, Atomic Physics, and Physical Chemistry. This report describes progress by the CSD for 1992. Also included are remarks by the Division Director, a description of work for others (United States Office of Naval Research), and appendices of the Division personnel and an index of investigators. Research reports are grouped as Fundamental Interactions (Photochemical and Radiation Sciences, Chemical Physics, Atomic Physics) or Processes and Techniques (Chemical Energy, Heavy-Element Chemistry, and Chemical Engineering Sciences)

Walking- and cycling track networks in Norwegian cities : cost-benefit analyses including health effects and external costs of road traffic : summary

Science.gov (United States)

2002-04-01

Cost- benefit analyses of walking- and cycling track net-works in three Norwegian cities are presented in this study. A project group working with a National Cycling Strategy in Norway initialised the study. Motivation for starting the study is the P...

Combined chemical shift changes and amino acid specific chemical shift mapping of protein-protein interactions

Energy Technology Data Exchange (ETDEWEB)

Schumann, Frank H.; Riepl, Hubert [University of Regensburg, Institute of Biophysics and Physical Biochemistry (Germany); Maurer, Till [Boehringer Ingelheim Pharma GmbH and Co. KG, Analytical Sciences Department (Germany); Gronwald, Wolfram [University of Regensburg, Institute of Biophysics and Physical Biochemistry (Germany); Neidig, Klaus-Peter [Bruker BioSpin GmbH, Software Department (Germany); Kalbitzer, Hans Robert [University of Regensburg, Institute of Biophysics and Physical Biochemistry (Germany)], E-mail: hans-robert.kalbitzer@biologie.uni-regensburg.de

2007-12-15

Protein-protein interactions are often studied by chemical shift mapping using solution NMR spectroscopy. When heteronuclear data are available the interaction interface is usually predicted by combining the chemical shift changes of different nuclei to a single quantity, the combined chemical shift perturbation {delta}{delta}{sub comb}. In this paper different procedures (published and non-published) to calculate {delta}{delta}{sub comb} are examined that include a variety of different functional forms and weighting factors for each nucleus. The predictive power of all shift mapping methods depends on the magnitude of the overlap of the chemical shift distributions of interacting and non-interacting residues and the cut-off criterion used. In general, the quality of the prediction on the basis of chemical shift changes alone is rather unsatisfactory but the combination of chemical shift changes on the basis of the Hamming or the Euclidian distance can improve the result. The corrected standard deviation to zero of the combined chemical shift changes can provide a reasonable cut-off criterion. As we show combined chemical shifts can also be applied for a more reliable quantitative evaluation of titration data.

Chemical Engineering Education - Current and Future Trends

DEFF Research Database (Denmark)

Gani, Rafiqul

topics (transport phenomena, separations, reaction engineering, etc.) must remain strong, should the applications that currently emphasize commodity chemicals also include new topics such as sustainability, and product design? In Europe, the European Federation of Chemical Engineering (EFCE) has taken...... has a product focus. With this shift of the chemical industry, what should be the curriculum of the chemical engineering degrees at the BSc- and MSc-levels, and, are the skill set of chemical engineers appropriate for this altered chemical industry? While the basic skill set, defined by the core...... a leading role to define the chemical engineering curriculum. The result has been a set of recommendations for the first (BSc), second (MSc) and third (PhD) cycle chemical engineering education aligned to the Bologna Process. They recommend that students studying towards bachelor and masters qualifications...

Solubility of radionuclides in a bentonite environment for provisional safety analyses for SGT-E2

International Nuclear Information System (INIS)

Berner, U.

2014-08-01

Within stage 2 of the sectoral plan for deep geological repositories for radioactive waste in Switzerland provisional safety analyses are carried out. In the case of the repository for spent fuel and vitrified high level waste considered, retention mechanisms include the concentration limits of safety relevant elements in the pore water of the buffer material (bentonite). The present work describes the solubility limits of the safety relevant elements Be, C_i_n_o_r_g, Cl, K, Ca, Co, Ni, Se, Sr, Zr, Nb, Mo, Tc, Pd, Ag, Sn, I, Cs, Sm, Eu, Ho, Pb, Po, Ra, Ac, Th, Pa, U, Np, Pu, Am and Cm in the pore water of bentonite after diffusive solution exchange with the host rock Opalinus Clay. The term solubility limit denotes the maximum amount of an element dissolving in the pore solution of the considered chemical reference system. Chemical equilibrium thermodynamics is the classical tool used for quantifying such considerations. For a given solid phase equilibrium thermodynamics predict the amount of substance dissolving in the solution and describe the speciation of the considered element in solution. The principles of chemical equilibrium will also be the primary work hypothesis in the present work. Solubility calculations were performed with the most recent version of GEMS/PSI (GEMS3.2 v.890) using the PSI/Nagra Chemical Thermodynamic Data Base 12/07, which is an update of the former Nagra/PSI Chemical Thermodynamic Data Base 01/01. The database was complemented with datasets from the ThermoChimie v. 7b for elements that were not considered in the mentioned update (Ag, Co, Sm, Ho, Pa, Be), with data from Iupac (Pb) and with data from the literature (Mo). Differing sources for thermodynamic data are noted. Reference values as well as lower and upper guideline values are evaluated. For many formation constants of solids and solutes uncertainties are known and allow conveying lower and upper guideline values. In many cases it is not clear whether the most stable solid is

[The maintenance of automatic analysers and associated documentation].

Science.gov (United States)

Adjidé, V; Fournier, P; Vassault, A

2010-12-01

The maintenance of automatic analysers and associated documentation taking part in the requirements of the ISO 15189 Standard and the French regulation as well have to be defined in the laboratory policy. The management of the periodic maintenance and documentation shall be implemented and fulfilled. The organisation of corrective maintenance has to be managed to avoid interruption of the task of the laboratory. The different recommendations concern the identification of materials including automatic analysers, the environmental conditions to take into account, the documentation provided by the manufacturer and documents prepared by the laboratory including procedures for maintenance.

The use of microbial and chemical analyses to characterize the variations in fouling profile of seawater reverse osmosis (SWRO) membrane

KAUST Repository

Manes, Carmem Lara De O

2013-01-01

Biofouling of reverse osmosis (RO) membranes is one of the most common problems in desalinations plants reducing the efficiency of the water production process. The characterization of bacterial community composition from fouling layers as well as detailed analysis of surrounding chemical environment might reveal process specific bacterial groups/species that are involved in RO biofouling. In this study, advanced organics analytic methods (elemental analysis, FTIR, and ICP-OES) were combined with high-throughput 16S rRNA (pyro) sequencing to assess in parallel, the chemical properties and the active microbial community composition of SWRO membranes from a pilot desalination plant (MFT, Tarragona) in February 2011 and July 2011. Prefiltered ultrafiltration. waters fed SWRO membranes during third and fifth month of operation, respectively. SWRO samples were taken from three modules at different positions (first, fourth, and sixth) in order to investigate the spatial changes in fouling layers\\' chemical and microbiological composition. The overall assessment of chemical parameters revealed that fouling layers were mainly composed by bio and organic material (proteins and lipids). Ca and Fe were found to be the most abundant elements having an increasing concentration gradient according to the module position. Bacterial community composition of SWRO membranes is mostly represented by the Gammaproteobacteria class with interesting differences in genera/species spatial and temporal distribution. This preliminary result suggests that pretreatments and/or operational conditions might have selected different bacterial groups more adapted to colonize SWRO membranes. © 2013 Desalination Publications.

Selection, rejection and optimisation of pyrolytic graphite (PG) crystal analysers for use on the new IRIS graphite analyser bank

International Nuclear Information System (INIS)

Marshall, P.J.; Sivia, D.S.; Adams, M.A.; Telling, M.T.F.

2000-01-01

This report discusses design problems incurred by equipping the IRIS high-resolution inelastic spectrometer at the ISIS pulsed neutron source, UK with a new 4212 piece pyrolytic graphite crystal analyser array. Of the 4212 graphite pieces required, approximately 2500 will be newly purchased PG crystals with the remainder comprising of the currently installed graphite analysers. The quality of the new analyser pieces, with respect to manufacturing specifications, is assessed, as is the optimum arrangement of new PG pieces amongst old to circumvent degradation of the spectrometer's current angular resolution. Techniques employed to achieve these criteria include accurate calliper measurements, FORTRAN programming and statistical analysis. (author)

Estimated inventory of chemicals added to underground waste tanks, 1944--1975

International Nuclear Information System (INIS)

Allen, G.K.

1976-03-01

The five major chemical processes, the Bismuth Phosphate process, the Uranium Recovery process, the Redox process, the Purex process, and the Waste Fractionization process have each contributed to give the total Hanford waste chemicals. Each of these processes is studied to determine the total estimated chemicals stored in underground waste tanks. The chemical contents are derived mainly from flowsheet compositions and recorded waste volumes sent to underground storage. The major components and amounts of Hanford waste are sodium hydroxide, 230 million gram-moles (20 million pounds), sodium nitrate, 1400 million gram-moles (270 million pounds), sodium nitrite, 220 million gram-moles (34 million pounds), sodium aluminate, 400 million gram-moles (72 million pounds), and sodium phosphate, 87 million gram-moles (31 million pounds). Chemical analyses of the sludge and salt cake samples are tabulated to determine the chemical characteristics of the solids. A relative chemical toxicity of the Hanford underground waste tank chemicals is developed from maximum permissible chemical concentrations in air and water. The most toxic chemicals are assumed to be sodium phosphate--35%, sodium aluminate--28%, and chromium hydroxide--19%. If air standards set toxicity limits, the most toxic chemicals are bismuth--41%, chromium hydroxide--23%, and fluoride--10%

High-throughput screening of chemical effects on ...

Science.gov (United States)

Disruption of steroidogenesis by environmental chemicals can result in altered hormone levels causing adverse reproductive and developmental effects. A high-throughput assay using H295R human adrenocortical carcinoma cells was used to evaluate the effect of 2,060 chemical samples on steroidogenesis via HPLC-MS/MS quantification of 10 steroid hormones, including progestagens, glucocorticoids, androgens, and estrogens. The study employed a three stage screening strategy. The first stage established the maximum tolerated concentration (MTC; >70% viability) per sample. The second stage quantified changes in hormone levels at the MTC while the third stage performed concentration-response (CR) on a subset of samples. At all stages, cells were pre-stimulated with 10 µM forskolin for 48 h to induce steroidogenesis followed by chemical treatment for 48 h. Of the 2,060 chemical samples evaluated, 524 samples were selected for six-point CR screening, based in part on significantly altering at least 4 hormones at the MTC. CR screening identified 232 chemical samples with concentration-dependent effects on 17β-estradiol and/or testosterone, with 411 chemical samples showing an effect on at least one hormone across the steroidogenesis pathway. Clustering of the concentration-dependent chemical-mediated steroid hormone effects grouped chemical samples into five distinct profiles generally representing putative mechanisms of action, including CYP17A1 and HSD3B inhibition. A d

The Frontlines of Medicine Project: a proposal for the standardized communication of emergency department data for public health uses including syndromic surveillance for biological and chemical terrorism.

Science.gov (United States)

Barthell, Edward N; Cordell, William H; Moorhead, John C; Handler, Jonathan; Feied, Craig; Smith, Mark S; Cochrane, Dennis G; Felton, Christopher W; Collins, Michael A

2002-04-01

The Frontlines of Medicine Project is a collaborative effort of emergency medicine (including emergency medical services and clinical toxicology), public health, emergency government, law enforcement, and informatics. This collaboration proposes to develop a nonproprietary, "open systems" approach for reporting emergency department patient data. The common element is a standard approach to sending messages from individual EDs to regional oversight entities that could then analyze the data received. ED encounter data could be used for various public health initiatives, including syndromic surveillance for chemical and biological terrorism. The interlinking of these regional systems could also permit public health surveillance at a national level based on ED patient encounter data. Advancements in the Internet and Web-based technologies could allow the deployment of these standardized tools in a rapid time frame.

Chemical analyses of waters from geysers, hot springs, and pools in Yellowstone National Park, Wyoming from 1974 to 1978

Energy Technology Data Exchange (ETDEWEB)

Thompson, J.M.; Yadav, S.

1979-01-01

Waters from geysers, hot springs, and pools of Yellowstone National Park have been analyzed. We report 422 complete major ion analyses from 330 different locations of geysers, hot springs, and pools, collected from 1974 to 1978. Many of the analyses from Upper, Midway, Lower, and Norris Geyser Basin are recollections of features previously reported.

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

Construction technique for a chemical plant (I)

International Nuclear Information System (INIS)

1978-08-01

This book mentions the order of plant construction, building plant and related regulations, basic engineering design data, provide of equipment, plan and management on building plant, quality control, the budget and contract for building plant, public works for building chemical plant like road construction, basic plan and building for a chemical plant, introduction and principle on foundation improvement method, including pile foundation and design for footing, construction and installation for a chemical plant and a rotary machine for a chemical plant.

Implementation of the NMR CHEmical Shift Covariance Analysis (CHESCA): A Chemical Biologist's Approach to Allostery.

Science.gov (United States)

Boulton, Stephen; Selvaratnam, Rajeevan; Ahmed, Rashik; Melacini, Giuseppe

2018-01-01

Mapping allosteric sites is emerging as one of the central challenges in physiology, pathology, and pharmacology. Nuclear Magnetic Resonance (NMR) spectroscopy is ideally suited to map allosteric sites, given its ability to sense at atomic resolution the dynamics underlying allostery. Here, we focus specifically on the NMR CHEmical Shift Covariance Analysis (CHESCA), in which allosteric systems are interrogated through a targeted library of perturbations (e.g., mutations and/or analogs of the allosteric effector ligand). The atomic resolution readout for the response to such perturbation library is provided by NMR chemical shifts. These are then subject to statistical correlation and covariance analyses resulting in clusters of allosterically coupled residues that exhibit concerted responses to the common set of perturbations. This chapter provides a description of how each step in the CHESCA is implemented, starting from the selection of the perturbation library and ending with an overview of different clustering options.

[Chemical weapons and chemical terrorism].

Science.gov (United States)

Nakamura, Katsumi

2005-10-01

Chemical Weapons are kind of Weapons of Mass Destruction (WMD). They were used large quantities in WWI. Historically, large quantities usage like WWI was not recorded, but small usage has appeared now and then. Chemical weapons are so called "Nuclear weapon for poor countrys" because it's very easy to produce/possession being possible. They are categorized (1) Nerve Agents, (2) Blister Agents, (3) Cyanide (blood) Agents, (4) Pulmonary Agents, (5) Incapacitating Agents (6) Tear Agents from the viewpoint of human body interaction. In 1997 the Chemical Weapons Convention has taken effect. It prohibits chemical weapons development/production, and Organization for the Prohibition of Chemical Weapons (OPCW) verification regime contributes to the chemical weapons disposal. But possibility of possession/use of weapons of mass destruction by terrorist group represented in one by Matsumoto and Tokyo Subway Sarin Attack, So new chemical terrorism countermeasures are necessary.

Chemical constituents of marine mangrove-derived endophytic fungus Alternaria tenuissima EN-192

Science.gov (United States)

Sun, Hong; Gao, Shushan; Li, Xiaoming; Li, Chunshun; Wang, Bingui

2013-03-01

A chemical investigation of the ethyl acetate extract of the fermentation broth of Alternaria tenuissima EN-192, an endophytic fungus obtained from the stems of the marine mangrove plant Rhizophora stylosa, resulted in the isolation of nine known secondary metabolites, including four indole-diterpenoids: penijanthine A ( 1), paspaline ( 2), paspalinine ( 3), and penitrem A ( 4); three tricycloalternarene derivatives: tricycloalternarene 3a ( 5), tricycloalternarene 1b ( 6), and tricycloalternarene 2b ( 7); and two alternariol congeners: djalonensone ( 8) and alternariol ( 9). The chemical structures of these metabolites were characterized through a combination of detailed spectroscopic analyses and their comparison with reports from the literature. The inhibitory activities of each isolated compound against four bacteria were evaluated and compounds 5 and 8 displayed moderate activity against the aquaculture pathogenic bacterium Vibrio anguillarum, with inhibition zone diameters of 8 and 9 mm, respectively, at 100 μg/disk. To the best of our knowledge, this is the first report on the secondary metabolites of mangrove-derived A lternaria tenuissima and also the first report of the isolation of indole-diterpenoids from fungal genus A lternaria.

Radioactive sources in chemical laboratories

International Nuclear Information System (INIS)

Janzekovic, H.; Krizman, M.

2007-01-01

Radioactive sources including all radioactive materials exceeding exemption levels have to be registered in national databases according to international standards based on the recommendations ICRP 60 and a proper licensing should take place as described for example in the 96/29/EURATOM. In spite of that, unregistered sources could be found, usually due to the fact that the owner is not aware of radiation characteristics of sources. The material inventories of chemical laboratories are typical and most frequent example where radioactive sources could be found. Five different types of sources could be identified. The most frequent type are chemicals, namely thorium and uranium compounds. They are used not due to their radioactivity but due to their chemical properties. As for all other sources a stringent control is necessary in order to assure their safe use. Around hundred of stored radioactive chemical items were found during inspections of such laboratories performed by the Slovenian Nuclear Safety Administration or qualified experts in a period December 2006 - July 2007. Users of such chemicals are usually not aware that thorium and uranium chemicals are radioactive and, as unsealed sources, they could be easily spilled out and produce contamination of persons, surfaces, equipment etc. The external exposure as well as the internal exposure including exposure due to inhalation could be present. No knowledge about special precautions is usually present in laboratories and leads to underestimating of a potential risk and unintentional exposure of the laboratory personnel, students etc. Due to the long decay times in decay series of Th -232, U-238 and U- 235 the materials are also radioactive today. Even more, in case of thorium chemicals the radioactivity increased substantially from the time of their production. The implementation of safety measures has been under way and includes a survey of the qualified experts, establishment of organizational structure in a

The chemical industry of Ukraine

International Nuclear Information System (INIS)

Novikov, I.N.

1995-01-01

This work deals with the chemical industry of Ukraine and more particularly with the restructuring proposed by the Ministry of Industry. After having presented some generalities the author focuses on the restructuring programme which includes the improvement of the fertilizers supply for agriculture, the development of facilities for basic organic synthesis, the increase of petroleum based chemicals production, the increase of consumer products production and the reorientation of the chemical industry to more accessible and alternative sources of raw materials such as black and brown coal, oil shale, coke, oil-refining gases, plant raw materials... (O.L.)

Sensorial, physical and chemical evaluation of bio-fortified Ipomoea batatas

Directory of Open Access Journals (Sweden)

Mara N.G. Santos

2014-08-01

Full Text Available Context: Bio-fortified sweet potato, Ipomoea batatas (L. Lamarck beta-carotene rich, has been included in the most vulnerable population’s diet with the purpose of reducing health disturbances associated with hipovitaminosis. Aims:To evaluate a physical and chemical analysis of total carotenes and beta-carotene and to determine the antioxidant potential as well as to carry out a sensorial analysis of the bio-fortified Ipomoea batatas (L. Lamarck (BDB in nature and processed. Methods: BDB was processed as sweet (in natura, paste and syrup and physicochemical characteristics were compared, total carotenoids, beta-carotene, antioxidant activity (DPPH and microbiological and sensory analyses were performed. Results:The analysis of total carotenoids, beta-carotene and anti-oxidant potential showed the following results: BDB in nature – 11.81 mg/100 g/440.5 mg/100 g/26.30%; sweet paste – 0.61 mg/100 g/53.5 mg/100 g/53.40% and savored syrup – 0.85 mg/100 g/46.0 mg/100 g/14.30%. The methods of conservation avoided the coliforms growth at 35 and 45°C, Staphylococcus coagulasa positivo, Bacillus cereus and Salmonella in all elaborated candies. The sensorial analysis didn’t detect significant differences among the syrup or paste. Conclusions: The conservation methods have an important function keeping the physical, chemical characteristics and sensorial of BDB, although they can influence in their chemical and nutritional composition, mainly in relation to the quantity of total carotenoids and beta-carotene.

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 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 the these organizations. The BCST also maintains close contact with professional societies and nongovernmental 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 Chemistry and Biochemistry Sections of the National Academy of Sciences (NAS), and the National Academy of Engineering (NAE). 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. A sampling of these concerns include: industry-university cooperation; basic research funding in DOD, DOE, NIH, and NSF; basic research in the chemistry of life processes; basic research in biochemical engineering; basic research in the science and technology of new materials; and undergraduate education in chemistry and chemical engineering

Chemical composition and antimicrobial activity of the essential oil of endemic Dalmatian black pine (Pinus nigra ssp. dalmatica).

Science.gov (United States)

Politeo, Olivera; Skocibusic, Mirjana; Maravic, Ana; Ruscic, Mirko; Milos, Mladen

2011-03-01

The chemical composition and the antimicrobial activity of the essential oil isolated from the needles of endemic Dalmatian black pine (Pinus nigra ssp. dalmatica) from Croatia were investigated. The chemical composition of the essential oil was determined by GC and GC/MS analyses, and the main compounds identified were α-pinene, β-pinene, germacrene D, and β-caryophyllene. Disc-diffusion and broth-microdilution assays were used for the in vitro antimicrobial screening. The Dalmatian black pine essential oil exhibited a great potential of antibacterial activity against Gram-positive bacteria (MIC=0.03-0.50% (v/v)) and a less pronounced activity against Gram-negative bacteria (MIC=0.12-3.2% (v/v)). The volatile compounds also inhibited the growth of all fungi tested, including yeast. Copyright © 2011 Verlag Helvetica Chimica Acta AG, Zürich.

Ultrasound in chemical processes

International Nuclear Information System (INIS)

Baig, S.; Farooq, R.; Malik, A.H.

2009-01-01

The use of ultrasound to promote chemical reactions or sono chemistry is a field of chemistry which involves the process of acoustic cavitations i.e. the collapse of microscopic bubbles in liquid. There are two essential components for the application of sono chemistry, a liquid medium and a source of high-energy vibrations. The liquid medium is necessary because sono chemistry is driven by acoustic cavitations that can only occur in liquids. The source of the vibrational energy is the transducer. The chemical effects of ultrasound include the enhancement of reaction rates at ambient temperatures and striking advancements in stoichiometric and catalytic reactions In some cases, ultrasonic irradiation can increase reactivities by nearly million fold. The ultrasound has large number of applications not only in emending old chemical processes but also in developing new synthetic strategies. Ultrasound enhances all chemical and physical processes e.g., crystallization, vitamin synthesis, preparation of catalysts, dissolution of chemicals, organometallic reactions, electrochemical processes, etc. High-power ultrasonics is a new powerful technology that is not only safe and environmentally friendly in its application but is also efficient and economical. It can be applied to existing processes to eliminate the need for chemicals and/or heat application in a variety of industrial processes. (author)

Chemical cleaning, decontamination and corrosion

International Nuclear Information System (INIS)

Gadiyar, H.S.; Das Chintamani; Gaonkar, K.B.

1991-01-01

Chemical cleaning of process equipments and pipings in chemical/petrochemical industries is necessitated for improving operation, for preventing premature failures and for avoiding contamination. In developing a chemical formulation for cleaning equipments, the important aspects to be considered include (i) effective removal of corrosion products and scales, (ii) minimum corrosion of the base metal, (iii) easy to handle chemicals and (iv) economic viability. As on date, a wide variety of chemical formulations are available, many of them are either proprietory or patented. For evolving an effective formulation, knowledge of the oxides of various metals and alloys on the one hand and acid concentration, complexing agents and inhibitors to be incorporated on the other, is quite essential. Organic acids like citric acid, acetic acid and formic acid are more popular ones, often used with EDTA for effective removal of corrosion products from ferrous components. The report enumerates some of the concepts in developing effective formulations for chemical cleaning of carbon steel components and further, makes an attempt to suggest simple formulations to be developed for chemical decontamination. (author). 6 refs., 3 fi gs., 4 tabs

Chemical composition of chicken meat produced in extensive indoor ...

African Journals Online (AJOL)

Cooled carcasses were dissected into primal cuts. Breast and leg muscle (thigh and drumstick) samples were used for chemical analyses. The obtained results suggested that free range rearing system was more favourable than extensive indoor system, as it resulted in a significantly higher protein content and a lower fat ...

Physico-chemical characteristics and Heavy metal levels in Drinking ...

African Journals Online (AJOL)

Physico-chemical characteristics and Heavy metal levels in Drinking Water ... composition was analysed using X-ray Fluorescence spectroscopy. Majority of the water samples had neutral pH (6.80 – 7.20) few were slightly alkaline and one was acidic. ... Heavy metals (copper and lead), rare earth metals (gallium, rubidium, ...

How Flow Injection Analysis (FIA) over the past 25 years has changed our way of performing chemical analyses

DEFF Research Database (Denmark)

Hansen, Elo Harald; Miró, Manuel

2007-01-01

Briefly looking back on the impact of flow injection analysis (FIA), as reflected in the rapid growth of publications in the scientific literature, and touching upon many of the novel and unique analytical chemical possibilities that FIA and its sequels, sequential injection analysis (SIA) and La...

Advanced chemical analysis service for elements, radionuclides and phases

International Nuclear Information System (INIS)

Sansoni, B.

1986-01-01

A review is given on the structure, organisation and performance of the chemical analysis service of the Central Department for Chemical Analysis at the Kernforschungsanlage Juelich GmbH. The research and development programs together with the infrastructure of the Centre afford to analyse almost all stable elements of the periodical table in almost any material. The corresponding chemical analysis service has been organized according to a new modular system of analytical steps. According to this, the most complicated and, therefore, most general case of an analytical scheme for element and radionuclide analysis in any type of material can be differentiated into about 14 different steps, the modules. They are more or less independent of the special problem. The laboratory is designed and organized according to these steps. (orig./PW) [de

Adolescent Exposure to Toxic Volatile Organic Chemicals From E-Cigarettes.

Science.gov (United States)

Rubinstein, Mark L; Delucchi, Kevin; Benowitz, Neal L; Ramo, Danielle E

2018-04-01

There is an urgent need to understand the safety of e-cigarettes with adolescents. We sought to identify the presence of chemical toxicants associated with e-cigarette use among adolescents. Adolescent e-cigarette users (≥1 use within the past 30 days, ≥10 lifetime e-cigarette use episodes) were divided into e-cigarette-only users (no cigarettes in the past 30 days, urine 4-[methylnitrosamino]-1-[3-pyridyl]-1-butanol [NNAL] level 30 pg/mL; n = 16), and never-using controls ( N = 20). Saliva was collected within 24 hours of the last e-cigarette use for analysis of cotinine and urine for analysis of NNAL and levels of 8 volatile organic chemical compounds. Bivariate analyses compared e-cigarette-only users with dual users, and regression analyses compared e-cigarette-only users with dual users and controls on levels of toxicants. The participants were 16.4 years old on average. Urine excretion of metabolites of benzene, ethylene oxide, acrylonitrile, acrolein, and acrylamide was significantly higher in dual users versus e-cigarette-only users (all P < .05). Excretion of metabolites of acrylonitrile, acrolein, propylene oxide, acrylamide, and crotonaldehyde were significantly higher in e-cigarette-only users compared with controls (all P < .05). Although e-cigarette vapor may be less hazardous than tobacco smoke, our findings can be used to challenge the idea that e-cigarette vapor is safe, because many of the volatile organic compounds we identified are carcinogenic. Messaging to teenagers should include warnings about the potential risk from toxic exposure to carcinogenic compounds generated by these products. Copyright © 2018 by the American Academy of Pediatrics.

Biomass feedstock analyses

Energy Technology Data Exchange (ETDEWEB)

Wilen, C.; Moilanen, A.; Kurkela, E. [VTT Energy, Espoo (Finland). Energy Production Technologies

1996-12-31

The overall objectives of the project `Feasibility of electricity production from biomass by pressurized gasification systems` within the EC Research Programme JOULE II were to evaluate the potential of advanced power production systems based on biomass gasification and to study the technical and economic feasibility of these new processes with different type of biomass feed stocks. This report was prepared as part of this R and D project. The objectives of this task were to perform fuel analyses of potential woody and herbaceous biomasses with specific regard to the gasification properties of the selected feed stocks. The analyses of 15 Scandinavian and European biomass feed stock included density, proximate and ultimate analyses, trace compounds, ash composition and fusion behaviour in oxidizing and reducing atmospheres. The wood-derived fuels, such as whole-tree chips, forest residues, bark and to some extent willow, can be expected to have good gasification properties. Difficulties caused by ash fusion and sintering in straw combustion and gasification are generally known. The ash and alkali metal contents of the European biomasses harvested in Italy resembled those of the Nordic straws, and it is expected that they behave to a great extent as straw in gasification. Any direct relation between the ash fusion behavior (determined according to the standard method) and, for instance, the alkali metal content was not found in the laboratory determinations. A more profound characterisation of the fuels would require gasification experiments in a thermobalance and a PDU (Process development Unit) rig. (orig.) (10 refs.)

International conference on the performance of engineered barriers. Physical and chemical properties, behaviour and evolution. Short abstracts

Energy Technology Data Exchange (ETDEWEB)

Schaefers, Annika; Fahland, Sandra (eds.)

2014-08-01

The volume includes the abstracts of the papers presented at the international conference on the performance of engineered barrier systems, their physical and chemical properties, behavior and evolution. The papers cover the topics bentonite buffers, radioactive waste repository safety, geophysical and geochemical property monitoring, repository sealing materials, thermo-hydro-mechanical characterization, gas injection tests, hydration and heating tests, clay-iron interaction experiments, water retention behavior, thermal stability of materials, numerical modeling studies, long-term simulations, thermo-hydrologic phenomena, uncertainty and sensitivity studies, probabilistic assessments, preliminary safety analyses of Gorleben.

The Use of Chemical-Chemical Interaction and Chemical Structure to Identify New Candidate Chemicals Related to Lung Cancer.

Directory of Open Access Journals (Sweden)

Lei Chen

Full Text Available Lung cancer causes over one million deaths every year worldwide. However, prevention and treatment methods for this serious disease are limited. The identification of new chemicals related to lung cancer may aid in disease prevention and the design of more effective treatments. This study employed a weighted network, constructed using chemical-chemical interaction information, to identify new chemicals related to two types of lung cancer: non-small lung cancer and small-cell lung cancer. Then, a randomization test as well as chemical-chemical interaction and chemical structure information were utilized to make further selections. A final analysis of these new chemicals in the context of the current literature indicates that several chemicals are strongly linked to lung cancer.

SOCR Analyses: Implementation and Demonstration of a New Graphical Statistics Educational Toolkit

Directory of Open Access Journals (Sweden)

Annie Chu

2009-04-01

Full Text Available The web-based, Java-written SOCR (Statistical Online Computational Resource toolshave been utilized in many undergraduate and graduate level statistics courses for sevenyears now (Dinov 2006; Dinov et al. 2008b. It has been proven that these resourcescan successfully improve students' learning (Dinov et al. 2008b. Being rst publishedonline in 2005, SOCR Analyses is a somewhat new component and it concentrate on datamodeling for both parametric and non-parametric data analyses with graphical modeldiagnostics. One of the main purposes of SOCR Analyses is to facilitate statistical learn-ing for high school and undergraduate students. As we have already implemented SOCRDistributions and Experiments, SOCR Analyses and Charts fulll the rest of a standardstatistics curricula. Currently, there are four core components of SOCR Analyses. Linearmodels included in SOCR Analyses are simple linear regression, multiple linear regression,one-way and two-way ANOVA. Tests for sample comparisons include t-test in the para-metric category. Some examples of SOCR Analyses' in the non-parametric category areWilcoxon rank sum test, Kruskal-Wallis test, Friedman's test, Kolmogorov-Smirno testand Fligner-Killeen test. Hypothesis testing models include contingency table, Friedman'stest and Fisher's exact test. The last component of Analyses is a utility for computingsample sizes for normal distribution. In this article, we present the design framework,computational implementation and the utilization of SOCR Analyses.

Applied chemical engineering thermodynamics

CERN Document Server

Tassios, Dimitrios P

1993-01-01

Applied Chemical Engineering Thermodynamics provides the undergraduate and graduate student of chemical engineering with the basic knowledge, the methodology and the references he needs to apply it in industrial practice. Thus, in addition to the classical topics of the laws of thermodynamics,pure component and mixture thermodynamic properties as well as phase and chemical equilibria the reader will find: - history of thermodynamics - energy conservation - internmolecular forces and molecular thermodynamics - cubic equations of state - statistical mechanics. A great number of calculated problems with solutions and an appendix with numerous tables of numbers of practical importance are extremely helpful for applied calculations. The computer programs on the included disk help the student to become familiar with the typical methods used in industry for volumetric and vapor-liquid equilibria calculations.

THE EFFECT OF SELECTED PHYSICAL AND CHEMICAL PARAMETERS ON MICROBIOLOGICAL STATUS OF THE VISTULA RIVER NEAR WARSAW

Directory of Open Access Journals (Sweden)

Janusz Augustynowicz

2016-02-01

Full Text Available The types of organisms present in water reservoirs depend on water purity and biochemical processes that occur. Therefore, one of the methods of water quality assessment is to determine its condition by determining the biological indicators, including microbiological parameters. The aim of the experiment presented in this paper was to investigate the effects of selected physical and chemical parameters of water samples from the Vistula River on the microbiological status of water. The experiment was conducted in water samples collected in the central part of the Vistula River in Warsaw. The analyses of selected parameters were performed once a month throughout the year. Microbiological tests included: number of nitrogen fixing bacteria, MPN nitrifying bacteria, MPN sulfate-reducing bacteria. Physical and chemical parameters such as temperature, pH and total nitrogen content were determined in water samples. The results showed a correlation between temperature, pH and microbiological parameters. However, there was no significant correlation between the number of tested microorganisms and the concentration of total nitrogen in water samples.

Calculation of neutron activation discriminating the chemical weapons underground using Monte Carlo methods

International Nuclear Information System (INIS)

Shen Chunxia; Qian Jianfu; Zhang Wenzhong

2003-01-01

This paper mainly calculate neutron activation discriminating the chemical weapons underground, and analyses the factors that soil influence discrimination, finally we conclude soil can not influence discrimination. (authors)

Elemental analyses of bulk and individual particles by PIXE and SEM-EDX

International Nuclear Information System (INIS)

Kasahara, Mikio; Shinoda, Kazuyuki; Takahashi, Kanji; Yoshida, Kouji.

1993-01-01

The atmospheric aerosol samples were collected by a stacked filter method under the various environmental conditions. The elemental concentrations of aerosol particles were measured using PIXE analysis as a bulk sample. And also elemental compositions of about 200 individual particles per each sample were measured by SEM-EDX analysis. In this study, the correspondencies of analytical results measured by both analyses as well as chemical characteristics of individual and bulk aerosols were investigated. (author)

Chemometrical characterization of four italian rice varieties based on genetic and chemical analyses.

Science.gov (United States)

Brandolini, Vincenzo; Coïsson, Jean Daniel; Tedeschi, Paola; Barile, Daniela; Cereti, Elisabetta; Maietti, Annalisa; Vecchiati, Giorgio; Martelli, Aldo; Arlorio, Marco

2006-12-27

This paper describes a method for achieving qualitative identification of four rice varieties from two different Italian regions. To estimate the presence of genetic diversity among the four rice varieties, we used polymerase chain reaction-randomly amplified polymorphic DNA (PCR-RAPD) markers, and to elucidate whether a relationship exists between the ground and the specific characteristics of the product, we studied proximate composition, fatty acid composition, mineral content, and total antioxidant capacity. Using principal component analysis on genomic and compositional data, we were able to classify rice samples according to their variety and their district of production. This work also examined the discrimination ability of different parameters. It was found that genomic data give the best discrimination based on varieties, indicating that RAPD assays could be useful in discriminating among closely related species, while compositional analyses do not depend on the genetic characters only but are related to the production area.

Externally predictive single-descriptor based QSPRs for physico-chemical properties of polychlorinated-naphthalenes: Exploring relationships of log S{sub W}, log K{sub OA}, and log K{sub OW} with electron-correlation

Energy Technology Data Exchange (ETDEWEB)

Chayawan; Vikas, E-mail: qlabspu@pu.ac.in

2015-10-15

Highlights: • Aqueous solubility and partition coefficient are modelled using single-parameter. • Electron-correlation observed as a vital predictorof physico-chemical properties. • For octanol-air partition coefficient, energy and polarizability yield best models. • Dipole-moment is found to be worst single-descriptor for the properties analysed. - Abstract: Quantitative structure–property relationships (QSPRs), based only on a single-parameter, are proposed for the prediction of physico-chemical properties, namely, aqueous solubility (log S{sub W}), octanol–water partition coefficient (log K{sub OW}) and octanol–air partition coefficient (log K{sub OA}) of polychloronaphthalenes (PCNs) including all the 75 chloronaphthalene congeners. The QSPR models are developed using molecular descriptors computed through quantum mechanical methods including ab-initio as well as advanced semi-empirical methods. The predictivity of the developed models is tested through state-of-the-art external validation procedures employing an external prediction set of compounds. To analyse the role of instantaneous interactions between electrons (the electron-correlation), the models are also compared with those developed using only the electron-correlation contribution of the quantum chemical descriptor. The electron-correlation contribution towards the chemical hardness and the LUMO energy are observed to be the best predictors for octanol–water partition coefficient, whereas for the octanol–air partition coefficient, the total electronic energy and electron-correlation energy are found to be reliable descriptors, in fact, even better than the polarisability. For aqueous solubility of PCNs, the absolute electronegativity is observed to be the best predictor. This work suggests that the electron-correlation contribution of a quantum-chemical descriptor can be used as a reliable indicator for physico-chemical properties, particularly the partition coefficients.

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)

Chemical influences of the environment

Energy Technology Data Exchange (ETDEWEB)

Carr, D J

1961-01-01

It is possible to consider the chemical effects of the environment in various ways. A distinction can be made, for instance, between chemical and physicochemical effects. The latter would include such phenomena as osmotic pressure, pH, adsorption phenomena and redox potentials. Of these, pH is so universally involved in physiological experiments as to render any treatment of its effects almost superfluous. The measurement and interpretation of redox potentials is so fraught with difficulties that they are of real value only with systems which can be simplified to a few chemical components. In this study of the effects of chemicals on plant growth and development, only such chemicals as occur in natural environments where plants grow will be considered. The effects of synthetic hormones or of fertilizers will, therefore, be neglected, but some attention must be given to certain gases which, as pollutants, must be considered as part of the atmosphere of any industrialized country. They are O/sub 3/, CO, and ethylene.

Effects of different chemical materials and cultural methods on ...

African Journals Online (AJOL)

reading 6

2011-10-27

Oct 27, 2011 ... which accounts for 53% of wheat production in China and about 15% of the total ... environment as it is mainly made from chemical mate- rials. ... yield and yield components in harvest in both years were deter- mined. The data were subjected to analyses of variance (ANOVA) ..... Long-term stability of.

Calibration and use of the polar organic chemical integrative sampler--a critical review.

Science.gov (United States)

Harman, Christopher; Allan, Ian John; Vermeirssen, Etiënne L M

2012-12-01

The implementation of strict environmental quality standards for polar organic priority pollutants poses a challenge for monitoring programs. The polar organic chemical integrative sampler (POCIS) may help to address the challenge of measuring low and fluctuating trace concentrations of such organic contaminants, offering significant advantages over traditional sampling. In the present review, the authors evaluate POCIS calibration methods and factors affecting sampling rates together with reported environmental applications. Over 300 compounds have been shown to accumulate in POCIS, including pesticides, pharmaceuticals, hormones, and industrial chemicals. Polar organic chemical integrative sampler extracts have been used for both chemical and biological analyses. Several different calibration methods have been described, which makes it difficult to directly compare sampling rates. In addition, despite the fact that some attempts to correlate sampling rates with the properties of target compounds such as log K(OW) have been met with varying success, an overall model that can predict uptake is lacking. Furthermore, temperature, water flow rates, salinity, pH, and fouling have all been shown to affect uptake; however, there is currently no robust method available for adjusting for these differences. Overall, POCIS has been applied to a wide range of sampling environments and scenarios and has been proven to be a useful screening tool. However, based on the existing literature, a more mechanistic approach is required to increase understanding and thus improve the quantitative nature of the measurements. Copyright © 2012 SETAC.

Chemical reaction due to stronger Ramachandran interaction

Indian Academy of Sciences (India)

actions between two polarized atoms are responsible for initiating a chemical reaction, either before or after ... Chemical reaction; Ramachandran interaction; anisotropic and asymmetric polarization; ionization ..... man sequence exactly, including the generalized mech- ..... We now move on and rearrange Eq. (8) to arrive at.

Mutagenicity of chemicals in genetically modified animals

NARCIS (Netherlands)

Willems MI; van Benthem J; LEO

2001-01-01

The strategy for assessing human health risks of chemicals consists of a large number of tests in different research disciplines. Tests include acute and chronic toxicity, genotoxicity, reproduction toxicity and carcinogenicity. Genotoxic properties of chemicals are assessed in short-term in vitro

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.

Methodology for the physical and chemical exergetic analysis of steam boilers

International Nuclear Information System (INIS)

Ohijeagbon, Idehai O.; Waheed, M. Adekojo; Jekayinfa, Simeon O.

2013-01-01

This paper presents a framework of thermodynamic, energy and exergy, analyses of industrial steam boilers. Mass, energy, and exergy analysis were used to develop a methodology for evaluating thermodynamic properties, energy and exergy input and output resources in industrial steam boilers. Determined methods make available an analytic procedure for the physical and chemical exergetic analysis of steam boilers for appropriate applications. The energy and exergy efficiencies obtained for the entire boiler was 69.56% and 38.57% at standard reference state temperature of 25 °C for an evaporation ratio of 12. Chemical exergy of the material streams was considered to offer a more comprehensive detail on energy and exergy resource allocation and losses of the processes in a steam boiler. - Highlights: ► We evaluated thermodynamic properties and performance variables associated with material streams. ► We analysed resources allocation, and magnitude of exergetic losses in steam boilers. ► Chemical exergy of material streams contributed to improved exergy values. ► High operational parameter will lead to higher boiler exergy. ► Exergy destroyed was higher in the combustion as against the heat exchanging unit

CHEMICAL ENGINEERING DIVISION SUMMARY REPORT

Energy Technology Data Exchange (ETDEWEB)

Lawroski, S.; Vogel, R. C.; Levenson, Milton; Munnecke, V. H.

1963-07-01

Work reported includes: Chemical-Metallurgical Processing; Fuel Cycle Applications of Volatility and Fluidization Techniques; Calorimetry; Reactor Safety; Energy Conversion; and Determination of Nuclear Constants.

Investigation research on the evaluation of a coupled thermo-hydro-mechanical-chemical phenomena. 3. Result Report

International Nuclear Information System (INIS)

Ishihara, Yoshinao; Ito, Takaya; Chijimatsu, Masakazu; Amemiya, Kiyoshi; Shiozaki, Isao

2004-02-01

In order to realize a coupling analysis in the near field of the geological disposal system, the coupling analysis code 'COUPLYS (Coupling analysis system)' on the Thermo-Hydro-Mechanical-Chemical (THMC) phenomena by THAMES, Dtransu and phreeqc, which are existing analysis code, is developed in this study. And some case analyses on THMC phenomena are carried out by this code. (1) Some supporting modules, which include the transfer of dissolution concentration and total concentration (dissolution + precipitation concentration), were prepared as a functional expansion. And in order to add on the function of treat de-gases and gases diffusion, accumulation and dilution phenomena, the mass transport analysis code was modified. (2) We have modified reactive transport module to treat ionic exchange, surface reaction and kinetic reaction in the each barrier. (3) We have prepared hydraulic conductivity module of buffer material depending on change of dry density due to chemical equilibrium (dissolution and precipitation of minerals), degradation of buffer material such as Ca-type bentonite and change of concentration of NaCl solutions. After THAMES, Dtransu, phreeqc and the hydraulic conductivity module were installed in COUPLYS (Coupling Analysis), verification study was carried out to check basic function. And we have modified COUPLYS to control coupling process. (4) In order to confirm the applicability of the developed THMC analysis code (existing analysis code and COUPLYS), we have carried out case analyses on 1-dimensional and 3-dimensional model which are including vitrified waste, over-pack, buffer material and rock in the HLW near-field. (author)

Chemical composition of groundwater/drinking water and oncological disease mortality in Slovak Republic.

Science.gov (United States)

Rapant, S; Cvečková, V; Fajčíková, K; Dietzová, Z; Stehlíková, B

2017-02-01

This study deals with the analysis of relationship between chemical composition of the groundwater/drinking water and the data on mortality from oncological diseases (MOD) in the Slovak Republic. Primary data consist of the Slovak national database of groundwater analyses (20,339 chemical analyses, 34 chemical elements/compounds) and data on MOD (17 health indicators) collected for the 10-year period (1994-2003). The chemical and health data were unified in the same form and expressed as the mean values for each of 2883 municipalities within the Slovak Republic. Pearson and Spearman correlation as well as artificial neural network (ANN) methods were used for analysis of the relationship between chemical composition of groundwater/drinking water and MOD. The most significant chemical elements having influence on MOD were identified together with their limit values (limit and optimal contents). Based on the results of calculations, made through the neural networks, the following eight chemical elements/parameters in the groundwater were defined as the most significant for MOD: Ca + Mg (mmol l -1 ), Ca, Mg, TDS, Cl, HCO 3 , SO 4 and NO 3 . The results document the highest relationship between MOD and groundwater contents of Ca + Mg (mmol l -1 ), Ca and Mg. We observe increased MOD with low (deficit) contents of these three parameters of groundwater/drinking water. The following limit values were set for the most significant groundwater chemicals/parameters: Ca + Mg 1.73-5.85 mmol l -1 , Ca 60.5-196.8 mg l -1 and Mg 25.6-35.8 mg l -1 . At these concentration ranges, the mortality for oncological diseases in the Slovak Republic is at the lowest levels. These limit values are about twice higher in comparison with the current Slovak valid guideline values for the drinking water.

Antitheilerial Chemical Drugs: A Review | Hayat | Bulletin of Animal ...

African Journals Online (AJOL)

Synthetic or semi synthetic chemical drugs were used for treatment of Theileria species. These drugs include antimalarial, trypanocides and antibiotics, antiviral, etc. The aim of this study was to over-view chemical drugs tested for treatment of theileriosis. Keywords: Theileria, treatment, chemical drug ...

Variability of chemical analysis of reinforcing bar produced in Saudi Arabia

Science.gov (United States)

Salman, A.; Djavanroodi, F.

2018-04-01

In view of the importance and demanding roles of steel rebar’s in the reinforced concrete structures, accurate information on the properties of the steels is important at the design stage. In the steelmaking process, production variations in chemical composition are unavoidable. The aim of this work is to study the variability of the chemical composition of reinforcing steel produced throughout the Saudi Arabia and asses the quality of steel rebar’s acoording to ASTM A615. 68 samples of ASTM A615 Grade 60 from different manufacturers were collected and tested using the Spectrometer test to obtain Chemical Compositions. EasyFit (5.6) software is utilized to conducted statistical analysis. Chemical compositions distributions and, control charts are generated for the compositions. Results showed that some compositions are above the upper line of the control chart. Finally, the analyses show that less than 3% of the steel failed to meet minimum ASTM standards for chemical composition.

Elemental analyses on porcelains of Tang and Song Dynasties excavated from Yongjinwan zone at Jinsha site

Science.gov (United States)

Xia, C. D.; Ge, L. J.; Liu, M. T.; Zhu, J. J.; An, Z.; Bai, B.

2018-02-01

The work presented here carried out elemental analyses on 60 porcelain shards of Tang and Song Dynasties, unearthed from Yongjinwan zone at Jinsha site, Sichuan, China, using a combination of PIXE and RBS methods. Six shards from Liulichang kiln site and 6 from Shifangtang kiln site were also analyzed as reference materials. The factor analyses for the elemental compositions in the bodies and glazes of the total 72 porcelain shards have been performed to explore their similarities and differences. Combining the results of factor analyses on elements in bodies and glazes and the classification by traditional archaeological criteria, the provenances for most of shards unearthed from Yongjinwan zone in Jinsha site could be determined. Majority of shards with a Qiong-kiln style were found as products of Liulichang kiln, this is consistent with Yongjinwan's geographical location and social environment, i.e., Yongjinwan was a suburban settlement nearest to Liulichang kiln in ancient times. Although both products of Liulichang kiln and Shifangtang kiln belonged to Qiong-kiln system and they shared a similar appearance such as red body and celadon glaze, there were distinct differences in chemical composition which could be unraveled by PIXE-RBS measurements and factor analysis. There were no apparent differences of chemical compositions for the same kinds of body and glaze between Tang and Song Dynasties, which may suggest that raw materials and production techniques for the same kinds of body and glaze continued between Tang and Song Dynasties. The chemical characteristics for each kind of body and glaze and the correlations between element composition and porcelain appearance were also obtained in this work.

Endocrine Disrupting Chemicals and Disease Susceptibility

Science.gov (United States)

Schug, Thaddeus T.; Janesick, Amanda; Blumberg, Bruce; Heindel, Jerrold J.

2011-01-01

Environmental chemicals have significant impacts on biological systems. Chemical exposures during early stages of development can disrupt normal patterns of development and thus dramatically alter disease susceptibility later in life. Endocrine disrupting chemicals (EDCs) interfere with the body's endocrine system and produce adverse developmental, reproductive, neurological, cardiovascular, metabolic and immune effects in humans. A wide range of substances, both natural and man-made, are thought to cause endocrine disruption, including pharmaceuticals, dioxin and dioxin-like compounds, polychlorinated biphenyls, DDT and other pesticides, and components of plastics such as bisphenol A (BPA) and phthalates. EDCs are found in many everyday products– including plastic bottles, metal food cans, detergents, flame retardants, food additives, toys, cosmetics, and pesticides. EDCs interfere with the synthesis, secretion, transport, activity, or elimination of natural hormones. This interference can block or mimic hormone action, causing a wide range of effects. This review focuses on the mechanisms and modes of action by which EDCs alter hormone signaling. It also includes brief overviews of select disease endpoints associated with endocrine disruption. PMID:21899826

Chemical Preparation Laboratory IND Candidate Compounds.

Science.gov (United States)

1986-01-21

and final products unreported in the chemical literature were fully characterized by elemental and spectral analyses. 3 V% TABLE OF CONTENTS Page I...resulting crystalline material was filtered and washed with water to yield 2.0 g. An additional 0.2 g of the product was recovered from the above filtrate... mercaptopurine (Tri-C- acetvlthioinosine) (3): To a well stirred mixture of 2 (93.0 g, 0.236 mol) and pyridine (3570 mL), phosphorus pentasulfide (220.0 g, 0.49

Possible future HERA analyses

International Nuclear Information System (INIS)

Geiser, Achim

2015-12-01

A variety of possible future analyses of HERA data in the context of the HERA data preservation programme is collected, motivated, and commented. The focus is placed on possible future analyses of the existing ep collider data and their physics scope. Comparisons to the original scope of the HERA pro- gramme are made, and cross references to topics also covered by other participants of the workshop are given. This includes topics on QCD, proton structure, diffraction, jets, hadronic final states, heavy flavours, electroweak physics, and the application of related theory and phenomenology topics like NNLO QCD calculations, low-x related models, nonperturbative QCD aspects, and electroweak radiative corrections. Synergies with other collider programmes are also addressed. In summary, the range of physics topics which can still be uniquely covered using the existing data is very broad and of considerable physics interest, often matching the interest of results from colliders currently in operation. Due to well-established data and MC sets, calibrations, and analysis procedures the manpower and expertise needed for a particular analysis is often very much smaller than that needed for an ongoing experiment. Since centrally funded manpower to carry out such analyses is not available any longer, this contribution not only targets experienced self-funded experimentalists, but also theorists and master-level students who might wish to carry out such an analysis.

Chemical studies on the polysaccharides of Salicornia brachiata.

Science.gov (United States)

Sanandiya, Naresh D; Siddhanta, A K

2014-11-04

A group of 12 polysaccharide extracts were prepared from the tips, stem and roots of an Indian halophyte Salicornia brachiata Roxb. obtained by sequential extractions with cold water (CW), hot water (HW), aqueous ammonium oxalate (OX) and aqueous sodium hydroxide (ALK) solutions. Monosaccharide composition analysis revealed that all the polysaccharide extract samples consisted primarily of rhamnose, arabinose, mannose, galactose, glucose, whereas ribose and xylose were present only in some of the extracts. All the extracts exhibited low apparent viscosity (1.47-2.02 cP) and sulphate and contained no prominent toxic metal ions. Fucose was detected only in OX extract of the roots. These polysaccharides were found to be heterogeneous and highly branched (glycoside linkage analysis, size-exclusion chromatography, (13)C-NMR, FT-IR, circular dichroism and optical rotation data). Physico-chemical analyses of these polysaccharides including uronic acid, sulphate and protein contents were also carried out. This constitutes the first report on the profiling of Salicornia polysaccharides. Copyright © 2014 Elsevier Ltd. All rights reserved.

Advanced Chemical Propulsion Study

Science.gov (United States)

Woodcock, Gordon; Byers, Dave; Alexander, Leslie A.; Krebsbach, Al

2004-01-01

A study was performed of advanced chemical propulsion technology application to space science (Code S) missions. The purpose was to begin the process of selecting chemical propulsion technology advancement activities that would provide greatest benefits to Code S missions. Several missions were selected from Code S planning data, and a range of advanced chemical propulsion options was analyzed to assess capabilities and benefits re these missions. Selected beneficial applications were found for higher-performing bipropellants, gelled propellants, and cryogenic propellants. Technology advancement recommendations included cryocoolers and small turbopump engines for cryogenic propellants; space storable propellants such as LOX-hydrazine; and advanced monopropellants. It was noted that fluorine-bearing oxidizers offer performance gains over more benign oxidizers. Potential benefits were observed for gelled propellants that could be allowed to freeze, then thawed for use.

[Methods, challenges and opportunities for big data analyses of microbiome].

Science.gov (United States)

Sheng, Hua-Fang; Zhou, Hong-Wei

2015-07-01

Microbiome is a novel research field related with a variety of chronic inflamatory diseases. Technically, there are two major approaches to analysis of microbiome: metataxonome by sequencing the 16S rRNA variable tags, and metagenome by shot-gun sequencing of the total microbial (mainly bacterial) genome mixture. The 16S rRNA sequencing analyses pipeline includes sequence quality control, diversity analyses, taxonomy and statistics; metagenome analyses further includes gene annotation and functional analyses. With the development of the sequencing techniques, the cost of sequencing will decrease, and big data analyses will become the central task. Data standardization, accumulation, modeling and disease prediction are crucial for future exploit of these data. Meanwhile, the information property in these data, and the functional verification with culture-dependent and culture-independent experiments remain the focus in future research. Studies of human microbiome will bring a better understanding of the relations between the human body and the microbiome, especially in the context of disease diagnosis and therapy, which promise rich research opportunities.