Effects of Jigsaw Cooperative Learning and Animation Techniques on Students' Understanding of Chemical Bonding and Their Conceptions of the Particulate Nature of Matter

Science.gov (United States)

Karacop, Ataman; Doymus, Kemal

2013-04-01

The aim of this study was to determine the effect of jigsaw cooperative learning and computer animation techniques on academic achievements of first year university students attending classes in which the unit of chemical bonding is taught within the general chemistry course and these students' learning of the particulate nature of matter of this unit. The sample of this study consisted of 115 first-year science education students who attended the classes in which the unit of chemical bonding was taught in a university faculty of education during the 2009-2010 academic year. The data collection instruments used were the Test of Scientific Reasoning, the Purdue Spatial Visualization Test: Rotations, the Chemical Bonding Academic Achievement Test, and the Particulate Nature of Matter Test in Chemical Bonding (CbPNMT). The study was carried out in three different groups. One of the groups was randomly assigned to the jigsaw group, the second was assigned to the animation group (AG), and the third was assigned to the control group, in which the traditional teaching method was applied. The data obtained with the instruments were evaluated using descriptive statistics, one-way ANOVA, and MANCOVA. The results indicate that the teaching of chemical bonding via the animation and jigsaw techniques was more effective than the traditional teaching method in increasing academic achievement. In addition, according to findings from the CbPNMT, the students from the AG were more successful in terms of correct understanding of the particulate nature of matter.

Chemical behaviour of transuranic elements in the natural environment

International Nuclear Information System (INIS)

Kim, J.I.

1991-01-01

The chemical behaviour of transuranic elements in natural aquifer systems is governed by a variety of geochemical reactions, such as dissolution reaction (solubility), hydrolysis, complexation with inorganics or organics, redox reaction, colloid formation, geochemical interaction with surfaces of various minerals, coprecipitation, mineralisation etc. This paper reviews the present state of knowledge on some of these particular reactions. The emphasis is placed on how the individual reactions can be appraised for the long-term prediction of the geochemical behaviour of transuranic elements in the natural environment. Of the various reactions, the primary thermodynamic processes of dissolution of transuranic compounds in aquatic solution, complexation with important anions present in groundwater and colloid generation are discussed with notable examples. Various laser spectroscopy in use for the chemical speciation are mentioned briefly as for their spectroscopic capability as well as applicability. The present review discussion is primarily directed to a better understanding of the migration behaviour of transuranic elements in natural aquifer systems. (author) 100 refs

Nature's chemical signatures in human olfaction: a foodborne perspective for future biotechnology.

Science.gov (United States)

Dunkel, Andreas; Steinhaus, Martin; Kotthoff, Matthias; Nowak, Bettina; Krautwurst, Dietmar; Schieberle, Peter; Hofmann, Thomas

2014-07-07

The biocatalytic production of flavor naturals that determine chemosensory percepts of foods and beverages is an ever challenging target for academic and industrial research. Advances in chemical trace analysis and post-genomic progress at the chemistry-biology interface revealed odor qualities of nature's chemosensory entities to be defined by odorant-induced olfactory receptor activity patterns. Beyond traditional views, this review and meta-analysis now shows characteristic ratios of only about 3 to 40 genuine key odorants for each food, from a group of about 230 out of circa 10 000 food volatiles. This suggests the foodborn stimulus space has co-evolved with, and roughly match our circa 400 olfactory receptors as best natural agonists. This perspective gives insight into nature's chemical signatures of smell, provides the chemical odor codes of more than 220 food samples, and beyond addresses industrial implications for producing recombinants that fully reconstruct the natural odor signatures for use in flavors and fragrances, fully immersive interactive virtual environments, or humanoid bioelectronic noses. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Chemical Affinity as Material Agency for Naturalizing Contextual Meaning

Directory of Open Access Journals (Sweden)

Koichiro Matsuno

2012-01-01

Full Text Available Chemical affinity involves the integration of two different types of interaction. One is the interaction operating between a pair of reactants while forming a chemical bond, and the other is the prior interaction between those reactants when they identify a reaction partner. The context of the environments under which chemical reactions proceed is identified by the interaction of the participating chemical reactants themselves unless the material process of internal measurement is substituted by theoretical artifacts in the form of imposed boundary conditions, as in the case, for example, of thermal equilibrium. The identification-interaction specific to each local participant serves as a preparation for the making of chemical bonds. The identification-interaction is intrinsically selective in precipitating those chemical bonds that are synthesized most rapidly among possible reactions. Once meta-stable products appear that mediate chemical syntheses and their partial decompositions without totally decomposing, those products would become selective because of their ongoing participation in the identification-interaction. One important natural example must have been the origin and evolution of life on Earth.

The natural history of congenitally corrected transposition of the great arteries.

Science.gov (United States)

Huhta, James

2011-01-01

The natural history of congenitally corrected transposition of the great arteries is of clinical/surgical importance once the fetus is born without heart block or signs of heart failure. Without significant tricuspid valve malformation, associated defects such as ventricular septal defect and left ventricular outflow obstruction can be repaired surgically. The mortality and long-term outcome appear to be linked strongly with the severity of tricuspid valve regurgitation. Some patients with an intact ventricular septum and no right ventricular dysfunction will live long lives without detection, and some women will successfully complete pregnancy.

Exploring the Potential for Using Inexpensive Natural Reagents Extracted from Plants to Teach Chemical Analysis

Science.gov (United States)

Hartwell, Supaporn Kradtap

2012-01-01

A number of scientific articles report on the use of natural extracts from plants as chemical reagents, where the main objective is to present the scientific applications of those natural plant extracts. The author suggests that natural reagents extracted from plants can be used as alternative low cost tools in teaching chemical analysis,…

Interactions between toxic chemicals and natural environmental factors--a meta-analysis and case studies.

Science.gov (United States)

Laskowski, Ryszard; Bednarska, Agnieszka J; Kramarz, Paulina E; Loureiro, Susana; Scheil, Volker; Kudłek, Joanna; Holmstrup, Martin

2010-08-15

The paper addresses problems arising from effects of natural environmental factors on toxicity of pollutants to organisms. Most studies on interactions between toxicants and natural factors, including those completed in the EU project NoMiracle (Novel Methods for Integrated Risk Assessment of Cumulative Stressors in Europe) described herein, showed that effects of toxic chemicals on organisms can differ vastly depending purely on external conditions. We compiled data from 61 studies on effects of temperature, moisture and dissolved oxygen on toxicity of a range of chemicals representing pesticides, polycyclic aromatic hydrocarbons, plant protection products of bacterial origin and trace metals. In 62.3% cases significant interactions (pnatural factors and chemicals were found, reaching 100% for the effect of dissolved oxygen on toxicity of waterborne chemicals. The meta-analysis of the 61 studies showed that the null hypothesis assuming no interactions between toxic chemicals and natural environmental factors should be rejected at p=2.7 x 10(-82) (truncated product method probability). In a few cases of more complex experimental designs, also second-order interactions were found, indicating that natural factors can modify interactions among chemicals. Such data emphasize the necessity of including information on natural factors and their variation in time and across geographic regions in ecological risk assessment. This can be done only if appropriate ecotoxicological test designs are used, in which test organisms are exposed to toxicants at a range of environmental conditions. We advocate designing such tests for the second-tier ecological risk assessment procedures. Copyright 2010 Elsevier B.V. All rights reserved.

Chemical nature of catalysts of oxide nanoparticles in environment ...

Indian Academy of Sciences (India)

12

Chemical nature of catalysts of oxide nanoparticles in environment prevailing during growth of carbon nanostructures by CCVD. M. Jana*, A. Sil and S. Ray. †. Department of Metallurgical and Materials Engineering. Indian Institute of Technology Roorkee. Roorkee 247 667, India. Present address: *School of Materials ...

Understanding the triple nature of the chemical bond on submicroscopic level

OpenAIRE

Klun, Tina

2017-01-01

The master’s thesis addresses three definitions of chemical bond with particular emphasis on the sub-microscopic level in a comprehensive manner. Slovenian pupils are taught about chemical bond for the first time in the eighth grade of primary school as part of learning about the connection between particles. Due to the abstract nature of the notion chemical bond, it is essential that pupils are encouraged to learn about the topic on the macroscopic, sub microscopic and symbolic level as this...

Purification process of natural graphite as anode for Li-ion batteries: chemical versus thermal

Science.gov (United States)

Zaghib, K.; Song, X.; Guerfi, A.; Rioux, R.; Kinoshita, K.

The intercalation of Li ions in natural graphite that was purified by chemical and thermal processes was investigated. A new chemical process was developed that involved a mixed aqueous solution containing 30% H 2SO 4 and 30% NH xF y heated to 90 °C. The results of this process are compared to those obtained by heating the natural graphite from 1500 to 2400 °C in an inert environment (thermal process). The first-cycle coulombic efficiency of the purified natural graphite obtained by the chemical process is 91 and 84% after the thermal process at 2400 °C. Grinding the natural graphite before or after purification had no significant effect on electrochemical performance at low currents. However, grinding to a very small particle size before purification permitted optimization of the size distribution of the particles, which gives rise to a more homogenous electrode. The impurities in the graphite play a role as microabrasion agents during grinding which enhances its hardness and improves its mechanical properties. Grinding also modifies the particle morphology from a 2- to a 3-D structure (similar in shape to a potato). This potato-shaped natural graphite shows high reversible capacity at high current densities (about 90% at 1 C rate). Our analysis suggests that thermal processing is considerably more expensive than the chemical process to obtain purified natural graphite.

Effect of natural and chemical insecticides on Hyalopterus pruni and ...

African Journals Online (AJOL)

STORAGESEVER

2008-06-17

Jun 17, 2008 ... Anthmis pseudocotula and their mixtures with chemical insecticide (Malathion) on growth of ... ed the use of natural extracts of Fagonia arabica, Salix ..... Studies on the efficacy of neem products against the aphid Aphis.

Comparative analysis of chemical similarity methods for modular natural products with a hypothetical structure enumeration algorithm.

Science.gov (United States)

Skinnider, Michael A; Dejong, Chris A; Franczak, Brian C; McNicholas, Paul D; Magarvey, Nathan A

2017-08-16

Natural products represent a prominent source of pharmaceutically and industrially important agents. Calculating the chemical similarity of two molecules is a central task in cheminformatics, with applications at multiple stages of the drug discovery pipeline. Quantifying the similarity of natural products is a particularly important problem, as the biological activities of these molecules have been extensively optimized by natural selection. The large and structurally complex scaffolds of natural products distinguish their physical and chemical properties from those of synthetic compounds. However, no analysis of the performance of existing methods for molecular similarity calculation specific to natural products has been reported to date. Here, we present LEMONS, an algorithm for the enumeration of hypothetical modular natural product structures. We leverage this algorithm to conduct a comparative analysis of molecular similarity methods within the unique chemical space occupied by modular natural products using controlled synthetic data, and comprehensively investigate the impact of diverse biosynthetic parameters on similarity search. We additionally investigate a recently described algorithm for natural product retrobiosynthesis and alignment, and find that when rule-based retrobiosynthesis can be applied, this approach outperforms conventional two-dimensional fingerprints, suggesting it may represent a valuable approach for the targeted exploration of natural product chemical space and microbial genome mining. Our open-source algorithm is an extensible method of enumerating hypothetical natural product structures with diverse potential applications in bioinformatics.

Chemical short range order and magnetic correction in liquid manganese–gallium zero alloy

Energy Technology Data Exchange (ETDEWEB)

Grosdidier, B. [Laboratoire de Chimie Physique – Approche Multi-Echelle des Milieux Complexes, Institut Jean Bariol, Université de Lorraine, Institut de Chimie, Physique et Matériaux, 1 Bd Arago, 57078 Metz Cedex 3 (France); Ben Abdellah, A. [Laboratoire de Chimie Physique – Approche Multi-Echelle des Milieux Complexes, Institut Jean Bariol, Université de Lorraine, Institut de Chimie, Physique et Matériaux, 1 Bd Arago, 57078 Metz Cedex 3 (France); Innovation and Management of Industrial Systems, Abdelmalek Essaadi University, College of Sciences and Techniques of Tangier , P.O. Box 416, Postal code 90000, Tangier (Morocco); Université Internationale de Rabat, Parc Technopolis Rabat-Shore, 11100 Sala El Jadida (Morocco); Osman, S.M., E-mail: osm@squ.edu.om [Physics Department, College of Science, Sultan Qaboos University, P.O. Box 36, Postal Code 123, Al-Khod, Muscat (Oman); Ataati, J. [Innovation and Management of Industrial Systems, Abdelmalek Essaadi University, College of Sciences and Techniques of Tangier, P.O. Box 416, Postal code 90000, Tangier (Morocco); Gasser, J.G. [Laboratoire de Chimie Physique – Approche Multi-Echelle des Milieux Complexes, Institut Jean Bariol, Université de Lorraine, Institut de Chimie, Physique et Matériaux, 1 Bd Arago, 57078 Metz Cedex 3 (France)

2015-12-15

The Mn{sub 66}Ga{sub 34} alloy at this particular composition is known to be zero alloy in which the linear combination of the two neutron scattering lengths weighted by the atomic compositions vanish. Thus for this specific concentration, the effect of the partial structure factors S{sub NN} and S{sub NC} is cancelled by a weighted term, which value is zero. Then the measured total structure factor S(q) gives directly the concentration–concentration structure factor S{sub CC}(q). We present here the first experimental results of neutron diffraction on the Mn{sub 66}Ga{sub 34} “null matrix alloy” at 1050 °C. The main peak of the experimental S{sub CC}(q) gives a strong evidence of a hetero-atomic chemical order in this coordinated alloy. This order also appears in real space radial distribution function which is calculated by the Fourier transform of the structure factor. The degree of hetero-coordination is discussed together with other manganese-polyvalent alloys. However manganese also shows abnormal magnetic scattering in the alloy structure factor which must be corrected. This correction gives an experimental information on the mean effective spin of manganese in this liquid alloy. We present the first critical theoretical calculations of the magnetic correction factor in Mn–Ga zero-alloy based on our accurate experimental measurements of S{sub CC}(q).

Spin-orbit ZORA and four-component Dirac-Coulomb estimation of relativistic corrections to isotropic nuclear shieldings and chemical shifts of noble gas dimers.

Science.gov (United States)

Jankowska, Marzena; Kupka, Teobald; Stobiński, Leszek; Faber, Rasmus; Lacerda, Evanildo G; Sauer, Stephan P A

2016-02-05

Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for nonrelativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton, and xenon dimers and free atoms. Relativistic corrections were calculated with the scalar and spin-orbit zeroth-order regular approximation Hamiltonian in combination with the large Slater-type basis set QZ4P as well as with the four-component Dirac-Coulomb Hamiltonian using Dyall's acv4z basis sets. The relativistic corrections to the nuclear magnetic shieldings and chemical shifts are combined with nonrelativistic coupled cluster singles and doubles with noniterative triple excitations [CCSD(T)] calculations using the very large polarization-consistent basis sets aug-pcSseg-4 for He, Ne and Ar, aug-pcSseg-3 for Kr, and the AQZP basis set for Xe. For the dimers also, zero-point vibrational (ZPV) corrections are obtained at the CCSD(T) level with the same basis sets were added. Best estimates of the dimer chemical shifts are generated from these nuclear magnetic shieldings and the relative importance of electron correlation, ZPV, and relativistic corrections for the shieldings and chemical shifts is analyzed. © 2015 Wiley Periodicals, Inc.

Perturbative study of the QCD phase diagram for heavy quarks at nonzero chemical potential: Two-loop corrections

Science.gov (United States)

Maelger, J.; Reinosa, U.; Serreau, J.

2018-04-01

We extend a previous investigation [U. Reinosa et al., Phys. Rev. D 92, 025021 (2015), 10.1103/PhysRevD.92.025021] of the QCD phase diagram with heavy quarks in the context of background field methods by including the two-loop corrections to the background field effective potential. The nonperturbative dynamics in the pure-gauge sector is modeled by a phenomenological gluon mass term in the Landau-DeWitt gauge-fixed action, which results in an improved perturbative expansion. We investigate the phase diagram at nonzero temperature and (real or imaginary) chemical potential. Two-loop corrections yield an improved agreement with lattice data as compared to the leading-order results. We also compare with the results of nonperturbative continuum approaches. We further study the equation of state as well as the thermodynamic stability of the system at two-loop order. Finally, using simple thermodynamic arguments, we show that the behavior of the Polyakov loops as functions of the chemical potential complies with their interpretation in terms of quark and antiquark free energies.

Corrected simulations for one-dimensional diffusion processes with naturally occurring boundaries.

Science.gov (United States)

Shafiey, Hassan; Gan, Xinjun; Waxman, David

2017-11-01

To simulate a diffusion process, a usual approach is to discretize the time in the associated stochastic differential equation. This is the approach used in the Euler method. In the present work we consider a one-dimensional diffusion process where the terms occurring, within the stochastic differential equation, prevent the process entering a region. The outcome is a naturally occurring boundary (which may be absorbing or reflecting). A complication occurs in a simulation of this situation. The term involving a random variable, within the discretized stochastic differential equation, may take a trajectory across the boundary into a "forbidden region." The naive way of dealing with this problem, which we refer to as the "standard" approach, is simply to reset the trajectory to the boundary, based on the argument that crossing the boundary actually signifies achieving the boundary. In this work we show, within the framework of the Euler method, that such resetting introduces a spurious force into the original diffusion process. This force may have a significant influence on trajectories that come close to a boundary. We propose a corrected numerical scheme, for simulating one-dimensional diffusion processes with naturally occurring boundaries. This involves correcting the standard approach, so that an exact property of the diffusion process is precisely respected. As a consequence, the proposed scheme does not introduce a spurious force into the dynamics. We present numerical test cases, based on exactly soluble one-dimensional problems with one or two boundaries, which suggest that, for a given value of the discrete time step, the proposed scheme leads to substantially more accurate results than the standard approach. Alternatively, the standard approach needs considerably more computation time to obtain a comparable level of accuracy to the proposed scheme, because the standard approach requires a significantly smaller time step.

Natural Alternatives for Chemicals Used in Histopathology Lab- A Literature Review.

Science.gov (United States)

Ramamoorthy, Ananthalakshmi; Ravi, Shivani; Jeddy, Nadeem; Thangavelu, Radhika; Janardhanan, Sunitha

2016-11-01

Histopathology lab is the place where the specimen gets processed and stained to view under microscope for interpretation. Exposure to the chemicals used in these processes cause various health hazards to the laboratory technicians, pathologists, and scientists working in the laboratory. Hence, there is a dire need to introduce healthy and bio-friendly alternatives in the field. This literature review explores the natural products and their efficiency to be used as alternatives for chemicals in the histopathology lab.

Chemically reduced graphene contains inherent metallic impurities present in parent natural and synthetic graphite

Science.gov (United States)

Ambrosi, Adriano; Chua, Chun Kiang; Khezri, Bahareh; Sofer, Zdeněk; Webster, Richard D.; Pumera, Martin

2012-01-01

Graphene-related materials are in the forefront of nanomaterial research. One of the most common ways to prepare graphenes is to oxidize graphite (natural or synthetic) to graphite oxide and exfoliate it to graphene oxide with consequent chemical reduction to chemically reduced graphene. Here, we show that both natural and synthetic graphite contain a large amount of metallic impurities that persist in the samples of graphite oxide after the oxidative treatment, and chemically reduced graphene after the chemical reduction. We demonstrate that, despite a substantial elimination during the oxidative treatment of graphite samples, a significant amount of impurities associated to the chemically reduced graphene materials still remain and alter their electrochemical properties dramatically. We propose a method for the purification of graphenes based on thermal treatment at 1,000 °C in chlorine atmosphere to reduce the effect of such impurities on the electrochemical properties. Our findings have important implications on the whole field of graphene research. PMID:22826262

Chemically reduced graphene contains inherent metallic impurities present in parent natural and synthetic graphite.

Science.gov (United States)

Ambrosi, Adriano; Chua, Chun Kiang; Khezri, Bahareh; Sofer, Zdeněk; Webster, Richard D; Pumera, Martin

2012-08-07

Graphene-related materials are in the forefront of nanomaterial research. One of the most common ways to prepare graphenes is to oxidize graphite (natural or synthetic) to graphite oxide and exfoliate it to graphene oxide with consequent chemical reduction to chemically reduced graphene. Here, we show that both natural and synthetic graphite contain a large amount of metallic impurities that persist in the samples of graphite oxide after the oxidative treatment, and chemically reduced graphene after the chemical reduction. We demonstrate that, despite a substantial elimination during the oxidative treatment of graphite samples, a significant amount of impurities associated to the chemically reduced graphene materials still remain and alter their electrochemical properties dramatically. We propose a method for the purification of graphenes based on thermal treatment at 1,000 °C in chlorine atmosphere to reduce the effect of such impurities on the electrochemical properties. Our findings have important implications on the whole field of graphene research.

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

Naturally etched tracks in apatites and the correction of fission track dating

CERN Document Server

Tien, J L

1999-01-01

Naturally etched tracks have been found in apatites from the rapid cooled, high-level Kunon pluton in the Zhangzhou Igneous Complex, SE China. This is manifested by the fact that the apatite fission track (FT) age derived from conventional counting of spontaneous and induced tracks yields a result of 140.6+-6.5 Ma, which is much older than the ages determined using other methods on different minerals from the same rock. When tracks are observed after etching the polished inner sections of the apatite grains, the naturally etched tracks characterized by having hazy boundaries can be distinguished from the normal tracks with sharp boundaries. The age obtained by omitting these fading-resistant hazy tracks, 76.5+-4.0 Ma, indicates the time of the Kunon pluton cooling down to approx 100 deg. C. The corrected peak age (73.8 Ma) is consistent with the other apatite FT peak ages (79.2 to 70.2 Ma) of the nearly contemporaneous plutons in the same igneous complex.

Correcting ligands, metabolites, and pathways

Directory of Open Access Journals (Sweden)

Vriend Gert

2006-11-01

Full Text Available Abstract Background A wide range of research areas in bioinformatics, molecular biology and medicinal chemistry require precise chemical structure information about molecules and reactions, e.g. drug design, ligand docking, metabolic network reconstruction, and systems biology. Most available databases, however, treat chemical structures more as illustrations than as a datafield in its own right. Lack of chemical accuracy impedes progress in the areas mentioned above. We present a database of metabolites called BioMeta that augments the existing pathway databases by explicitly assessing the validity, correctness, and completeness of chemical structure and reaction information. Description The main bulk of the data in BioMeta were obtained from the KEGG Ligand database. We developed a tool for chemical structure validation which assesses the chemical validity and stereochemical completeness of a molecule description. The validation tool was used to examine the compounds in BioMeta, showing that a relatively small number of compounds had an incorrect constitution (connectivity only, not considering stereochemistry and that a considerable number (about one third had incomplete or even incorrect stereochemistry. We made a large effort to correct the errors and to complete the structural descriptions. A total of 1468 structures were corrected and/or completed. We also established the reaction balance of the reactions in BioMeta and corrected 55% of the unbalanced (stoichiometrically incorrect reactions in an automatic procedure. The BioMeta database was implemented in PostgreSQL and provided with a web-based interface. Conclusion We demonstrate that the validation of metabolite structures and reactions is a feasible and worthwhile undertaking, and that the validation results can be used to trigger corrections and improvements to BioMeta, our metabolite database. BioMeta provides some tools for rational drug design, reaction searches, and

Chemical speciation of Pu in natural waters

International Nuclear Information System (INIS)

Nelson, D.M.; Larsen, R.P.; Penrose, W.R.

1983-01-01

The behavior of plutonium in natural waters is determined to a major degree by the chemical forms which are present. We have characterized the ambient Pu in a number of surface waters with regard to its oxidation state and association with natural colloidal organic carbon compounds using a combination of field measurements and laboratory experiments. Both of these factors are shown to have a profound effect on the adsorption of Pu to natural sediments, since both complexation with organic matter and oxidation compete with adsorption. The concentration of organic carbon in the water is the key variable influencing both oxidation state and organic binding. The adsorption process conforms to the laws applicable to a reversible equilibrium with values of the distribution coefficient, K/sub D/, measured in laboratory experiments being similar to those observed for ambient Pu. Experiments using natural waters and sediments in which the Pu concentration was varied show the forms present at typical ambient concentrations (10 -17 - 10 -14 M) are the same as those found at concentrations up to 10 -7 M. Moreover, the affinity for sediments did not change with concentration indicating the binding sites for Pu had not become saturated. Thus, the behavior observed for Pu at ultratrace concentrations should remain unchanged throughout this concentration range. The studies in this report all deal with Pu in exchangeable (and hence source independent) forms and should therefore reflect the behavior toward which the plutonium from any source will tend with time. 13 references, 7 figures, 10 tables

Natural mineral waters: chemical characteristics and health effects

Science.gov (United States)

Quattrini, Sara; Pampaloni, Barbara; Brandi, Maria Luisa

2016-01-01

Summary Water contributes significantly to health and a daily intake of 1.5 to 2 liters of water should be guaranteed, because a good hydration is essential to maintain the body water equilibrium, although needs may vary among people. However, worldwide population is far from the Recommended Allowance for water intake. Among the waters for human uses, there are ‘waters (treated or not), intended for drinking, used for the food and beverages preparation or for other domestic purposes’ and natural mineral waters, that are ‘originated from an aquifer or underground reservoir, spring from one or more natural or bore sources and have specific hygienic features and, eventually, healthy properties’. According to the European Legislation (2009/54/EC Directive), physical and chemical characterization is used to make a classification of the different mineral waters, basing on the analysis of main parameters. Mineral composition enables to classify natural mineral waters as bicarbonate mineral waters, sulphate mineral waters, chloride mineral waters, calcic mineral waters, magnesiac mineral waters, fluorurate mineral waters, ferrous mineral waters and sodium-rich mineral waters. Although the concerns about bottled mineral waters (due to plasticizers and endocrine disruptors), many are the health effects of natural mineral waters and several studies explored their properties and their role in different physiological and pathological conditions. PMID:28228777

Trends in the analysis of natural gas by capillary gas chromatography

NARCIS (Netherlands)

Cramers, C.A.M.G.; Rossum, van G.J.

1986-01-01

The importance of correct determination of physical and chemical properties of natural gas is evident. The calculation of calorific value or hydrocarbon dew point requires detailed analysis as can be provided by gas chromatography. Analysis by gas chromatography is a necessary complement to direct

Estimating the residential demand function for natural gas in Seoul with correction for sample selection bias

International Nuclear Information System (INIS)

Yoo, Seung-Hoon; Lim, Hea-Jin; Kwak, Seung-Jun

2009-01-01

Over the last twenty years, the consumption of natural gas in Korea has increased dramatically. This increase has mainly resulted from the rise of consumption in the residential sector. The main objective of the study is to estimate households' demand function for natural gas by applying a sample selection model using data from a survey of households in Seoul. The results show that there exists a selection bias in the sample and that failure to correct for sample selection bias distorts the mean estimate, of the demand for natural gas, downward by 48.1%. In addition, according to the estimation results, the size of the house, the dummy variable for dwelling in an apartment, the dummy variable for having a bed in an inner room, and the household's income all have positive relationships with the demand for natural gas. On the other hand, the size of the family and the price of gas negatively contribute to the demand for natural gas. (author)

Natural radiation sources fabricated from potassic chemical fertilizers and application to radiation education

International Nuclear Information System (INIS)

Kawano, Takao

2010-01-01

Potassic chemical fertilizers contain potassium, a small part of which is potassium-40. Since potassium-40 is a naturally occurring radioisotope, potassic chemical fertilizers are often used for demonstrations of the existence of natural radioisotopes and radiation. To fabricate radiation sources as educational tools, the compression and formation method developed by our previous study was applied to 13 brands of commercially available chemical fertilizers containing different amounts of potassium. The suitability (size, weight, and solidness) of thus fabricated sources was examined and 12 of them were selected as easy-to-use radiation sources at radiation educational courses. The radiation strength (radiation count rate measured by a GM survey meter) and potassium content of the 12 sources were examined. It was found that the count rate was wholly proportional to the percentage of potassium, and a new educational application was proposed and discussed for understanding that the substance emitting radiation must be the potassium present in the raw fertilizers. (author)

Natural control in cabbage root fly populations and influence of chemicals

NARCIS (Netherlands)

Abu Yaman, I.K.

1960-01-01

To facilitate studies on the natural and chemical control of Hylemya (Erioischia) brassicae (Bch.) in Holland, the bionomics and abundance of the Anthomyiid were investigated in 1959-9 in fields in which cauliflower was grown. The numbers of eggs and larvae were estimated by scrutiny of

How prevalent is chemical hormesis in the natural and experimental worlds?

Energy Technology Data Exchange (ETDEWEB)

Mushak, Paul, E-mail: pandbmushak@cs.com

2013-01-15

Hormesis is described as a biological phenomenon showing bidirectional (biphasic) responses to chemical or other stressors: stimulation at low doses and inhibition at high doses or vice-versa. The label applies to either radiation or chemical hormesis. This review addresses certain critical but persisting quantitative questions about chemical hormesis. For example, what is its actual generalizability in nature? Is hormesis generalizable enough to figure in risk analysis and regulatory efforts within human or ecological toxicant exposures? No evidence exists to show that chemical hormesis is a universally distributed biological phenomenon within some law, rule or principle (100% frequency) nor is there a reliable and consistent body of evidence that leads to identifying some significant and reproducible value for frequency of occurrence below the universality standard, i.e., < 100% frequency. Lack of reliable and/or consistent evidence arises from diverse limits to study methods, i.e., methods were post-hoc evaluations of published data gathered for other purposes and using ad-hoc characterization approaches, rather than doing new studies. The literature selected for generalizability analyses has not been systematically pre-evaluated as a scientifically reliable representation of hormesis frequency in nature. Furthermore, database evaluations have used certain criteria not validated for this specific purpose, so that metric and what was measured are objects of scrutiny and ambiguity. Finally, simultaneous estimates of frequency of non-hormetic dose–response relationships, required for reliable determinations of hormesis frequency, were not done in these analyses. Chemical hormesis frequency estimates vary with conditions for characterization. For all these reasons, chemical hormesis still has limited use in health policy and regulatory thinking. - Highlights: ► Hormesis is not a universally distributed biological phenomenon (100% frequency). ► There is also no

How prevalent is chemical hormesis in the natural and experimental worlds?

International Nuclear Information System (INIS)

Mushak, Paul

2013-01-01

Hormesis is described as a biological phenomenon showing bidirectional (biphasic) responses to chemical or other stressors: stimulation at low doses and inhibition at high doses or vice-versa. The label applies to either radiation or chemical hormesis. This review addresses certain critical but persisting quantitative questions about chemical hormesis. For example, what is its actual generalizability in nature? Is hormesis generalizable enough to figure in risk analysis and regulatory efforts within human or ecological toxicant exposures? No evidence exists to show that chemical hormesis is a universally distributed biological phenomenon within some law, rule or principle (100% frequency) nor is there a reliable and consistent body of evidence that leads to identifying some significant and reproducible value for frequency of occurrence below the universality standard, i.e., < 100% frequency. Lack of reliable and/or consistent evidence arises from diverse limits to study methods, i.e., methods were post-hoc evaluations of published data gathered for other purposes and using ad-hoc characterization approaches, rather than doing new studies. The literature selected for generalizability analyses has not been systematically pre-evaluated as a scientifically reliable representation of hormesis frequency in nature. Furthermore, database evaluations have used certain criteria not validated for this specific purpose, so that metric and what was measured are objects of scrutiny and ambiguity. Finally, simultaneous estimates of frequency of non-hormetic dose–response relationships, required for reliable determinations of hormesis frequency, were not done in these analyses. Chemical hormesis frequency estimates vary with conditions for characterization. For all these reasons, chemical hormesis still has limited use in health policy and regulatory thinking. - Highlights: ► Hormesis is not a universally distributed biological phenomenon (100% frequency). ► There is also no

Target identification of natural and traditional medicines with quantitative chemical proteomics approaches.

Science.gov (United States)

Wang, Jigang; Gao, Liqian; Lee, Yew Mun; Kalesh, Karunakaran A; Ong, Yong Siang; Lim, Jaehong; Jee, Joo-Eun; Sun, Hongyan; Lee, Su Seong; Hua, Zi-Chun; Lin, Qingsong

2016-06-01

Natural and traditional medicines, being a great source of drugs and drug leads, have regained wide interests due to the limited success of high-throughput screening of compound libraries in the past few decades and the recent technology advancement. Many drugs/bioactive compounds exert their functions through interaction with their protein targets, with more and more drugs showing their ability to target multiple proteins, thus target identification has an important role in drug discovery and biomedical research fields. Identifying drug targets not only furthers the understanding of the mechanism of action (MOA) of a drug but also reveals its potential therapeutic applications and adverse side effects. Chemical proteomics makes use of affinity chromatography approaches coupled with mass spectrometry to systematically identify small molecule-protein interactions. Although traditional affinity-based chemical proteomics approaches have made great progress in the identification of cellular targets and elucidation of MOAs of many bioactive molecules, nonspecific binding remains a major issue which may reduce the accuracy of target identification and may hamper the drug development process. Recently, quantitative proteomics approaches, namely, metabolic labeling, chemical labeling, or label-free approaches, have been implemented in target identification to overcome such limitations. In this review, we will summarize and discuss the recent advances in the application of various quantitative chemical proteomics approaches for the identification of targets of natural and traditional medicines. Copyright © 2016. Published by Elsevier Inc.

Phase I Focused Corrective Measures Study/Feasibility Study for the L-Area Oil and Chemical Basin (904-83G)

Energy Technology Data Exchange (ETDEWEB)

Palmer, E. [Westinghouse Savannah River Company, AIKEN, SC (United States)

1997-02-01

This report presents the completed Resource Conservation and Recovery Act (RCRA) Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) Focused Corrective Measures Study/Feasibility Study (CMS/FS) for the L-Area Oil and Chemical Basin (LAOCB)/L-Area Acid Caustic Basin (9LAACB) Solid Waste Management Unit/Operable Unit (SWMU/OU) at the Savannah River Site (SRS).

Chemical deacetylation natural xanthan (Jungbunzlauer®

Directory of Open Access Journals (Sweden)

Ellen P. Pinto

2011-01-01

Full Text Available With the aim of adapting a method for removal of acetyl groups from xanthan, reactions of chemical deacetylation were carried out with natural xanthan (Jungbunzlauer® with variations on the following parameters: biopolymer and alkali concentration (sodium and potassium hydroxide. The deacetylation reaction was performed at 25 ºC for three hours. The proposed methodology was efficient to promote the deacetylation reaction. The viscosity of xanthan increased when the alkali concentration was higher in the deacetylation reaction. Xanthan concentration in the solution used in the deacetylation reaction did not influence the solutions viscosity, as similar results in both tested biopolymer concentrations (0.5 and 1% were obtained for all experiments in different shear rates. Deacetylation reactions at 25 ºC for three hours with sodium and potassium hydroxide in 0.01 mol.L-1 showed a viscosity of 410 and 420 mPa.s at 10 s-1 and acetylation degree 1.3 e 1.4%, respectively.

RE: Request for Correction, Technical Support Document, Greenhouse Gas Emissions Reporting from the Petroleum and Natural Gas Industry

Science.gov (United States)

The Industrial Energy Consumers of America (IECA) joins the U.S. Chamber of Commerce in its request for correction of information developed by the Environmental Protection Agency (EPA) in a background technical support document titled Greenhouse Gas Emissions Reporting from the Petroleum and Natural Gas Industry

Mechanical properties of uniaxial natural fabric Grewia tilifolia reinforced epoxy based composites: Effects of chemical treatment

CSIR Research Space (South Africa)

Jayaramudu, J

2014-07-01

Full Text Available The effects of chemical treatment on the mechanical, morphological, and chemical resistance properties of uniaxial natural fabrics, Grewia tilifolia/epoxy composites, were studied. In order to enhance the interfacial bonding between the epoxy matrix...

Physical and chemical investigations on natural dyes

Science.gov (United States)

Acquaviva, S.; D'Anna, E.; de Giorgi, M. L.; Della Patria, A.; Baraldi, P.

2010-09-01

Natural dyes have been used extensively in the past for many purposes, such us to colour fibers and to produce inks, watercolours and paints, but their use declined rapidly after the discovery of synthetic colours. Nowadays we witness a renewed interest, as natural dyes are neither toxic nor polluting. In this work, physical and chemical properties of four selected dyes, namely red (Madder), yellow (Weld and Turmeric) and blue (Woad) colours, produced by means of traditional techniques at the Museo dei Colori Naturali (Lamoli, Italy), have been investigated. The chromatic properties have been studied through the reflectance spectroscopy, a non-invasive technique for the characterisation of chromaticity. Reflection spectra both from powders and egg-yolk tempera models have been acquired to provide the typical features of the dyes in the UV-vis spectral range. Moreover, to assess the feasibility of laser cleaning procedures, tempera layers were investigated after irradiation with an excimer laser. Micro Raman spectroscopy, Scanning Electron Microscopy and Energy Dispersive X-Ray analyses have complemented the survey, returning compositional and morphological information as well. Efforts have been made to give scientific feedback to the production processes and to support the research activity in the restoration of the artworks where these dyes were employed.

Natural Ores as Oxygen Carriers in Chemical Looping Combustion

Energy Technology Data Exchange (ETDEWEB)

Tian, Hanjing; Siriwardane, Ranjani; Simonyi, Thomas; Poston, James

2013-08-01

Chemical looping combustion (CLC) is a combustion technology that utilizes oxygen from oxygen carriers (OC), such as metal oxides, instead of air to combust fuels. The use of natural minerals as oxygen carriers has advantages, such as lower cost and availability. Eight materials, based on copper or iron oxides, were selected for screening tests of CLC processes using coal and methane as fuels. Thermogravimetric experiments and bench-scale fixed-bed reactor tests were conducted to investigate the oxygen transfer capacity, reaction kinetics, and stability during cyclic reduction/oxidation reaction. Most natural minerals showed lower combustion capacity than pure CuO/Fe{sub 2}O{sub 3} due to low-concentrations of active oxide species in minerals. In coal CLC, chryscolla (Cu-based), magnetite, and limonite (Fe-based) demonstrated better reaction performances than other materials. The addition of steam improved the coal CLC performance when using natural ores because of the steam gasification of coal and the subsequent reaction of gaseous fuels with active oxide species in the natural ores. In methane CLC, chryscolla, hematite, and limonite demonstrated excellent reactivity and stability in 50-cycle thermogravimetric analysis tests. Fe{sub 2}O{sub 3}-based ores possess greater oxygen utilization but require an activation period before achieving full performance in methane CLC. Particle agglomeration issues associated with the application of natural ores in CLC processes were also studied by scanning electron microscopy (SEM).

Operator quantum error-correcting subsystems for self-correcting quantum memories

International Nuclear Information System (INIS)

Bacon, Dave

2006-01-01

The most general method for encoding quantum information is not to encode the information into a subspace of a Hilbert space, but to encode information into a subsystem of a Hilbert space. Recently this notion has led to a more general notion of quantum error correction known as operator quantum error correction. In standard quantum error-correcting codes, one requires the ability to apply a procedure which exactly reverses on the error-correcting subspace any correctable error. In contrast, for operator error-correcting subsystems, the correction procedure need not undo the error which has occurred, but instead one must perform corrections only modulo the subsystem structure. This does not lead to codes which differ from subspace codes, but does lead to recovery routines which explicitly make use of the subsystem structure. Here we present two examples of such operator error-correcting subsystems. These examples are motivated by simple spatially local Hamiltonians on square and cubic lattices. In three dimensions we provide evidence, in the form a simple mean field theory, that our Hamiltonian gives rise to a system which is self-correcting. Such a system will be a natural high-temperature quantum memory, robust to noise without external intervening quantum error-correction procedures

Automatic color preference correction for color reproduction

Science.gov (United States)

Tsukada, Masato; Funayama, Chisato; Tajima, Johji

2000-12-01

The reproduction of natural objects in color images has attracted a great deal of attention. Reproduction more pleasing colors of natural objects is one of the methods available to improve image quality. We developed an automatic color correction method to maintain preferred color reproduction for three significant categories: facial skin color, green grass and blue sky. In this method, a representative color in an object area to be corrected is automatically extracted from an input image, and a set of color correction parameters is selected depending on the representative color. The improvement in image quality for reproductions of natural image was more than 93 percent in subjective experiments. These results show the usefulness of our automatic color correction method for the reproduction of preferred colors.

The Use of Natural Pozzolan in Concrete as an Additive or Substitute for Cement

Science.gov (United States)

2011-12-01

identified opal and chert as the common forms of reactive silica. ERDC/CERL TR-11-46 4 For cracking and expansion to result from the ASR, the following combi...chemical composition of three natural pozzolanic samples was deter- mined through XRD analysis. In addition to these analyses, several addi- tional tests...reflected angle, which results in an inaccurate plot. The correct angle is required to deter- mine the correct composition. A very finely ground sample

Processing and stabilization of Aloe Vera leaf gel by adding chemical and natural preservatives

Directory of Open Access Journals (Sweden)

N. Nazemi

2017-11-01

Full Text Available Background and objectives: Aloe vera has been used as a medicinal herb for thousands of years. Aloe vera leaves can be separated into latex and gel which have biological effects. Aloe gel is a potent source of polysaccharides. When the gel is exposed to air, it quickly decomposes and decays and loses most of its biological activity. There are various processing techniques for sterilizing and stabilizing the gel. The aim of this study was to improve stabilization of the gel by adding some chemical and natural preservatives. Methods: The gel was obtained from Aloe vera leaves and after some processing chemical and natural preservatives were added. Chemicals included citric acid, ascorbic acid, vitamin E and potassium sorbate while natural preservatives were two essential oils derived from Cinnamomum zeylanicum and Eugenia caryophyllata. All these operations were performed under sterile conditions and they were evaluated at different temperatures and times. Appearance and taste changes of gel were studied organoleptic. Microbiological tests and some physical assays such as pH, refractometry and viscosity properties as well as determination of total sugars were measured. NMR and FT-IR analyses were performed for determining the quality of samples. Results: After data analyzing, the results showed that the samples formulated with chemical additives together with essential oils were more suitable and stable compared to the control samples after 90 days and the effective ingredient acemannan, remained stable. Conclusion: The stable gel can be considered for therapeutic properties and be used for edible and medicinal purposes.

Study of sorption and desorption characteristics of natural and chemically modified ionexes

International Nuclear Information System (INIS)

Foeldesova, M.; Dillinger, P.; Lukac, P.

2004-01-01

The aim of this paper was give information for scientific community about not-traditionally, simply, high precise and effective radio-indicator method and possibilities its use for determination of sorption characteristics of naturals and chemically adjusted ionexes. These materials are suitable as barrier materials for water, soil and air cleaning

Chemical concentration of a new natural spontaneously fissionable nuclide from solutions with low salt background

International Nuclear Information System (INIS)

Korotkin, Yu.S.; Ter-Akop'yan, G.M.; Popeko, A.G.; Drobina, T.P.; Zhuravleva, E.L.

1982-01-01

The results of experiments on further concentration of a new natural spontaneously fissionable nuclide, the concentrates of which form the Cheleken geothermal brines have been obtained, are presented. The conclusions are drown about the chemical nature of a new spontaneously fissionable nuclide. It is a chalcophile element which copreipitates with sulphides of copper, lead, arsenic and mercury from weakly acid solutions. The behaviour of the new nuclide in sulphide systems in many respects is similar to the behaviour of polonium, astatine and probably of bismuth. The most probable stable valence of the new nuclide varies from +1 up to +3. The data available on the chemical behaviour of the new nuclide as well as the analysis over contamination by spontaneously fissionable isotopes permit to state that the new natural spontaneously fissionable nuclide does not relate to the known isotopes

An electrochemical study of natural and chemically controlled eumelanin

Science.gov (United States)

Xu, Ri; Prontera, Carmela Tania; Di Mauro, Eduardo; Pezzella, Alessandro; Soavi, Francesca; Santato, Clara

2017-12-01

Eumelanin is the most common form of the pigment melanin in the human body, with functions including antioxidant behavior, metal chelation, and free radical scavenging. This biopigment is of interest for biologically derived batteries and supercapacitors. In this work, we characterized the voltammetric properties of chemically controlled eumelanins produced from 5,6-dihydroxyindole (DHI) and 5,6-dihydroxyindole-2-carboxylic acid (DHICA) building blocks, namely, DHI-melanin, DHICA-melanin, and natural eumelanin, extracted from the ink sac of cuttlefish, Sepia melanin. Eumelanin electrodes were studied for their cyclic voltammetric properties in acidic buffers including Na+, K+, NH4+, and Cu2+ ions.

MNAtoolbox: A Monitored Natural Attenuation Site Screening Program

Energy Technology Data Exchange (ETDEWEB)

Borns, David J.; Brady, Patrick V.; Brady, Warren D.; Krupka, Kenneth M.; Spalding, Brian P.; Waters, Robert D.; Zhang, Pengchu

1999-07-12

Screening of sites for the potential application and reliance upon monitored natural attenuation (MNA) can be done using MNAtoolbox, a web-based tool for estimating extent of biodegradation, chemical transformation, and dilution. MNAtoolbox uses site-specific input data, where available (default parameters are taken from the literature), to roughly quantify the nature and extent of attenuation at a particular site. Use of MNAtoolbox provides 3 important elements of site evaluation: (1) Identifies likely attenuation pathways, (2) Clearly identifies sites where MNA is inappropriate, and (3) Evaluates data requirements for subsequent reliance on MNA as a sole or partial corrective action.

Corrective action strategy for single-shell tanks containing organic chemicals

International Nuclear Information System (INIS)

Turner, D.A.

1993-08-01

A Waste Tank Organic Safety Program (Program) Plan is to be transmitted to the U.S. Department of Energy, Richland Operations Office (RL) for approval by December 31, 1993. In April 1993 an agreement was reached among cognizant U.S. Department of Energy - Headquarters (HQ), RL and Westinghouse Hanford Company (WHC) staff that the Program Plan would be preceded by a ''Corrective Action Strategy,'' which addressed selected planning elements supporting the Program Plan. The ''Corrective Action Strategy'' would be reviewed and consensus reached regarding the planning elements. A Program Plan reflecting this consensus would then be prepared. A preliminary ''corrective action strategy'' is presented for resolving the organic tanks safety issue based on the work efforts recommended in the ISB (Interim Safety Basis for Hanford Site tank farm facilities). A ''corrective action strategy'' logic was prepared for individual SSTs (single-shell tanks), or a group of SSTs having similar characteristics, as appropriate. Four aspects of the organic tanks safety issue are addressed in the ISB: SSTs with the potential for combustion in the tank's headspace; combustion of a floating organic layer as a pool fire; surface fires in tanks that formerly held floating organic layers; SSTs with the potential for organic-nitrate reactions. A preliminary ''corrective action strategy'' for each aspect of the organic tanks safety issue is presented

Plant management in natural areas: balancing chemical, mechanical, and cultural control methods

Science.gov (United States)

Steven Manning; James. Miller

2011-01-01

After determining the best course of action for control of an invasive plant population, it is important to understand the variety of methods available to the integrated pest management professional. A variety of methods are now widely used in managing invasive plants in natural areas, including chemical, mechanical, and cultural control methods. Once the preferred...

An electrochemical study of natural and chemically controlled eumelanin

Directory of Open Access Journals (Sweden)

Ri Xu

2017-12-01

Full Text Available Eumelanin is the most common form of the pigment melanin in the human body, with functions including antioxidant behavior, metal chelation, and free radical scavenging. This biopigment is of interest for biologically derived batteries and supercapacitors. In this work, we characterized the voltammetric properties of chemically controlled eumelanins produced from 5,6-dihydroxyindole (DHI and 5,6-dihydroxyindole-2-carboxylic acid (DHICA building blocks, namely, DHI-melanin, DHICA-melanin, and natural eumelanin, extracted from the ink sac of cuttlefish, Sepia melanin. Eumelanin electrodes were studied for their cyclic voltammetric properties in acidic buffers including Na+, K+, NH4+, and Cu2+ ions.

Chemical communication between synthetic and natural cells: a possible experimental design.

Directory of Open Access Journals (Sweden)

Livia Leoni

2013-09-01

Full Text Available The bottom-up construction of synthetic cells is one of the most intriguing and interesting research arenas in synthetic biology. Synthetic cells are built by encapsulating biomolecules inside lipid vesicles (liposomes, allowing the synthesis of one or more functional proteins. Thanks to the in situ synthesized proteins, synthetic cells become able to perform several biomolecular functions, which can be exploited for a large variety of applications. This paves the way to several advanced uses of synthetic cells in basic science and biotechnology, thanks to their versatility, modularity, biocompatibility, and programmability. In the previous WIVACE (2012 we presented the state-of-the-art of semi-synthetic minimal cell (SSMC technology and introduced, for the first time, the idea of chemical communication between synthetic cells and natural cells. The development of a proper synthetic communication protocol should be seen as a tool for the nascent field of bio/chemical-based Information and Communication Technologies (bio-chem-ICTs and ultimately aimed at building soft-wet-micro-robots. In this contribution (WIVACE, 2013 we present a blueprint for realizing this project, and show some preliminary experimental results. We firstly discuss how our research goal (based on the natural capabilities of biological systems to manipulate chemical signals finds a proper place in the current scientific and technological contexts. Then, we shortly comment on the experimental approaches from the viewpoints of (i synthetic cell construction, and (ii bioengineering of microorganisms, providing up-to-date results from our laboratory. Finally, we shortly discuss how autopoiesis can be used as a theoretical framework for defining synthetic minimal life, minimal cognition, and as bridge between synthetic biology and artificial intelligence.

[Research progress in chemical communication among insect-resistant genetically modified plants, insect pests and natural enemies].

Science.gov (United States)

Liu, Qing-Song; Li, Yun-He; Chen, Xiu-Ping; Peng, Yu-Fa

2014-08-01

Semiochemicals released by plants or insects play an important role in the communication among plants, phytophagous insects and their natural enemies. They thus form a chemical information network which regulates intra- and inter-specific behaviors and sustains the composition and structure of plant and insect communities. The application of insect-resistant genetically modified (IRGM) crops may affect the chemical communication within and among the tritrophic levels, and thus cause disturbances to the biotic community structure and the stability of the farmland ecosystem. This has raised concerns about the environmental safety of IRGM crops and triggered research worldwide. In the current article we provided a brief summary of the chemical communication among plants, herbivores and natural enemies; analyzed the potential of IRGM crops to affect the chemical communication between plants and arthropods and the related mechanisms; and discussed the current research progress and the future prospects in this field. We hope that this will promote the research in this field by Chinese scientists and increase our understanding of the potential effects of growing of IRGM crops on the arthropod community structure.

Perturbative triples correction for local pair natural orbital based explicitly correlated CCSD(F12*) using Laplace transformation techniques.

Science.gov (United States)

Schmitz, Gunnar; Hättig, Christof

2016-12-21

We present an implementation of pair natural orbital coupled cluster singles and doubles with perturbative triples, PNO-CCSD(T), which avoids the quasi-canonical triples approximation (T0) where couplings due to off-diagonal Fock matrix elements are neglected. A numerical Laplace transformation of the canonical expression for the perturbative (T) triples correction is used to avoid an I/O and storage bottleneck for the triples amplitudes. Results for a test set of reaction energies show that only very few Laplace grid points are needed to obtain converged energy differences and that PNO-CCSD(T) is a more robust approximation than PNO-CCSD(T0) with a reduced mean absolute deviation from canonical CCSD(T) results. We combine the PNO-based (T) triples correction with the explicitly correlated PNO-CCSD(F12*) method and investigate the use of specialized F12-PNOs in the conventional triples correction. We find that no significant additional errors are introduced and that PNO-CCSD(F12*)(T) can be applied in a black box manner.

Reassigning the Structures of Natural Products Using NMR Chemical Shifts Computed with Quantum Mechanics: A Laboratory Exercise

Science.gov (United States)

Palazzo, Teresa A.; Truong, Tiana T.; Wong, Shirley M. T.; Mack, Emma T.; Lodewyk, Michael W.; Harrison, Jason G.; Gamage, R. Alan; Siegel, Justin B.; Kurth, Mark J.; Tantillo, Dean J.

2015-01-01

An applied computational chemistry laboratory exercise is described in which students use modern quantum chemical calculations of chemical shifts to assign the structure of a recently isolated natural product. A pre/post assessment was used to measure student learning gains and verify that students demonstrated proficiency of key learning…

Estimating pesticide sampling rates by the polar organic chemical integrative sampler (POCIS) in the presence of natural organic matter and varying hydrodynamic conditions

Science.gov (United States)

Charlestra, Lucner; Amirbahman, Aria; Courtemanch, David L.; Alvarez, David A.; Patterson, Howard

2012-01-01

The polar organic chemical integrative sampler (POCIS) was calibrated to monitor pesticides in water under controlled laboratory conditions. The effect of natural organic matter (NOM) on the sampling rates (Rs) was evaluated in microcosms containing -1 of total organic carbon (TOC). The effect of hydrodynamics was studied by comparing Rs values measured in stirred (SBE) and quiescent (QBE) batch experiments and a flow-through system (FTS). The level of NOM in the water used in these experiments had no effect on the magnitude of the pesticide sampling rates (p > 0.05). However, flow velocity and turbulence significantly increased the sampling rates of the pesticides in the FTS and SBE compared to the QBE (p < 0.001). The calibration data generated can be used to derive pesticide concentrations in water from POCIS deployed in stagnant and turbulent environmental systems without correction for NOM.

Scientific pluralism and the Chemical Revolution.

Science.gov (United States)

Kusch, Martin

2015-02-01

In a number of papers and in his recent book, Is Water H2O? Evidence, Realism, Pluralism (2012), Hasok Chang has argued that the correct interpretation of the Chemical Revolution provides a strong case for the view that progress in science is served by maintaining several incommensurable "systems of practice" in the same discipline, and concerning the same region of nature. This paper is a critical discussion of Chang's reading of the Chemical Revolution. It seeks to establish, first, that Chang's assessment of Lavoisier's and Priestley's work and character follows the phlogistonists' "actors' sociology"; second, that Chang simplifies late-eighteenth-century chemical debates by reducing them to an alleged conflict between two systems of practice; third, that Chang's evidence for a slow transition from phlogistonist theory to oxygen theory is not strong; and fourth, that he is wrong to assume that chemists at the time did not have overwhelming good reasons to favour Lavoisier's over the phlogistonists' views. Copyright © 2014 Elsevier Ltd. All rights reserved.

Natural and active chemical remediation of toxic metals and radionuclides in the aquatic environment

International Nuclear Information System (INIS)

McPherson, G.; Pintauro, P.; O'Connor, S.; Zhang, J.; Gonzales, R.; Flowers, G.

1993-01-01

The focus of this research is the non-biological, chemical remediation of toxic heavy metals and radionuclides in aquatic environments. This Tulane/Xavier group includes researchers from Chemistry, Chemical Engineering, and Geology. Active methods using novel zeolites and ion exchange membranes are currently being evaluated for use in removing heavy metals from natural waters. In addition, field and laboratory studies of metal ion exchange reactions and competitive, heavy metal adsorption on clay substrates are underway to determine sediment metal sequestering capacity. A summary of progress to date and future work is presented

Calculation of 125Te NMR Chemical Shifts at the Full Four-Component Relativistic Level with Taking into Account Solvent and Vibrational Corrections: A Gateway to Better Agreement with Experiment.

Science.gov (United States)

Rusakova, Irina L; Rusakov, Yuriy Yu; Krivdin, Leonid B

2017-06-29

Four-component relativistic calculations of 125 Te NMR chemical shifts were performed in the series of 13 organotellurium compounds, potential precursors of the biologically active species, at the density functional theory level under the nonrelativistic and four-component fully relativistic conditions using locally dense basis set scheme derived from relativistic Dyall's basis sets. The relativistic effects in tellurium chemical shifts were found to be of as much as 20-25% of the total calculated values. The vibrational and solvent corrections to 125 Te NMR chemical shifts are about, accordingly, 6 and 8% of their total values. The PBE0 exchange-correlation functional turned out to give the best agreement of calculated tellurium shifts with their experimental values giving the mean absolute percentage error of 4% in the range of ∼1000 ppm, provided all corrections are taken into account.

Current Challenges in Development of a Database of Three-Dimensional Chemical Structures

Science.gov (United States)

Maeda, Miki H.

2015-01-01

We are developing a database named 3DMET, a three-dimensional structure database of natural metabolites. There are two major impediments to the creation of 3D chemical structures from a set of planar structure drawings: the limited accuracy of computer programs and insufficient human resources for manual curation. We have tested some 2D–3D converters to convert 2D structure files from external databases. These automatic conversion processes yielded an excessive number of improper conversions. To ascertain the quality of the conversions, we compared IUPAC Chemical Identifier and canonical SMILES notations before and after conversion. Structures whose notations correspond to each other were regarded as a correct conversion in our present work. We found that chiral inversion is the most serious factor during the improper conversion. In the current stage of our database construction, published books or articles have been resources for additions to our database. Chemicals are usually drawn as pictures on the paper. To save human resources, an optical structure reader was introduced. The program was quite useful but some particular errors were observed during our operation. We hope our trials for producing correct 3D structures will help other developers of chemical programs and curators of chemical databases. PMID:26075200

Influence of chemical composition of precipitation on migration of radioactive caesium in natural soils

International Nuclear Information System (INIS)

Thørring, H.; Skuterud, L.; Steinnes, E.

2014-01-01

The aim of the present work was to study the impact of the chemical composition of precipitation on radiocaesium mobility in natural soil. This was done through column studies. Three types of precipitation regimes were studied, representing a natural range found in Norway: Acidic precipitation (southernmost part of the country); precipitation rich in marine cations (highly oceanic coastal areas); and low concentrations of sea salts (slightly continental inland areas). After 50 weeks and a total precipitation supply of ∼10 000 L m −2 per column, results indicate that acidic precipitation increased the mobility of 134 Cs added during the experiment. However, depth distribution of already present Chernobyl fallout 137 Cs was not significantly affected by the chemical composition of precipitation. - Highlights: • Mobility of freshly added Cs-134 was higher in soil receiving acidic precipitation. • Depth penetration of Cs-134 was higher in soil profiles with a thicker humus layer. • Depth distribution of Chernobyl Cs-137 was not affected by precipitation type

Biological and Chemical Aspects of Natural Biflavonoids from Plants: A Brief Review.

Science.gov (United States)

Gontijo, Vanessa Silva; Dos Santos, Marcelo Henrique; Viegas, Claudio

2017-01-01

Biflavonoids belong to a subclass of the plant flavonoids family and are limited to several species in the plant kingdom. In the literature, biflavonoids are extensively reported for their pharmacological properties including anti-inflammatory, antioxidant, inhibitory activity against phospholipase A2 (PLA2) and antiprotozoal activity. These activities have been discovered from the small number of biflavonoid structures that have been investigated, although the natural biflavonoids library is likely to be large. In addition, many medicinal properties and traditional use of plants are attributed to the presence of bioflavonoids among their secondary metabolites. Structurally, biflavonoids are polyphenol compounds comprising of two identical or non-identical flavonflavonoid units joined in a symmetrical or unsymmetrical manner through an alkyl or an alkoxy-based linker of varying length. Due to their chemical and biological importance, several bioprospective phytochemical studies and chemical approaches using coupling and molecular rearrangement strategies have been developed to identify and synthesize new bioactive biflavonoids. In this brief review, we present some basic structural aspects for classification and nomenclature of bioflavonoids and a compilation of the literature data published in the last 7 years, concerning the discovery of new natural biflavonoids of plant origin and their pharmacological and biological properties. Copyright© Bentham Science Publishers; For any queries, please email at epub@benthamscience.org.

Chemical Editing of Macrocyclic Natural Products and Kinetic Profiling Reveal Slow, Tight-Binding Histone Deacetylase Inhibitors with Picomolar Affinities

DEFF Research Database (Denmark)

Kitir, Betül; Maolanon, Alex R.; Ohm, Ragnhild G.

2017-01-01

medicines. Therefore, detailed mechanistic information and precise characterization of the chemical probes used to investigate the effects of HDAC enzymes are vital. We interrogated Nature's arsenal of macrocyclic nonribosomal peptide HDAC inhibitors by chemical synthesis and evaluation of more than 30...... natural products and analogues. This furnished surprising trends in binding affinities for the various macrocycles, which were then exploited for the design of highly potent class I and IIb HDAC inhibitors. Furthermore, thorough kinetic investigation revealed unexpected inhibitory mechanisms of important...

Oxidative regeneration of toluene-saturated natural zeolite by gaseous ozone: The influence of zeolite chemical surface characteristics

Energy Technology Data Exchange (ETDEWEB)

Alejandro, Serguei [Laboratorio de Tecnologías Limpias (F. Ingeniería), Universidad Católica de la Santísima Concepción, Alonso de Ribera 2850, Concepción (Chile); Núcleo de Energías Renovables (F. Ingeniería), Universidad Católica de Temuco, Rudecindo Ortega 02950, Temuco (Chile); Valdés, Héctor, E-mail: hvaldes@ucsc.cl [Laboratorio de Tecnologías Limpias (F. Ingeniería), Universidad Católica de la Santísima Concepción, Alonso de Ribera 2850, Concepción (Chile); Manéro, Marie-Hélène [Université de Toulouse (France); INPT, UPS (France); Laboratoire de Génie Chimique, 4, Allée Emile Monso, F–31030 Toulouse (France); CNRS (France); Laboratoire de Génie Chimique, F–31030 Toulouse (France); Zaror, Claudio A. [Departamento de Ingeniería Química (F. Ingeniería), Universidad de Concepción, Concepción, Correo 3, Casilla 160–C (Chile)

2014-06-01

Highlights: • Surface acidity of modified natural zeolite is related to its chemical reactivity. • Brønsted acid sites are associated to toluene adsorption. • Lewis acid sites could decompose ozone generating surface active oxygen species. • Infrared spectra evidence active atomic oxygen and oxidation by-product formation. • 2NH4Z1 sample shows the highest reactivity toward adsorbed toluene. - Abstract: In this study, the effect of zeolite chemical surface characteristics on the oxidative regeneration of toluene saturated-zeolite samples is investigated. A Chilean natural zeolite (53% clinoptilolite, 40% mordenite and 7% quartz) was chemically modified by acid treatment with hydrochloric acid and by ion-exchange with ammonium sulphate. Thermal pre-treatments at 623 and 823 K were applied and six zeolite samples with different chemical surface characteristics were generated. Chemical modification of natural zeolite followed by thermal out-gassing allows distinguishing the role of acidic surface sites on the regeneration of exhausted zeolites. An increase in Brønsted acid sites on zeolite surface is observed as a result of ammonium-exchange treatment followed by thermal treatment at 623 K, thus increasing the adsorption capacity toward toluene. High ozone consumption could be associated to a high content of Lewis acid sites, since these could decompose ozone into atomic active oxygen species. Then, surface oxidation reactions could take part among adsorbed toluene at Brønsted acid sites and surface atomic oxygen species, reducing the amount of adsorbed toluene after the regenerative oxidation with ozone. Experimental results show that the presence of adsorbed oxidation by-products has a negative impact on the recovery of zeolite adsorption capacity.

Oxidative regeneration of toluene-saturated natural zeolite by gaseous ozone: The influence of zeolite chemical surface characteristics

International Nuclear Information System (INIS)

Alejandro, Serguei; Valdés, Héctor; Manéro, Marie-Hélène; Zaror, Claudio A.

2014-01-01

Highlights: • Surface acidity of modified natural zeolite is related to its chemical reactivity. • Brønsted acid sites are associated to toluene adsorption. • Lewis acid sites could decompose ozone generating surface active oxygen species. • Infrared spectra evidence active atomic oxygen and oxidation by-product formation. • 2NH4Z1 sample shows the highest reactivity toward adsorbed toluene. - Abstract: In this study, the effect of zeolite chemical surface characteristics on the oxidative regeneration of toluene saturated-zeolite samples is investigated. A Chilean natural zeolite (53% clinoptilolite, 40% mordenite and 7% quartz) was chemically modified by acid treatment with hydrochloric acid and by ion-exchange with ammonium sulphate. Thermal pre-treatments at 623 and 823 K were applied and six zeolite samples with different chemical surface characteristics were generated. Chemical modification of natural zeolite followed by thermal out-gassing allows distinguishing the role of acidic surface sites on the regeneration of exhausted zeolites. An increase in Brønsted acid sites on zeolite surface is observed as a result of ammonium-exchange treatment followed by thermal treatment at 623 K, thus increasing the adsorption capacity toward toluene. High ozone consumption could be associated to a high content of Lewis acid sites, since these could decompose ozone into atomic active oxygen species. Then, surface oxidation reactions could take part among adsorbed toluene at Brønsted acid sites and surface atomic oxygen species, reducing the amount of adsorbed toluene after the regenerative oxidation with ozone. Experimental results show that the presence of adsorbed oxidation by-products has a negative impact on the recovery of zeolite adsorption capacity

A new algorithm for least-cost path analysis by correcting digital elevation models of natural landscapes

Science.gov (United States)

Baek, Jieun; Choi, Yosoon

2017-04-01

Most algorithms for least-cost path analysis usually calculate the slope gradient between the source cell and the adjacent cells to reflect the weights for terrain slope into the calculation of travel costs. However, these algorithms have limitations that they cannot analyze the least-cost path between two cells when obstacle cells with very high or low terrain elevation exist between the source cell and the target cell. This study presents a new algorithm for least-cost path analysis by correcting digital elevation models of natural landscapes to find possible paths satisfying the constraint of maximum or minimum slope gradient. The new algorithm calculates the slope gradient between the center cell and non-adjacent cells using the concept of extended move-sets. If the algorithm finds possible paths between the center cell and non-adjacent cells with satisfying the constraint of slope condition, terrain elevation of obstacle cells existing between two cells is corrected from the digital elevation model. After calculating the cumulative travel costs to the destination by reflecting the weight of the difference between the original and corrected elevations, the algorithm analyzes the least-cost path. The results of applying the proposed algorithm to the synthetic data sets and the real-world data sets provide proof that the new algorithm can provide more accurate least-cost paths than other conventional algorithms implemented in commercial GIS software such as ArcGIS.

The effect of natural weathering on the chemical and isotopic composition of biotites

International Nuclear Information System (INIS)

Clauer, N.; Bonnot-Courtois, C.

1982-01-01

The effect of progressive natural weathering on the isotopic (Rb-Sr, K-Ar, deltaD, delta 18 O) and chemical (REE, H 2 O + ) compositions of biotite has been studied on a suite of migmatitic biotites from the Chad Republic. During the early stages of weathering the Rb-Sr system is strongly affected, the hydrogen and oxygen isotope compositions change markedly, the minerals are depleted in light REE, the water content increases by a factor of two, and the K-Ar system is relatively little disturbed. During intensive weathering the K-Ar system is more strongly disturbed than the Rb-Sr system. Most of the isotopic and chemical modifications take place under nonequilibrium conditions and occur before newly formed kaolinite and/or smectite can be detected. These observations suggest that (a) 'protominerals' may form within the biotite structure during the initial period of weathering, and (b) only when chemical equilibrium is approached in the weathering profile are new minerals able to form. (author)

Bioprospecting of Marine Invertebrates for New Natural Products — A Chemical and Zoogeographical Perspective

Directory of Open Access Journals (Sweden)

Ricardo Calado

2012-08-01

Full Text Available Bioprospecting for new marine natural products (NPs has increased significantly over the last decades, leading to an unprecedented discovery of new molecules. Marine invertebrates have been the most important source of these NPs, with researchers commonly targeting particular taxonomic groups, marine regions and/or molecules from specific chemical groups. The present review focuses on new NPs identified from marine invertebrates between 2000 and 2009, and performs a detailed analysis on: (1 the chemical groups of these NPs; (2 the association of particular chemical groups to specific marine invertebrate taxa; and (3 the yielding of molecules from the same chemical group from organisms occurring in a particular geographic region. Our survey revealed an increasing number of new terpenoids being discovered between 2000 and 2009, contrasting with the decreasing trend in the discovery of new alkaloids and aliphatic molecules. Overall, no particular association was identified between marine invertebrate taxa and chemical groups of new NPs. Nonetheless, it is worth noting that most NPs recorded from cnidarians and mollusks were terpenoids, while most NPs identified in echinoderms were aliphatic compounds or carbohydrates. The geographical trends observed in our study do not support the idea of particular chemical groups of new NPs being associated with marine invertebrates from any specific geographical region, as NPs from different chemical groups were commonly distributed worldwide.

New developments in EPMA correction procedures

International Nuclear Information System (INIS)

Love, G.; Scott, V.D.

1980-01-01

Computer programs currently employed in converting electron-probe microanalysis (EPMA) measurements into chemical compositions are usually based upon the ZAF method in which atomic number (Z), absorption (A) and fluorescence (F) effects are corrected for separately. The established ZAF approach incorporates the atomic number correction of Duncumb and Reed or Philibert and Tixier, the simplified absorption correction of Philibert including the sigma and h values proposed by Heinrich, and the characteristic fluorescence correction of Reed. Although such programs generally operate satisfactorily they possess certain deficiencies and are prone to error when, for example, analysing for light elements (Z 25 kV) or low overvoltages ( 11) results are determined using the equations of Springer and Nolan and values for oxygen are those of Love et al. (Auth.)

Use of calibration standards and the correction for sample self-attenuation in gamma-ray nondestructive assay

International Nuclear Information System (INIS)

Parker, J.L.

1984-08-01

The efficient use of appropriate calibration standards and the correction for the attenuation of the gamma rays within an assay sample by the sample itself are two important and closely related subjects in gamma-ray nondestructive assay. Much research relating to those subjects has been done in the Nuclear Safeguards Research and Development program at the Los Alamos National Laboratory since 1970. This report brings together most of the significant results of that research. Also discussed are the nature of appropriate calibration standards and the necessary conditions on the composition, size, and shape of the samples to allow accurate assays. Procedures for determining the correction for the sample self-attenuation are described at length including both general principles and several specific useful cases. The most useful concept is that knowing the linear attenuation coefficient of the sample (which can usually be determined) and the size and shape of the sample and its position relative to the detector permits the computation of the correction factor for the self-attenuation. A major objective of the report is to explain how the procedures for determining the self-attenuation correction factor can be applied so that calibration standards can be entirely appropriate without being particularly similar, either physically or chemically, to the items to be assayed. This permits minimization of the number of standards required to assay items with a wide range of size, shape, and chemical composition. 17 references, 18 figures, 2 tables

PREDICTION METRICS FOR CHEMICAL DETECTION IN LONG-WAVE INFRARED HYPERSPECTRAL IMAGERY

Energy Technology Data Exchange (ETDEWEB)

Chilton, M.; Walsh, S.J.; Daly, D.S.

2009-01-01

Natural and man-made chemical processes generate gaseous plumes that may be detected by hyperspectral imaging, which produces a matrix of spectra affected by the chemical constituents of the plume, the atmosphere, the bounding background surface and instrument noise. A physics-based model of observed radiance shows that high chemical absorbance and low background emissivity result in a larger chemical signature. Using simulated hyperspectral imagery, this study investigated two metrics which exploited this relationship. The objective was to explore how well the chosen metrics predicted when a chemical would be more easily detected when comparing one background type to another. The two predictor metrics correctly rank ordered the backgrounds for about 94% of the chemicals tested as compared to the background rank orders from Whitened Matched Filtering (a detection algorithm) of the simulated spectra. These results suggest that the metrics provide a reasonable summary of how the background emissivity and chemical absorbance interact to produce the at-sensor chemical signal. This study suggests that similarly effective predictors that account for more general physical conditions may be derived.

Validation of archived chemical shifts through atomic coordinates

Science.gov (United States)

Rieping, Wolfgang; Vranken, Wim F

2010-01-01

The public archives containing protein information in the form of NMR chemical shift data at the BioMagResBank (BMRB) and of 3D structure coordinates at the Protein Data Bank are continuously expanding. The quality of the data contained in these archives, however, varies. The main issue for chemical shift values is that they are determined relative to a reference frequency. When this reference frequency is set incorrectly, all related chemical shift values are systematically offset. Such wrongly referenced chemical shift values, as well as other problems such as chemical shift values that are assigned to the wrong atom, are not easily distinguished from correct values and effectively reduce the usefulness of the archive. We describe a new method to correct and validate protein chemical shift values in relation to their 3D structure coordinates. This method classifies atoms using two parameters: the per-atom solvent accessible surface area (as calculated from the coordinates) and the secondary structure of the parent amino acid. Through the use of Gaussian statistics based on a large database of 3220 BMRB entries, we obtain per-entry chemical shift corrections as well as Z scores for the individual chemical shift values. In addition, information on the error of the correction value itself is available, and the method can retain only dependable correction values. We provide an online resource with chemical shift, atom exposure, and secondary structure information for all relevant BMRB entries (http://www.ebi.ac.uk/pdbe/nmr/vasco) and hope this data will aid the development of new chemical shift-based methods in NMR. Proteins 2010. © 2010 Wiley-Liss, Inc. PMID:20602353

Chemical speciation modelling of the South Terras and Madeira Abyssal Plain natural analogue sites

International Nuclear Information System (INIS)

Duffield, J.R.; Xu Langqui; Williams, D.R.

1988-11-01

The chemical speciation of uranium has been modelled using field data from the South Terras and Madeira Abyssal Plain natural analogue sites. In general, validation is good, particularly for the Abyssal Plain model. Problems regarding uranium redox couples have been highlighted as have other areas requiring further consideration for building into the thermodynamic models. (author)

The Relevance of Second Language Acquisition Theory to the Written Error Correction Debate

Science.gov (United States)

Polio, Charlene

2012-01-01

The controversies surrounding written error correction can be traced to Truscott (1996) in his polemic against written error correction. He claimed that empirical studies showed that error correction was ineffective and that this was to be expected "given the nature of the correction process and "the nature of language learning" (p. 328, emphasis…

Large Nc QCD at nonzero chemical potential

International Nuclear Information System (INIS)

Cohen, Thomas D.

2004-01-01

The general issue of large N c QCD at nonzero chemical potential is considered with a focus on understanding the difference between large N c QCD with an isospin chemical potential and large N c QCD with a baryon chemical potential. A simple diagrammatic analysis analogous to 't Hooft's analysis at μ=0 implies that the free energy with a given baryon chemical potential is equal to the free energy with an isospin chemical potential of the same value plus 1/N c corrections. Phenomenologically, these two systems behave quite differently. A scenario to explain this difference in light of the diagrammatic analysis is explored. This scenario is based on a phase transition associated with pion condensation when the isospin chemical potential exceeds m π /2; associated with this transition there is breakdown of the 1/N c expansion--in the pion condensed phase there is a distinct 1/N c expansion including a larger set of diagrams. While this scenario is natural, there are a number of theoretical issues which at least superficially challenge it. Most of these can be accommodated. However, the behavior of quenched QCD which raises a number of apparently analogous issues cannot be easily understood completely in terms of an analogous scenario. Thus, the overall issue remains open

Degradation of non-vulcanized natural rubber - renewable resource for fine chemicals used in polymer synthesis

Directory of Open Access Journals (Sweden)

Alexander Fainleib

2013-01-01

Full Text Available In the current scenario, there is growing interest in the products of degradation of rubber (natural and synthetic for specific applications in different industry sectors, whose benefits in replacing conventionally used products are mainly related to sustainability. Since the degradation products of rubber can be used in different areas, several research groups may have the interest aroused by these products, but are not familiar with the aspects related to the chemical behavior of rubber. This review aims to bring together the key information in the published literature on the degradation of natural rubber, emphasizing metatheses reactions, oxidative damage and splitting of the double bond, in order to serve as a reference source for researchers from different fields interested in obtaining such kind of products. The structures and properties as well as additional chemical transformations resulting in oligomers of isoprene, functionalised oligomers and polymers based on both are also described.

The human impact on natural rock reserves using basalt, anorthosite, and carbonates as raw materials in insulation products

DEFF Research Database (Denmark)

Dahl, Tais Wittchen; Clausen, Anders U.; Hansen, Peter B.

2011-01-01

lithosphere or subducted with oceanic crust and recycled through the mantle by plate tectonics. Insulation products have a chemical composition similar to average crustal rocks and participate in the natural rock cycle. However, these products need not accumulate in nature, inasmuch as old insulation......Typical crustal rocks such as basalt, limestone, and anorthosite are used in stone wool insulation products. The raw materials for stone wool production are not specific to any rare mineral source but depend upon the mixture of materials having the correct chemical composition, exemplified by 40 wt......% basalt, 20 wt% anorthosite, and 40 wt% cement-bonded renewable materials. This study provides an overview of the natural cycle of these resources, including their abundances in nature, and sets the consumption by the stone wool industry and other human activities in perspective. Basalt, anorthosite...

The use of calibration standards and the correction for sample self-attenuation in gamma-ray nondestructive assay

International Nuclear Information System (INIS)

Parker, J.L.

1986-11-01

The efficient use of appropriate calibration standards and the correction for the attenuation of the gamma rays within an assay sample by the sample itself are two important and closely related subjects in gamma-ray nondestructive assay. Much research relating to those subjects has been done in the Nuclear Safeguards Research and Development program at the Los Alamos National Laboratory since 1970. This report brings together most of the significant results of that research. Also discussed are the nature of appropriate calibration standards and the necessary conditions on the composition, size, and shape of the samples to allow accurate assays. Procedures for determining the correction for the sample self-attenuation are described at length including both general principles and several specific useful cases. The most useful concept is that knowing the linear attenuation coefficient of the sample (which can usually be determined) and the size and shape of the sample and its position relative to the detector permits the computation of the correction factor for the self-attenuation. A major objective of the report is to explain how the procedures for determining the self-attenuation correction factor can be applied so that calibration standards can be entirely appropriate without being particularly similar, either physically or chemically, to the items to be assayed. This permits minimization of the number of standards required to assay items with a wide range of size, shape, and chemical composition

Effect of Chemical Treatment on Physical, Mechanical and Thermal Properties of Ladies Finger Natural Fiber

Directory of Open Access Journals (Sweden)

S. I. Hossain

2013-01-01

Full Text Available In present research, natural fiber obtained from ladies finger plant was chemically treated separately using alkali (2% NaOH, chromium sulfate (4% , and chromium sulfate and sodium bicarbonate (4% . Both raw and chemically treated fibers were subsequently characterized using mechanical (tensile, structural (Fourier transform infrared spectroscopy and scanning electron microscopy, and thermal (thermogravimetric analysis. Fourier analysis showed the presence of (−OH group in the ladies plant fiber. Scanning electron micrographs revealed rougher surface in case of alkali treated fiber, while thin coating layer was formed on the fiber surface during other two treatments. Tensile test on ladies finger single fiber was carried out by varying span length. The tensile strength and Young's modulus values were found to be increased after chemical treatment. For both raw and chemically treated fibers, Young's modulus increased and tensile strength decreased with increase in span length. Thermogravimetric analysis indicated the same level of thermal stability for both raw and treated ladies finger fibers.

Corrective Action Investigation Plan for Corrective Action Unit 552: Area 12 Muckpile and Ponds, Nevada Test Site, Nevada, Rev.1

International Nuclear Information System (INIS)

Boehlecke, Robert F.

2005-01-01

Corrective Action Unit 552 is being investigated because man-made radionuclides and chemical contaminants may be present in concentrations that could potentially pose an unacceptable risk to human health and/or the environment. The CAI will be conducted following the data quality objectives (DQOs) developed by representatives of the Nevada Division of Environmental Protection (NDEP) and the DOE National Nuclear Security Administration Nevada Site Office (NNSA/NSO). The DQOs are used to identify the type, amount, and quality of data needed to define the nature and extent of contamination and identify and evaluate the most appropriate corrective action alternatives for CAU 552. The primary problem statement for the investigation is: 'Existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives for CAS 12-23-05.' To address this problem statement, the resolution of the following two decision statements is required: (1) The Decision I statement is: 'Is a contaminant present within the CAU at a concentration that could pose an unacceptable risk to human health and the environment?' Any site-related contaminant detected at a concentration exceeding the corresponding preliminary action level (PAL), as defined in Section A.1.4.2, will be considered a contaminant of concern (COC). A COC is defined as a site-related constituent that exceeds the screening criteria (PAL). The presence of a contaminant within each CAS is defined as the analytical detection of a COC. (2) The Decision II statement is: 'Determine the extent of contamination identified above PALs.' This decision will be achieved by the collection of data that are adequate to define the extent of COCs. Decision II samples are used to determine the lateral and vertical extent of the contamination as well as the likelihood of COCs to migrate outside of the site boundaries. The migration pattern can be derived from the Decision II

The biological correction is the new way of preservation of the Face of the Earth

Science.gov (United States)

Popov, Alexander

2014-05-01

The major links of terrestrial ecosystems functioning are: composted organic material with mull humus type, nitrogen-fixing microorganisms and litholytic organisms, which capable of active biological weathering of minerals and/or rock in the soil. Now the main ways of influence on plant-soil system functioning are physical and chemical correction. Physical correction is the system of different soil cultivation and land reclamation. It directed on creation and maintenance of favorable water, thermal and air regimes and also the biological activity of soils for crops. Although the general tendency of agriculture is minimized of tillage (strip-till, mini-till and no-till), nevertheless the intensive cultivation is widely used in modern agriculture. Chemical correction is the agriculture chemicalixation. It directed on regulation of plant producing by replenishment of plant, mineral nutrition elements in soils, by foliar nutrition using water solutions of macro- and microelements, and by regulation of acidic and salt soil regimes. In this case the plant protection against the pests and infections is carried out by various pesticides. This way of correction is completely realized in agriculture, but it doesn't consider the natural laws due to plants together with the soil from the interconnected and interdependent system. The continuing increase of agriculture chemicalixation simultaneously with a repeated tillage is led to loss of the major links of plant-soil systems functioning and to the degradation of a soil cover. Such way of plant productivity is a deadlock. New evolutionary way of preservation of the Face of the Earth is biological correction of plant-soil system functioning. A gist of this correction is the replenishment of the lost plant-soil system links. Biological correction leans on scientific achievements of modern biotechnologies, such as: vermicomposting, microbiologic specimens, physiologically active substances, biological agents of plant protection

Influence of Chemical Extraction on Rheological Behavior, Viscoelastic Properties and Functional Characteristics of Natural Heteropolysaccharide/Protein Polymer from Durio zibethinus Seed

Directory of Open Access Journals (Sweden)

Hamed Mirhosseini

2012-11-01

Full Text Available In recent years, the demand for a natural plant-based polymer with potential functions from plant sources has increased considerably. The main objective of the current study was to study the effect of chemical extraction conditions on the rheological and functional properties of the heteropolysaccharide/protein biopolymer from durian (Durio zibethinus seed. The efficiency of different extraction conditions was determined by assessing the extraction yield, protein content, solubility, rheological properties and viscoelastic behavior of the natural polymer from durian seed. The present study revealed that the soaking process had a more significant (p < 0.05 effect than the decolorizing process on the rheological and functional properties of the natural polymer. The considerable changes in the rheological and functional properties of the natural polymer could be due to the significant (p < 0.05 effect of the chemical extraction variables on the protein fraction present in the molecular structure of the natural polymer from durian seed. The natural polymer from durian seed had a more elastic (or gel like behavior compared to the viscous (liquid like behavior at low frequency. The present study revealed that the natural heteropolysaccharide/protein polymer from durian seed had a relatively low solubility ranging from 9.1% to 36.0%. This might be due to the presence of impurities, insoluble matter and large particles present in the chemical structure of the natural polymer from durian seed.

ICT: isotope correction toolbox.

Science.gov (United States)

Jungreuthmayer, Christian; Neubauer, Stefan; Mairinger, Teresa; Zanghellini, Jürgen; Hann, Stephan

2016-01-01

Isotope tracer experiments are an invaluable technique to analyze and study the metabolism of biological systems. However, isotope labeling experiments are often affected by naturally abundant isotopes especially in cases where mass spectrometric methods make use of derivatization. The correction of these additive interferences--in particular for complex isotopic systems--is numerically challenging and still an emerging field of research. When positional information is generated via collision-induced dissociation, even more complex calculations for isotopic interference correction are necessary. So far, no freely available tools can handle tandem mass spectrometry data. We present isotope correction toolbox, a program that corrects tandem mass isotopomer data from tandem mass spectrometry experiments. Isotope correction toolbox is written in the multi-platform programming language Perl and, therefore, can be used on all commonly available computer platforms. Source code and documentation can be freely obtained under the Artistic License or the GNU General Public License from: https://github.com/jungreuc/isotope_correction_toolbox/ {christian.jungreuthmayer@boku.ac.at,juergen.zanghellini@boku.ac.at} Supplementary data are available at Bioinformatics online. © The Author 2015. Published by Oxford University Press. All rights reserved. For Permissions, please e-mail: journals.permissions@oup.com.

Oxidative regeneration of toluene-saturated natural zeolite by gaseous ozone: the influence of zeolite chemical surface characteristics.

Science.gov (United States)

Alejandro, Serguei; Valdés, Héctor; Manéro, Marie-Hélène; Zaror, Claudio A

2014-06-15

In this study, the effect of zeolite chemical surface characteristics on the oxidative regeneration of toluene saturated-zeolite samples is investigated. A Chilean natural zeolite (53% clinoptilolite, 40% mordenite and 7% quartz) was chemically modified by acid treatment with hydrochloric acid and by ion-exchange with ammonium sulphate. Thermal pre-treatments at 623 and 823K were applied and six zeolite samples with different chemical surface characteristics were generated. Chemical modification of natural zeolite followed by thermal out-gassing allows distinguishing the role of acidic surface sites on the regeneration of exhausted zeolites. An increase in Brønsted acid sites on zeolite surface is observed as a result of ammonium-exchange treatment followed by thermal treatment at 623K, thus increasing the adsorption capacity toward toluene. High ozone consumption could be associated to a high content of Lewis acid sites, since these could decompose ozone into atomic active oxygen species. Then, surface oxidation reactions could take part among adsorbed toluene at Brønsted acid sites and surface atomic oxygen species, reducing the amount of adsorbed toluene after the regenerative oxidation with ozone. Experimental results show that the presence of adsorbed oxidation by-products has a negative impact on the recovery of zeolite adsorption capacity. Copyright © 2014 Elsevier B.V. All rights reserved.

Prediction of rodent carcinogenic potential of naturally occurring chemicals in the human diet using high-throughput QSAR predictive modeling

International Nuclear Information System (INIS)

Valerio, Luis G.; Arvidson, Kirk B.; Chanderbhan, Ronald F.; Contrera, Joseph F.

2007-01-01

Consistent with the U.S. Food and Drug Administration (FDA) Critical Path Initiative, predictive toxicology software programs employing quantitative structure-activity relationship (QSAR) models are currently under evaluation for regulatory risk assessment and scientific decision support for highly sensitive endpoints such as carcinogenicity, mutagenicity and reproductive toxicity. At the FDA's Center for Food Safety and Applied Nutrition's Office of Food Additive Safety and the Center for Drug Evaluation and Research's Informatics and Computational Safety Analysis Staff (ICSAS), the use of computational SAR tools for both qualitative and quantitative risk assessment applications are being developed and evaluated. One tool of current interest is MDL-QSAR predictive discriminant analysis modeling of rodent carcinogenicity, which has been previously evaluated for pharmaceutical applications by the FDA ICSAS. The study described in this paper aims to evaluate the utility of this software to estimate the carcinogenic potential of small, organic, naturally occurring chemicals found in the human diet. In addition, a group of 19 known synthetic dietary constituents that were positive in rodent carcinogenicity studies served as a control group. In the test group of naturally occurring chemicals, 101 were found to be suitable for predictive modeling using this software's discriminant analysis modeling approach. Predictions performed on these compounds were compared to published experimental evidence of each compound's carcinogenic potential. Experimental evidence included relevant toxicological studies such as rodent cancer bioassays, rodent anti-carcinogenicity studies, genotoxic studies, and the presence of chemical structural alerts. Statistical indices of predictive performance were calculated to assess the utility of the predictive modeling method. Results revealed good predictive performance using this software's rodent carcinogenicity module of over 1200 chemicals

Self-interaction corrections in density functional theory

International Nuclear Information System (INIS)

Tsuneda, Takao; Hirao, Kimihiko

2014-01-01

Self-interaction corrections for Kohn-Sham density functional theory are reviewed for their physical meanings, formulations, and applications. The self-interaction corrections get rid of the self-interaction error, which is the sum of the Coulomb and exchange self-interactions that remains because of the use of an approximate exchange functional. The most frequently used self-interaction correction is the Perdew-Zunger correction. However, this correction leads to instabilities in the electronic state calculations of molecules. To avoid these instabilities, several self-interaction corrections have been developed on the basis of the characteristic behaviors of self-interacting electrons, which have no two-electron interactions. These include the von Weizsäcker kinetic energy and long-range (far-from-nucleus) asymptotic correction. Applications of self-interaction corrections have shown that the self-interaction error has a serious effect on the states of core electrons, but it has a smaller than expected effect on valence electrons. This finding is supported by the fact that the distribution of self-interacting electrons indicates that they are near atomic nuclei rather than in chemical bonds

Towards Compensation Correctness in Interactive Systems

Science.gov (United States)

Vaz, Cátia; Ferreira, Carla

One fundamental idea of service-oriented computing is that applications should be developed by composing already available services. Due to the long running nature of service interactions, a main challenge in service composition is ensuring correctness of failure recovery. In this paper, we use a process calculus suitable for modelling long running transactions with a recovery mechanism based on compensations. Within this setting, we discuss and formally state correctness criteria for compensable processes compositions, assuming that each process is correct with respect to failure recovery. Under our theory, we formally interpret self-healing compositions, that can detect and recover from failures, as correct compositions of compensable processes.

Enhancement of mechanical properties and interfacial adhesion by chemical odification of natural fibre reinforced polypropylene composites

CSIR Research Space (South Africa)

Erasmus, E

2008-11-01

Full Text Available with the polymer matrix. Therefore, the constituents need to be chemically modified to enhancing adhesion between fibre and polymer matrix. The aim of this work is to improve the interfacial adhesion between the polypropylene matrix and the natural fibre...

A new type of power energy for accelerating chemical reactions: the nature of a microwave-driving force for accelerating chemical reactions.

Science.gov (United States)

Zhou, Jicheng; Xu, Wentao; You, Zhimin; Wang, Zhe; Luo, Yushang; Gao, Lingfei; Yin, Cheng; Peng, Renjie; Lan, Lixin

2016-04-27

The use of microwave (MW) irradiation to increase the rate of chemical reactions has attracted much attention recently in nearly all fields of chemistry due to substantial enhancements in reaction rates. However, the intrinsic nature of the effects of MW irradiation on chemical reactions remains unclear. Herein, the highly effective conversion of NO and decomposition of H2S via MW catalysis were investigated. The temperature was decreased by several hundred degrees centigrade. Moreover, the apparent activation energy (Ea') decreased substantially under MW irradiation. Importantly, for the first time, a model of the interactions between microwave electromagnetic waves and molecules is proposed to elucidate the intrinsic reason for the reduction in the Ea' under MW irradiation, and a formula for the quantitative estimation of the decrease in the Ea' was determined. MW irradiation energy was partially transformed to reduce the Ea', and MW irradiation is a new type of power energy for speeding up chemical reactions. The effect of MW irradiation on chemical reactions was determined. Our findings challenge both the classical view of MW irradiation as only a heating method and the controversial MW non-thermal effect and open a promising avenue for the development of novel MW catalytic reaction technology.

Corrective Action Investigation Plan for Corrective Action Unit 204: Storage Bunkers, Nevada Test Site, Nevada (December 2002, Revision No.: 0), Including Record of Technical Change No. 1

Energy Technology Data Exchange (ETDEWEB)

NNSA/NSO

2002-12-12

The Corrective Action Investigation Plan contains the U.S. Department of Energy, National Nuclear Security Administration Nevada Operations Office's approach to collect the data necessary to evaluate corrective action alternatives appropriate for the closure of Corrective Action Unit (CAU) 204 under the Federal Facility Agreement and Consent Order. Corrective Action Unit 204 is located on the Nevada Test Site approximately 65 miles northwest of Las Vegas, Nevada. This CAU is comprised of six Corrective Action Sites (CASs) which include: 01-34-01, Underground Instrument House Bunker; 02-34-01, Instrument Bunker; 03-34-01, Underground Bunker; 05-18-02, Chemical Explosives Storage; 05-33-01, Kay Blockhouse; 05-99-02, Explosive Storage Bunker. Based on site history, process knowledge, and previous field efforts, contaminants of potential concern for Corrective Action Unit 204 collectively include radionuclides, beryllium, high explosives, lead, polychlorinated biphenyls, total petroleum hydrocarbons, silver, warfarin, and zinc phosphide. The primary question for the investigation is: ''Are existing data sufficient to evaluate appropriate corrective actions?'' To address this question, resolution of two decision statements is required. Decision I is to ''Define the nature of contamination'' by identifying any contamination above preliminary action levels (PALs); Decision II is to ''Determine the extent of contamination identified above PALs. If PALs are not exceeded, the investigation is completed. If PALs are exceeded, then Decision II must be resolved. In addition, data will be obtained to support waste management decisions. Field activities will include radiological land area surveys, geophysical surveys to identify any subsurface metallic and nonmetallic debris, field screening for applicable contaminants of potential concern, collection and analysis of surface and subsurface soil samples from biased locations

Identification of Chemical Toxicity Using Ontology Information of Chemicals

Directory of Open Access Journals (Sweden)

Zhanpeng Jiang

2015-01-01

Full Text Available With the advance of the combinatorial chemistry, a large number of synthetic compounds have surged. However, we have limited knowledge about them. On the other hand, the speed of designing new drugs is very slow. One of the key causes is the unacceptable toxicities of chemicals. If one can correctly identify the toxicity of chemicals, the unsuitable chemicals can be discarded in early stage, thereby accelerating the study of new drugs and reducing the R&D costs. In this study, a new prediction method was built for identification of chemical toxicities, which was based on ontology information of chemicals. By comparing to a previous method, our method is quite effective. We hope that the proposed method may give new insights to study chemical toxicity and other attributes of chemicals.

An Introduction to the Foundations of Chemical Information Theory. Tarski–Lesniewski Logical Structures and the Organization of Natural Sorts and Kinds

Directory of Open Access Journals (Sweden)

Jerry L. R. Chandler

2017-01-01

Full Text Available Organic mathematics is an applied mathematics of philosophical atomism. The order of the chemical elements in the table of elements is the source of order for the logical operations of addition and subtraction of atomic numbers. The inverse square laws of physics are the source of organization of subatomic structures of chemical atoms (atomic and molecular structures. These facts are foundational to the logic of the chemical sciences and are therefore the scientific basis for chemical information theory. The theories and facts of the chemical sciences are so perplex that several forms of symbolic representations are necessary to communicate the broad range of scientific concepts used to inquire into the nature of natural sorts and kinds. The logics proposed by Tarski, Lesniewski and Malatesta are applied to the construction of a numerical “spine” of perplex numbers representing atomic numbers as meta-symbols in meta-languages. The orbital angular momenta of certain collections of electrical particles (also known as “handedness” are critical components in constructing the logical propositions of the perplex number “spine”. Biological communication channels can function if and only if the natural sorts and kinds are consistent with the matching patterns of the optical isomers. The terms spinners and twisters are introduced to express the electro-mechanical torques necessary for encoding chemical information. This hypothesis can be tested by several categories of experiments, including clinical pharmaco-dynamics and clinical toxico-dynamics of dissymmetric isomers of different sorts and kinds.

Radiative corrections to fermion matter and nontopological solitons

International Nuclear Information System (INIS)

Perry, R.J.

1984-01-01

This thesis addresses the effects of one loop radiative corrections to fermion matter and nontopological solitons. The effective action formalism is employed to explore the effects of these corrections on the ground state energy and scalar field expectation value of a system containing valence fermions, which are introduced using a chemical potential. This formalism is discussed extensively, and detailed calculations are presented for the Friedberg-Lee model. The techniques illustrated can be used in any renormalizable field theory and can be extended to include higher order quantum corrections

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....

Natural background levels and threshold values of chemical species in three large-scale groundwater bodies in Northern Italy

International Nuclear Information System (INIS)

Molinari, Antonio; Guadagnini, Laura; Marcaccio, Marco; Guadagnini, Alberto

2012-01-01

We analyze natural background levels (NBLs) and threshold values (TVs) of spatially distributed chemical species (NH 4 , B and As) which may be a potential pressure and concern in three large scale alluvial and fluvio-deltaic aquifers at different depths of the Apennines and Po river plains in Emilia–Romagna, Northern Italy. Our results are based on statistical methodologies designed to separate the natural and anthropogenic contributions in monitored concentrations by modeling the empirical distribution of the detected concentration with a mixture of probability density functions. Available chemical observations are taken over a 20 years period and are associated with different depths and cover planar investigation scales of the order of hundreds of kilometers. High concentration values detected for NH 4 and B appear to be related to high natural background levels. Due to interaction with the host rock in different geochemical environments we observed that concentration vary in time and space (including in depth) consistently with the hydrogeochemical features and the occurrence of natural attenuation mechanisms in the analyzed reservoirs. Conversely, estimated As NBLs are not consistent with the conceptual model of the hydrogeochemical behavior of the systems analyzed and experimental evidences of As content in aquifer cores. This is due to the inability of these techniques to incorporate the complex dynamics of the processes associated with the specific hydrogeochemical setting. Statistical analyses performed upon aggregating the concentration data according to different time observation windows allow identifying temporal dynamics of NBLs and TVs of target compounds within the observation time frame. Our results highlight the benefit of a dynamic monitoring process and analysis of well demarcated groundwater bodies to update the associated NBLs as a function of the temporal dependence of natural processes occurring in the subsurface. Monitoring protocols could

High order corrections to the renormalon

International Nuclear Information System (INIS)

Faleev, S.V.

1997-01-01

High order corrections to the renormalon are considered. Each new type of insertion into the renormalon chain of graphs generates a correction to the asymptotics of perturbation theory of the order of ∝1. However, this series of corrections to the asymptotics is not the asymptotic one (i.e. the mth correction does not grow like m.). The summation of these corrections for the UV renormalon may change the asymptotics by a factor N δ . For the traditional IR renormalon the mth correction diverges like (-2) m . However, this divergence has no infrared origin and may be removed by a proper redefinition of the IR renormalon. On the other hand, for IR renormalons in hadronic event shapes one should naturally expect these multiloop contributions to decrease like (-2) -m . Some problems expected upon reaching the best accuracy of perturbative QCD are also discussed. (orig.)

Corrective agricultural actions: ecological bases and problems relating to their implementation

International Nuclear Information System (INIS)

Vandecasteele, C.M.; Burton, O.; Kirchmann, R.

1997-01-01

Several types of corrective actions. more or less scientific or empirical, were implemented aiming at limiting the contamination of products ingested by human population or animals. Although based on scientific reasons rather a significant number of measures seem to be inapplicable or too expensive to be put into effect in real situations. Generally, preference should be given to the corrective actions the application of which would imply not new technologies, requiring specific checking periods before becoming operative, but currently available materials and machines. Better results may be obtained often by resorting to combinations of measures ran either simultaneously or sequentially. The efficiency of directives may vary depending on the conditions of implementing and sometimes may be accompanied by undesirable side-effects. For instance, lime used in excess may entail precipitation of micro-nutrients and induce deficiencies in the plants and animals nourished with deficient forage; substantial fertilization of a semi-natural system may result in profound modifications of the ecosystems. It is worth noting that certain measures are irreversible or almost so and that the situation can be hardly restored if these measures were not rationally applied. The sections of the papers deal with: contamination direct and indirect of vegetation, the radioactivity transfer to animals, influence of chemical properties of the radionuclides, influence of chemical species, influence of alimentary regime, the species idiosyncrasy, physiological parameters, limiting the contamination of animal products and food processing

Hydrogen production from natural gas using an iron-based chemical looping technology: Thermodynamic simulations and process system analysis

International Nuclear Information System (INIS)

Kathe, Mandar V.; Empfield, Abbey; Na, Jing; Blair, Elena; Fan, Liang-Shih

2016-01-01

Highlights: • Design of iron-based chemical looping process using moving bed for H_2 from CH_4. • Auto-thermal operation design using thermodynamic rationale for 90% carbon capture. • Cold gas efficiency: 5% points higher than Steam Methane Reforming baseline case. • Net thermal efficiency: 6% points higher than Steam Methane Reforming baseline case. • Sensitivity analysis: Energy recovery scheme, operating pressure, no carbon capture. - Abstract: Hydrogen (H_2) is a secondary fuel derived from natural gas. Currently, H_2 serves as an important component in refining operations, fertilizer production, and is experiencing increased utilization in the transportation industry as a clean combustion fuel. In recent years, industry and academia have focused on developing technology that reduces carbon emissions. As a result, there has been an increase in the technological developments for producing H_2 from natural gas. These technologies aim to minimize the cost increment associated with clean energy production. The natural gas processing chemical looping technology, developed at The Ohio State University (OSU), employs an iron-based oxygen carrier and a novel gas–solid counter-current moving bed reactor for H_2 production. Specifically, this study examines the theoretical thermodynamic limits for full conversion of natural gas through iron-based oxygen carrier reactions with methane (CH_4), by utilizing simulations generated with ASPEN modeling software. This study initially investigates the reducer and the oxidizer thermodynamic phase diagrams then derives an optimal auto-thermal operating condition for the complete loop simulation. This complete loop simulation is initially normalized for analysis on the basis of one mole of carbon input from natural gas. The H_2 production rate is then scaled to match that of the baseline study, using a full-scale ASPEN simulation for computing cooling loads, water requirements and net parasitic energy consumption. The

Using the Socioscientific Context of Climate Change to Teach Chemical Content and the Nature of Science

Science.gov (United States)

Flener-Lovitt, Charity

2014-01-01

A thematic course called "Climate Change: Chemistry and Controversy" was developed for upper-level non-STEM students. This course used the socioscientific context of climate change to teach chemical principles and the nature of science. Students used principles of agnotology (direct study of misinformation) to debunk climate change…

Corrective Action Investigation Plan for Corrective Action Unit 571: Area 9 Yucca Flat Plutonium Dispersion Sites, Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Bailey, Bernadine; Matthews, Patrick

2013-07-01

CAU 571 is a grouping of sites where there has been a suspected release of contamination associated with nuclear testing. This document describes the planned investigation of CAU 571, which comprises the following corrective action sites (CASs): • 09-23-03, Atmospheric Test Site S-9F • 09-23-04, Atmospheric Test Site T9-C • 09-23-12, Atmospheric Test Site S-9E • 09-23-13, Atmospheric Test Site T-9D • 09-45-01, Windrows Crater These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the investigation report. The sites will be investigated based on the data quality objectives (DQOs) developed on March 6, 2013, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office (now the Nevada Field Office). The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 571. The site investigation process will also be conducted in accordance with the Soils Activity Quality Assurance Plan, which establishes requirements, technical planning, and general quality practices to be applied to this activity. The potential contamination sources associated with CAU 571 CASs are from nuclear testing activities. The DQO process resulted in an assumption that total effective dose (TED) within a default contamination boundary exceeds the final action level (FAL) and requires corrective action. The presence and nature of contamination outside the default

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

Internal Domains of Natural Porous Media Revealed: Critical Locations for Transport, Storage, and Chemical Reaction

Energy Technology Data Exchange (ETDEWEB)

Zachara, John M.; Brantley, Susan L.; Chorover, Jon D.; Ewing, Robert P.; Kerisit, Sebastien N.; Liu, Chongxuan; Perfect, E.; Rother, Gernot; Stack, Andrew G.

2016-03-16

Internal pore domains exist within rocks, lithic fragments, subsurface sediments and soil aggregates. These domains, which we term internal domains in porous media (IDPM), contain a significant fraction of their porosity as nanopores, dominate the reactive surface area of diverse porous media types, and are important locations for chemical reactivity and hydrocarbon storage. Traditionally difficult to interrogate, advances in instrumentation and imaging methods are providing new insights on the physical structures and chemical attributes of IDPM. In this review we: discuss analytical methods to characterize IDPM, evaluate what has been learned about their size distributions, connectivity, and extended structures; determine whether they exhibit unique chemical reactivity; and assess potential for their inclusion in reactive transport models. Three key findings are noteworthy. 1) A combination of methods now allows complete characterization of the porosity spectrum of natural materials and its connectivity; while imaging microscopies are providing three dimensional representations of the interconnected pore network. 2) Chemical reactivity in pores <10 nm is expected to be different from micro and macropores, yet research performed to date is inconclusive on the nature, direction, and magnitude of effect. 3) Existing continuum reactive transport models treat IDPM as a sub-grid feature with average, empirical, scale-dependent parameters; and are not formulated to include detailed information on pore networks. Overall we find that IDPM are key features controlling hydrocarbon release from shales in hydrofracking systems, organic matter stabilization and recalcitrance in soil, weathering and soil formation, and long term inorganic and organic contaminant behavior in the vadose zone and groundwater. We conclude with an assessment of impactful research opportunities to advance understanding of IDPM, and to incorporate their important effects in reactive transport models

Technical approaches of a natural dye extracted from Phytolacca americana L.-berries with chemical mordants.

Science.gov (United States)

Park, Su-Youn; Jung, Suk-Yul

2014-01-01

Phytolacca americana L. is a large semi-succulent herbaceous plant which reaches three meters in height. It is native to eastern North America, the Midwest, and the Gulf Coast, with more scattered populations in the far West. It is imported into Korea and has been frequently used as a traditional natural drug for diseases such as systemic edema and nephritis. Its berries, that is, fruits are shiny dark purple held in racemous clusters on pink pedicels with a pink peduncle. They are round with a flat indented top and bottom. Immature berries are green, maturing into white and then blackish purple. It is not well known how the berries are used for a natural staining yet. In this study, using Phytolacca americana L.-berries, a natural staining was analyzed. Moreover, due to the broad use of chemical mordants, five different mordants including copper acetate, aluminum potassium sulfate, sodium tartrate plus citric acid, Iron II sulfate and potassium dichromate were combined. Extracted dye from the berries stained silk fabrics with ivory. The original purple color from the berries disappeared and transformed into ivory. Although the silk fabrics were differentially stained by the berries that were combined with mordants of aluminum potassium sulfate, sodium tartrate plus citric acid and potassium dichromate, only differences in lightness and darkness were observed. Interestingly, the combination of the dye from the berries with a mordant of copper acetate and Iron II sulfate induced the staining of the silk fabrics into khaki and dark khaki, respectively. This study is the first systemic report on staining silk fabrics with Phytolacca americana L.-berries and chemical mordants and suggests application of natural products to the fiber industry.

Estimating pesticide sampling rates by the polar organic chemical integrative sampler (POCIS) in the presence of natural organic matter and varying hydrodynamic conditions

International Nuclear Information System (INIS)

Charlestra, Lucner; Amirbahman, Aria; Courtemanch, David L.; Alvarez, David A.; Patterson, Howard

2012-01-01

The polar organic chemical integrative sampler (POCIS) was calibrated to monitor pesticides in water under controlled laboratory conditions. The effect of natural organic matter (NOM) on the sampling rates (R s ) was evaluated in microcosms containing −1 of total organic carbon (TOC). The effect of hydrodynamics was studied by comparing R s values measured in stirred (SBE) and quiescent (QBE) batch experiments and a flow-through system (FTS). The level of NOM in the water used in these experiments had no effect on the magnitude of the pesticide sampling rates (p > 0.05). However, flow velocity and turbulence significantly increased the sampling rates of the pesticides in the FTS and SBE compared to the QBE (p < 0.001). The calibration data generated can be used to derive pesticide concentrations in water from POCIS deployed in stagnant and turbulent environmental systems without correction for NOM. - Highlights: ► We assessed the effect of TOC and stirring on pesticide sampling rates by POCIS. ► Total organic carbon (TOC) had no effect on the sampling rates. ► Water flow and stirring significantly increased the magnitude of the sampling rates. ► The sampling rates generated are directly applicable to field conditions. - This study provides POCIS sampling rates data that can be used to estimate freely dissolved concentrations of toxic pesticides in natural waters.

Metabiotics: novel idea or natural development of probiotic conception

Directory of Open Access Journals (Sweden)

Boris A. Shenderov

2013-04-01

Full Text Available Traditionally, probiotics are live microorganisms that are considered to be both beneficial and safe. Unfortunately, their effects may be short-lived, inconsequential, or ambiguous. Some symbiotic (probiotic microorganisms with known health benefits may cause opportunistic infections, increase incidence of allergic sensitization and autoimmune disorders, produce microecological imbalance, modify gene expression, transfer genes that are virulent and resistant to antibiotics, cause disorders in epigenome and genome integrity, induce chromosomal DNA damage, and activate signaling pathways associated with cancer and other chronic diseases. As of now, the commercially available probiotics serve as a first-generation means of correcting microecological disorders. Further development will include the selection of natural metabiotics and/or formulation of synthetic (or semi-synthetic metabiotics that will be analogies or improvised versions of natural bioactives, produced by symbiotic (probiotic microorganisms. Metabiotics are structural components of probiotic microorganisms and/or formulation of and/or signaling molecules with a determined (known chemical structure that can optimize host-specific physiological functions and regulate metabolic and/or behavior reactions connected with the activity of host indigenous microbiota. Metabiotics are advantageous because of their chemical structure, dosage, safety, and long shelf-life. Thus, metabiotics should not be considered a myth; they are the result of the natural evolution of probiotic conception.

Corrective Action Investigation Plan for Corrective Action Unit 552: Area 12 Muckpile and Ponds, Nevada Test Site, Nevada, Rev. 1

Energy Technology Data Exchange (ETDEWEB)

Robert F. Boehlecke

2005-01-01

Corrective Action Unit 552 is being investigated because man-made radionuclides and chemical contaminants may be present in concentrations that could potentially pose an unacceptable risk to human health and/or the environment. The CAI will be conducted following the data quality objectives (DQOs) developed by representatives of the Nevada Division of Environmental Protection (NDEP) and the DOE National Nuclear Security Administration Nevada Site Office (NNSA/NSO). The DQOs are used to identify the type, amount, and quality of data needed to define the nature and extent of contamination and identify and evaluate the most appropriate corrective action alternatives for CAU 552. The primary problem statement for the investigation is: ''Existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives for CAS 12-23-05.'' To address this problem statement, the resolution of the following two decision statements is required: (1) The Decision I statement is: ''Is a contaminant present within the CAU at a concentration that could pose an unacceptable risk to human health and the environment?'' Any site-related contaminant detected at a concentration exceeding the corresponding preliminary action level (PAL), as defined in Section A.1.4.2, will be considered a contaminant of concern (COC). A COC is defined as a site-related constituent that exceeds the screening criteria (PAL). The presence of a contaminant within each CAS is defined as the analytical detection of a COC. (2) The Decision II statement is: ''Determine the extent of contamination identified above PALs.'' This decision will be achieved by the collection of data that are adequate to define the extent of COCs. Decision II samples are used to determine the lateral and vertical extent of the contamination as well as the likelihood of COCs to migrate outside of the site

On Neglecting Chemical Exchange When Correcting in Vivo 31P MRS Data for Partial Saturation: Commentary on: ``Pitfalls in the Measurement of Metabolite Concentrations Using the One-Pulse Experiment in in Vivo NMR''

Science.gov (United States)

Ouwerkerk, Ronald; Bottomley, Paul A.

2001-04-01

This article replies to Spencer et al. (J. Magn. Reson.149, 251-257, 2001) concerning the degree to which chemical exchange affects partial saturation corrections using saturation factors. Considering the important case of in vivo31P NMR, we employ differential analysis to demonstrate a broad range of experimental conditions over which chemical exchange minimally affects saturation factors, and near-optimum signal-to-noise ratio is preserved. The analysis contradicts Spencer et al.'s broad claim that chemical exchange results in a strong dependence of saturation factors upon M0's and T1 and exchange parameters. For Spencer et al.'s example of a dynamic 31P NMR experiment in which phosphocreatine varies 20-fold, we show that our strategy of measuring saturation factors at the start and end of the study reduces errors in saturation corrections to 2% for the high-energy phosphates.

Assessment of Application Technology of Natural User Interfaces in the Creation of a Virtual Chemical Laboratory

Science.gov (United States)

Jagodzinski, Piotr; Wolski, Robert

2015-01-01

Natural User Interfaces (NUI) are now widely used in electronic devices such as smartphones, tablets and gaming consoles. We have tried to apply this technology in the teaching of chemistry in middle school and high school. A virtual chemical laboratory was developed in which students can simulate the performance of laboratory activities similar…

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.

Direct determination of Cd and Pb in human urine by GFAAS with deuterium-lamp background correction using different chemical modifiers

International Nuclear Information System (INIS)

Husakova, L.; Baoinova, M.; Sramkova, J.; Cernohorsky, T.

2007-01-01

Several authors have contributed to the elaboration of methodology for direct determination of Cd and Pb in urine by graphite furnace atomic absorption spectrometry (GFAAS). In the proposed approaches, Zeeman background correction systems were predominantly used, without paying much attention to the selection of an appropriate chemical modifier. However, systematic studies on eleven recommended and less commonly used modifiers have resulted in optimization of atomization conditions, so that accurate analysis also with the use of D 2 -lamp background correction became possible. This was confirmed by comparative measurements using both background correction systems. For determination of Cd in urine, NH 4 F has been selected resulting in the lowest limit of detection (LOD): 0.07 μg L -1 . NH 4 F promotes efficient atomization at low temperatures and suppresses chloride interference effect. Pd + Sr (nitrate) has been selected as the most adequate modifier for determination of Pb. Its presence raised the maximum tolerable pyrolysis temperature up to 1200 o C, which resulted in the maximum reduction of the background signal and the lowest LOD of 1.5 mg L -1 for Pb (10 μL aliquots of dispensed urine). Applying the above modifiers to the analysis of standards and samples, direct aqueous calibration for accurate analysis of diluted and acidified urine samples became possible. Accuracy of the analysis was verified by the use of commercially available quality control reference materials. (authors)

Combining polar organic chemical integrative samplers (POCIS) with toxicity testing to evaluate pesticide mixture effects on natural phototrophic biofilms

International Nuclear Information System (INIS)

Pesce, Stephane; Morin, Soizic; Lissalde, Sophie; Montuelle, Bernard; Mazzella, Nicolas

2011-01-01

Polar organic chemical integrative samplers (POCIS) are valuable tools in passive sampling methods for monitoring polar organic pesticides in freshwaters. Pesticides extracted from the environment using such methods can be used to toxicity tests. This study evaluated the acute effects of POCIS extracts on natural phototrophic biofilm communities. Our results demonstrate an effect of POCIS pesticide mixtures on chlorophyll a fluorescence, photosynthetic efficiency and community structure. Nevertheless, the range of biofilm responses differs according to origin of the biofilms tested, revealing spatial variations in the sensitivity of natural communities in the studied stream. Combining passive sampler extracts with community-level toxicity tests offers promising perspectives for ecological risk assessment. - Research highlights: → Polar organic chemical integrative samplers (POCIS) were used for monitoring polar organic pesticides in a contaminated river. → The acute effects of POCIS extracts were tested on natural phototrophic biofilm communities. → POCIS pesticide mixtures affected chlorophyll a fluorescence, photosynthetic efficiency and community structure. → Biofilm responses differed according to origin of the biofilms tested, revealing variations in the sensitivity of natural communities. → Combining passive sampler extracts with community-level toxicity tests offers promising perspectives for ecological risk assessment. - Pesticide mixtures extracted from POCIS can affect chl a fluorescence, photosynthetic efficiency and community structure of natural biofilms.

Natural background levels and threshold values of chemical species in three large-scale groundwater bodies in Northern Italy

Energy Technology Data Exchange (ETDEWEB)

Molinari, Antonio, E-mail: ant.molinari2002@libero.it [Politecnico di Milano, Dipartimento di Ingegneria Idraulica, Ambientale, Infrastrutture Viarie e Rilevamento, Piazza L. Da Vinci, 32-20133 Milano (Italy); Guadagnini, Laura [Politecnico di Milano, Dipartimento di Ingegneria Idraulica, Ambientale, Infrastrutture Viarie e Rilevamento, Piazza L. Da Vinci, 32-20133 Milano (Italy); Marcaccio, Marco [ARPA Emilia-Romagna, Direzione Tecnica, Largo Caduti del Lavoro, 6-40122 Bologna (Italy); Guadagnini, Alberto [Politecnico di Milano, Dipartimento di Ingegneria Idraulica, Ambientale, Infrastrutture Viarie e Rilevamento, Piazza L. Da Vinci, 32-20133 Milano (Italy)

2012-05-15

We analyze natural background levels (NBLs) and threshold values (TVs) of spatially distributed chemical species (NH{sub 4}, B and As) which may be a potential pressure and concern in three large scale alluvial and fluvio-deltaic aquifers at different depths of the Apennines and Po river plains in Emilia-Romagna, Northern Italy. Our results are based on statistical methodologies designed to separate the natural and anthropogenic contributions in monitored concentrations by modeling the empirical distribution of the detected concentration with a mixture of probability density functions. Available chemical observations are taken over a 20 years period and are associated with different depths and cover planar investigation scales of the order of hundreds of kilometers. High concentration values detected for NH{sub 4} and B appear to be related to high natural background levels. Due to interaction with the host rock in different geochemical environments we observed that concentration vary in time and space (including in depth) consistently with the hydrogeochemical features and the occurrence of natural attenuation mechanisms in the analyzed reservoirs. Conversely, estimated As NBLs are not consistent with the conceptual model of the hydrogeochemical behavior of the systems analyzed and experimental evidences of As content in aquifer cores. This is due to the inability of these techniques to incorporate the complex dynamics of the processes associated with the specific hydrogeochemical setting. Statistical analyses performed upon aggregating the concentration data according to different time observation windows allow identifying temporal dynamics of NBLs and TVs of target compounds within the observation time frame. Our results highlight the benefit of a dynamic monitoring process and analysis of well demarcated groundwater bodies to update the associated NBLs as a function of the temporal dependence of natural processes occurring in the subsurface. Monitoring

Hypothesis, Prediction, and Conclusion: Using Nature of Science Terminology Correctly

Science.gov (United States)

Eastwell, Peter

2012-01-01

This paper defines the terms "hypothesis," "prediction," and "conclusion" and shows how to use the terms correctly in scientific investigations in both the school and science education research contexts. The scientific method, or hypothetico-deductive (HD) approach, is described and it is argued that an understanding of the scientific method,…

Corrective Action Investigation Plan for Corrective Action Unit 561: Waste Disposal Areas, Nevada Test Site, Nevada, Revision 0

International Nuclear Information System (INIS)

Grant Evenson

2008-01-01

Corrective Action Unit (CAU) 561 is located in Areas 1, 2, 3, 5, 12, 22, 23, and 25 of the Nevada Test Site, which is approximately 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 561 is comprised of the 10 corrective action sites (CASs) listed below: (1) 01-19-01, Waste Dump; (2) 02-08-02, Waste Dump and Burn Area; (3) 03-19-02, Debris Pile; (4) 05-62-01, Radioactive Gravel Pile; (5) 12-23-09, Radioactive Waste Dump; (6) 22-19-06, Buried Waste Disposal Site; (7) 23-21-04, Waste Disposal Trenches; (8) 25-08-02, Waste Dump; (9) 25-23-21, Radioactive Waste Dump; and (10) 25-25-19, Hydrocarbon Stains and Trench. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Additional information will be obtained by conducting a corrective action investigation before evaluating corrective action alternatives and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on April 28, 2008, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture; and National Security Technologies, LLC. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 561. Appendix A provides a detailed discussion of the DQO methodology and the DQOs specific to each CAS. The scope of the Corrective Action Investigation for CAU 561 includes the following activities: (1) Move surface debris and/or materials, as needed, to facilitate sampling. (2) Conduct

Chemical behavior of long-lived radionuclides in the marine environment

International Nuclear Information System (INIS)

Edgington, D.N.; Nelson, D.M.

1983-01-01

Measurements of long-lived radionuclides in the marine environment have provided a wealth of information regarding the physical, biological, and chemical processes which control the behavior of these and many other pollutants in the oceans. Their value as tracers for the dispersion, transport, and fate of pollutants in the oceans is largely dependent on the chemical properties of each individual radioelement. Differences in these properties, particularly in relation to their interaction with biotic or abiotic particulate matter, result in the separation of parent-daughter radioisotopes in the natural radioelement series or in changes in the ratios of fission and activation products. Such differences have provided the means to provide time scales for a variey of transport processes and to determine sedimentation rates. The properties of these radionuclides in the oceans can, in general, be predicted from the chemical properties of the stable elements. For those elements such as plutonium, for which there are no naturally-occurring stable isotopes, studies of their distribution in the oceans have provided a new important understanding of their chemical behavior. This behavior has not always agreed with what would have been predicted from laboratory studies carried out at far higher concentrations. Differences between observed distributions and laboratory predictions have highlighted the importance of correct experimental conditions in order to avoid confusing experimental artifacts. The interaction of radionuclides with particles in the oceans and marine sediments can be described in terms of simple ion exchange or adsorption equilibria

Natural radioactivity levels and heavy metals in chemical and organic fertilizers used in Kingdom of Saudi Arabia.

Science.gov (United States)

El-Taher, A; Althoyaib, S S

2012-01-01

The present work deals with identifying and determining the activity levels of natural occuring radionuclides, (226)Ra and (232)Th series, their decay products and (40)K, in chemical and organic fertilizers used in Kingdom of Saudi Arabia. A total of 30 samples: 20 phosphatic fertilizers (single super-phosphate SSP and triple super-phosphate,TSP) and 10 organic fertilizers (cow, sheep and chicken) collected from markets and farms. The gamma-ray spectrometer consists of NaI(Tl) detector and its electronic circuit was used for measuring γ-ray spectra. The ranges of radioactivity levels of (226)Ra, (232)Th and (40)K in chemical fertilizers are 51.5±5.2-106.3±7.5, 5.1±1.6-9.9±3.2. and 462.6±21-607.3±14Bqkg(-1), respectively. The activities of (226)Ra, (232)Th and (40)K in natural fertilizers (cow, sheep and chicken) are lower than the activities in chemical fertilizers. The obtained data are compared with available reported data from other countries in literature. The Ra(eq) in chemical fertilizer ranges from 100.37 to 161.43Bqkg(-1) and in organic fertilizer ranges from 34.07 to 102.19Bqkg(-1), which are lower than the limit of 370Bqkg(-1) adopted from NEA-OECD (1979). The average heavy metal (Pb, Cd, Ni, Co and Cr) contents of the fertilizers marketed in the Kingdom of Saudi Arabia are also determined and within the limits of those used worldwide. Copyright © 2011 Elsevier Ltd. All rights reserved.

Determination and Correction of Persistent Biases in Quantum Annealers

Science.gov (United States)

2016-08-25

for all of the qubits. Narrowing of the bias distribution. To show the correctability of the persistent biases , we ran the experiment described above...this is a promising application for bias correction . Importantly, while the J biases determined here are in general smaller than the h biases , numerical...1Scientific RepoRts | 6:18628 | DOI: 10.1038/srep18628 www.nature.com/scientificreports Determination and correction of persistent biases in quantum

Semiempirical Quantum-Chemical Orthogonalization-Corrected Methods: Benchmarks for Ground-State Properties.

Science.gov (United States)

Dral, Pavlo O; Wu, Xin; Spörkel, Lasse; Koslowski, Axel; Thiel, Walter

2016-03-08

The semiempirical orthogonalization-corrected OMx methods (OM1, OM2, and OM3) go beyond the standard MNDO model by including additional interactions in the electronic structure calculation. When augmented with empirical dispersion corrections, the resulting OMx-Dn approaches offer a fast and robust treatment of noncovalent interactions. Here we evaluate the performance of the OMx and OMx-Dn methods for a variety of ground-state properties using a large and diverse collection of benchmark sets from the literature, with a total of 13035 original and derived reference data. Extensive comparisons are made with the results from established semiempirical methods (MNDO, AM1, PM3, PM6, and PM7) that also use the NDDO (neglect of diatomic differential overlap) integral approximation. Statistical evaluations show that the OMx and OMx-Dn methods outperform the other methods for most of the benchmark sets.

On the Design of Error-Correcting Ciphers

Directory of Open Access Journals (Sweden)

Mathur Chetan Nanjunda

2006-01-01

Full Text Available Securing transmission over a wireless network is especially challenging, not only because of the inherently insecure nature of the medium, but also because of the highly error-prone nature of the wireless environment. In this paper, we take a joint encryption-error correction approach to ensure secure and robust communication over the wireless link. In particular, we design an error-correcting cipher (called the high diffusion cipher and prove bounds on its error-correcting capacity as well as its security. Towards this end, we propose a new class of error-correcting codes (HD-codes with built-in security features that we use in the diffusion layer of the proposed cipher. We construct an example, 128-bit cipher using the HD-codes, and compare it experimentally with two traditional concatenated systems: (a AES (Rijndael followed by Reed-Solomon codes, (b Rijndael followed by convolutional codes. We show that the HD-cipher is as resistant to linear and differential cryptanalysis as the Rijndael. We also show that any chosen plaintext attack that can be performed on the HD cipher can be transformed into a chosen plaintext attack on the Rijndael cipher. In terms of error correction capacity, the traditional systems using Reed-Solomon codes are comparable to the proposed joint error-correcting cipher and those that use convolutional codes require more data expansion in order to achieve similar error correction as the HD-cipher. The original contributions of this work are (1 design of a new joint error-correction-encryption system, (2 design of a new class of algebraic codes with built-in security criteria, called the high diffusion codes (HD-codes for use in the HD-cipher, (3 mathematical properties of these codes, (4 methods for construction of the codes, (5 bounds on the error-correcting capacity of the HD-cipher, (6 mathematical derivation of the bound on resistance of HD cipher to linear and differential cryptanalysis, (7 experimental comparison

Modular verification of chemical reaction network encodings via serializability analysis

Science.gov (United States)

Lakin, Matthew R.; Stefanovic, Darko; Phillips, Andrew

2015-01-01

Chemical reaction networks are a powerful means of specifying the intended behaviour of synthetic biochemical systems. A high-level formal specification, expressed as a chemical reaction network, may be compiled into a lower-level encoding, which can be directly implemented in wet chemistry and may itself be expressed as a chemical reaction network. Here we present conditions under which a lower-level encoding correctly emulates the sequential dynamics of a high-level chemical reaction network. We require that encodings are transactional, such that their execution is divided by a “commit reaction” that irreversibly separates the reactant-consuming phase of the encoding from the product-generating phase. We also impose restrictions on the sharing of species between reaction encodings, based on a notion of “extra tolerance”, which defines species that may be shared between encodings without enabling unwanted reactions. Our notion of correctness is serializability of interleaved reaction encodings, and if all reaction encodings satisfy our correctness properties then we can infer that the global dynamics of the system are correct. This allows us to infer correctness of any system constructed using verified encodings. As an example, we show how this approach may be used to verify two- and four-domain DNA strand displacement encodings of chemical reaction networks, and we generalize our result to the limit where the populations of helper species are unlimited. PMID:27325906

Surgical correction of postoperative astigmatism

Directory of Open Access Journals (Sweden)

Lindstrom Richard

1990-01-01

Full Text Available The photokeratoscope has increased the understanding of the aspheric nature of the cornea as well as a better understanding of normal corneal topography. This has significantly affected the development of newer and more predictable models of surgical astigmatic correction. Relaxing incisions effectively flatten the steeper meridian an equivalent amount as they steepen the flatter meridian. The net change in spherical equivalent is, therefore, negligible. Poor predictability is the major limitation of relaxing incisions. Wedge resection can correct large degrees of postkeratoplasty astigmatism, Resection of 0.10 mm of tissue results in approximately 2 diopters of astigmatic correction. Prolonged postoperative rehabilitation and induced irregular astigmatism are limitations of the procedure. Transverse incisions flatten the steeper meridian an equivalent amount as they steepen the flatter meridian. Semiradial incisions result in two times the amount of flattening in the meridian of the incision compared to the meridian 90 degrees away. Combination of transverse incisions with semiradial incisions describes the trapezoidal astigmatic keratotomy. This procedure may correct from 5.5 to 11.0 diopters dependent upon the age of the patient. The use of the surgical keratometer is helpful in assessing a proper endpoint during surgical correction of astigmatism.

Research Regarding The Impact Of Chemical Fertilizers Upon The Soil

Directory of Open Access Journals (Sweden)

Daniel Călugăr

2010-06-01

Full Text Available Chemical fertilizers need to be used according to the natural fertility of the soil, to the ecological conditions and the cultivation requirements for nourishing elements. Keeping this in mind, they will not have any negative effects over the surrounding environment. But if the optimal doses are not respected the soil will be polluted. Regarding this matter a study has been made that showed that if the correct dosage is not respected this could lead to the acidification of the soil to such a level that it won’t be suitable for agricultural purposes. Even if excess usage of fertilizers does not cause any changes in the soils texture, it can still contribute to its pure quality. If the correct dosage and the period of administration is respected than the soil will be improved with nourishing elements, this leading to a better agricultural production.

Corrective Action Decision Document/Corrective Action Plan for Corrective Action Unit 573: Alpha Contaminated Sites Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Matthews, Patrick [Nevada Site Office, Las Vegas, NV (United States)

2016-02-01

CAU 573 comprises the following corrective action sites (CASs): • 05-23-02, GMX Alpha Contaminated Area • 05-45-01, Atmospheric Test Site - Hamilton These two CASs include the release at the Hamilton weapons-related tower test and a series of 29 atmospheric experiments conducted at GMX. The two CASs are located in two distinctly separate areas within Area 5. To facilitate site investigation and data quality objective (DQO) decisions, all identified releases (i.e., CAS components) were organized into study groups. The reporting of investigation results and the evaluation of DQO decisions are at the release level. The corrective action alternatives (CAAs) were evaluated at the FFACO CAS level. The purpose of this CADD/CAP is to evaluate potential CAAs, provide the rationale for the selection of recommended CAAs, and provide the plan for implementation of the recommended CAA for CAU 573. Corrective action investigation (CAI) activities were performed from January 2015 through November 2015, as set forth in the CAU 573 Corrective Action Investigation Plan (CAIP). Analytes detected during the CAI were evaluated against appropriate final action levels (FALs) to identify the contaminants of concern. Assessment of the data generated from investigation activities conducted at CAU 573 revealed the following: • Radiological contamination within CAU 573 does not exceed the FALs (based on the Occasional Use Area exposure scenario). • Chemical contamination within CAU 573 does not exceed the FALs. • Potential source material—including lead plates, lead bricks, and lead-shielded cables—was removed during the investigation and requires no additional corrective action.

Corrective Action Decision Document/Corrective Action Plan for Corrective Action Unit 573: Alpha Contaminated Sites Nevada National Security Site, Nevada, Revision 0

International Nuclear Information System (INIS)

Matthews, Patrick

2016-01-01

CAU 573 comprises the following corrective action sites (CASs): • 05-23-02, GMX Alpha Contaminated Area • 05-45-01, Atmospheric Test Site - Hamilton These two CASs include the release at the Hamilton weapons-related tower test and a series of 29 atmospheric experiments conducted at GMX. The two CASs are located in two distinctly separate areas within Area 5. To facilitate site investigation and data quality objective (DQO) decisions, all identified releases (i.e., CAS components) were organized into study groups. The reporting of investigation results and the evaluation of DQO decisions are at the release level. The corrective action alternatives (CAAs) were evaluated at the FFACO CAS level. The purpose of this CADD/CAP is to evaluate potential CAAs, provide the rationale for the selection of recommended CAAs, and provide the plan for implementation of the recommended CAA for CAU 573. Corrective action investigation (CAI) activities were performed from January 2015 through November 2015, as set forth in the CAU 573 Corrective Action Investigation Plan (CAIP). Analytes detected during the CAI were evaluated against appropriate final action levels (FALs) to identify the contaminants of concern. Assessment of the data generated from investigation activities conducted at CAU 573 revealed the following: • Radiological contamination within CAU 573 does not exceed the FALs (based on the Occasional Use Area exposure scenario). • Chemical contamination within CAU 573 does not exceed the FALs. • Potential source material - including lead plates, lead bricks, and lead-shielded cables was removed during the investigation and requires no additional corrective action.

Endocrine-Disrupting Chemicals and Oil and Natural Gas Operations: Potential Environmental Contamination and Recommendations to Assess Complex Environmental Mixtures.

Science.gov (United States)

Kassotis, Christopher D; Tillitt, Donald E; Lin, Chung-Ho; McElroy, Jane A; Nagel, Susan C

2016-03-01

Hydraulic fracturing technologies, developed over the last 65 years, have only recently been combined with horizontal drilling to unlock oil and gas reserves previously deemed inaccessible. Although these technologies have dramatically increased domestic oil and natural gas production, they have also raised concerns for the potential contamination of local water supplies with the approximately 1,000 chemicals that are used throughout the process, including many known or suspected endocrine-disrupting chemicals. We discuss the need for an endocrine component to health assessments for drilling-dense regions in the context of hormonal and antihormonal activities for chemicals used. We discuss the literature on a) surface and groundwater contamination by oil and gas extraction operations, and b) potential human exposure, particularly in the context of the total hormonal and antihormonal activities present in surface and groundwater from natural and anthropogenic sources; we also discuss initial analytical results and critical knowledge gaps. In light of the potential for environmental release of oil and gas chemicals that can disrupt hormone receptor systems, we recommend methods for assessing complex hormonally active environmental mixtures. We describe a need for an endocrine-centric component for overall health assessments and provide information supporting the idea that using such a component will help explain reported adverse health trends as well as help develop recommendations for environmental impact assessments and monitoring programs.

Endocrine-disrupting chemicals and oil and natural gas operations: Potential environmental contamination and recommendations to assess complex environmental mixtures

Science.gov (United States)

Kassotis, Christopher D.; Tillitt, Donald E.; Lin, Chung-Ho; McElroy, Jane A.; Nagel, Susan C.

2016-01-01

Background: Hydraulic fracturing technologies, developed over the last 65 years, have only recently been combined with horizontal drilling to unlock oil and gas reserves previously deemed inaccessible. While these technologies have dramatically increased domestic oil and natural gas production, they have also raised concerns for the potential contamination of local water supplies with the approximately 1,000 chemicals used throughout the process, including many known or suspected endocrine-disrupting chemicals.Objectives: We discuss the need for an endocrine component to health assessments for drilling-dense regions in the context of hormonal and anti-hormonal activities for chemicals used.Methods: We discuss the literature on 1) surface and ground water contamination by oil and gas extraction operations, and 2) potential human exposure, particularly in context of the total hormonal and anti-hormonal activities present in surface and ground water from natural and anthropogenic sources, with initial analytical results and critical knowledge gaps discussed.Discussion: In light of the potential for environmental release of oil and gas chemicals that can disrupt hormone receptor systems, we recommend methods for assessing complex hormonally active environmental mixtures.Conclusions: We describe a need for an endocrine-centric component for overall health assessments and provide supporting information that using this may help explain reported adverse health trends as well as help develop recommendations for environmental impact assessments and monitoring programs.

Effect of natural and artificial drying of leaf biomassof Psidium guajava on the content and chemical composition of essential oil

Directory of Open Access Journals (Sweden)

Elizabeth Aparecida Josefi da Silva

2016-10-01

Full Text Available Psidium guajava L. is native to Central and South America. It is widely distributed and well adapted to Brazil, a producer of essential oils rich in terpenes. The objective of this study was to evaluate the effects of natural and artificial drying on the content and chemical composition of the essential oil of guava leaves (Psidium guajava L. grown in Rio Verde (GO. The two treatments consisted of drying fresh leaves either naturally in the shade or artificially at 40°C. Chemical composition was analyzed qualitatively and quantitatively by gas coupled with mass spectrometer chromatography (GC/MS and gas chromatography using a flame ionizer (GC-FID, respectively. The method of drying changed the content and chemical composition of the essential oil of guava leaves. Drying in the shade reduced the content and altered the constituents of the essential oil, whereas drying in an oven at 40°C, despite having reduced the amounts of the constituents, exhibited the highest essential oil content and increased the concentration of certain major constituents as compared to that in the natural shade drying method. The major components found in the essential oil of leaves regardless of the drying processes were trans-caryophyllene, ?-humulene, aromadendrene, ?-selinene, and selin-11-en-4?-ol. According to reports in the literature, these compounds possess fungicidal, insecticidal, antimicrobial, and anti-inflammatory activity, among others beneficial actions.

Kinetics of Natural Attenuation: Review of the Critical Chemical Conditions and Measurements at Bore Scale

Directory of Open Access Journals (Sweden)

O. Atteia

2002-01-01

Full Text Available This paper describes the chemical conditions that should favour the biodegradation of organic pollutants. Thermodynamic considerations help to define the reaction that can occur under defined chemical conditions. The BTEX (benzene, toluene, ethylbenzene, and xylene degradation is focused on benzene, as it is the most toxic oil component and also because it has the slowest degradation rate under most field conditions. Several studies on benzene degradation allow the understanding of the basic degradation mechanisms and their importance in field conditions. The use of models is needed to interpret field data when transport, retardation, and degradation occur. A detailed comparison of two existing models shows that the limits imposed by oxygen transport must be simulated precisely to reach correct plumes shapes and dimensions, and that first-order kinetic approaches may be misleading. This analysis led us to develop a technique to measure directly biodegradation in the field. The technique to recirculate water at the borehole scale and the CO2 analysis are depicted. First results of biodegradation show that this technique is able to easily detect the degradation of 1 mg/l of hydrocarbons and that, in oxic media, a fast degradation rate of mixed fuel is observed.

Power corrections to the HTL effective Lagrangian of QED

Science.gov (United States)

Carignano, Stefano; Manuel, Cristina; Soto, Joan

2018-05-01

We present compact expressions for the power corrections to the hard thermal loop (HTL) Lagrangian of QED in d space dimensions. These are corrections of order (L / T) 2, valid for momenta L ≪ T, where T is the temperature. In the limit d → 3 we achieve a consistent regularization of both infrared and ultraviolet divergences, which respects the gauge symmetry of the theory. Dimensional regularization also allows us to witness subtle cancellations of infrared divergences. We also discuss how to generalize our results in the presence of a chemical potential, so as to obtain the power corrections to the hard dense loop (HDL) Lagrangian.

Magnesium carbide synthesis from methane and magnesium oxide - a potential methodology for natural gas conversion to premium fuels and chemicals

Energy Technology Data Exchange (ETDEWEB)

Diaz, A.F.; Modestino, A.J.; Howard, J.B. [Massachusetts Institute of Technology, Cambridge, MA (United States)] [and others

1995-12-31

Diversification of the raw materials base for manufacturing premium fuels and chemicals offers U.S. and international consumers economic and strategic benefits. Extensive reserves of natural gas in the world provide a valuable source of clean gaseous fuel and chemical feedstock. Assuming the availability of suitable conversion processes, natural gas offers the prospect of improving flexibility in liquid fuels and chemicals manufacture, and thus, the opportunity to complement, supplement, or displace petroleum-based production as economic and strategic considerations require. The composition of natural gas varies from reservoir to reservoir but the principal hydrocarbon constituent is always methane (CH{sub 4}). With its high hydrogen-to-carbon ratio, methane has the potential to produce hydrogen or hydrogen-rich products. However, methane is a very chemically stable molecule and, thus, is not readily transformed to other molecules or easily reformed to its elements (H{sub 2} and carbon). In many cases, further research is needed to augment selectivity to desired product(s), increase single-pass conversions, or improve economics (e.g. there have been estimates of $50/bbl or more for liquid products) before the full potential of these methodologies can be realized on a commercial scale. With the trade-off between gas conversion and product selectivity, a major challenge common to many of these technologies is to simultaneously achieve high methane single-pass conversions and high selectivity to desired products. Based on the results of the scoping runs, there appears to be strong indications that a breakthrough has finally been achieved in that synthesis of magnesium carbides from MgO and methane in the arc discharge reactor has been demonstrated.

Occurrence of pesticide non extractable residues in physical and chemical fractions from two natural soils.

Science.gov (United States)

Andreou, K.; Jones, K.; Semple, K.

2009-04-01

Distribution of pesticide non extractable residues resulted from the incubation of two natural soils with each of the isoproturon, diazinon and cypermethrin pesticide was assessed in this study. Pesticide non extractable residues distribution in soil physical and chemical fractions is known to ultimately affect their fate. This study aimed to address the fate and behaviour of the non extractable residues in the context of their association with soil physical and chemical fractions with varying properties and characteristics. Non extractable residues were formed from incubation of each pesticide in the two natural soils over a period of 24 months. Soils containing the non extractable residues were fractionated into three solid phase fractions using a physical fractionation procedure as follows: Sediment (SED, >20 μm), (II) Microaggregate (MA, 20-2 μm) and (III) Colloid phase (COL, 2-0.05 μm). Each soil fraction was then fractionated into organic carbon chemical fractionations as follows: Fulvic acid (FA), Humic acid (HA) and Humin (HM). Significant amount of the pesticides was lost during the incubation period. Enrichment factors for the organic carbon and the 14C-pesticide residues were higher in the MA and COL fraction rather than the SED fraction. Greater association and enrichment of the fulvic acid fraction of the organic carbon in the soil was observed. Non extractable residues at the FA fraction showed to diminish while in the HA fraction were increased with decreasing the fraction size. An appreciable amount of non extractable residues were located in the HM fraction but this was less than the amount recovered in the humic substances. Long term fate of pesticide non extractable residues in the soil structural components is important in order to assess any risk associated with them.

Pion properties at finite isospin chemical potential with isospin symmetry breaking

Science.gov (United States)

Wu, Zuqing; Ping, Jialun; Zong, Hongshi

2017-12-01

Pion properties at finite temperature, finite isospin and baryon chemical potentials are investigated within the SU(2) NJL model. In the mean field approximation for quarks and random phase approximation fpr mesons, we calculate the pion mass, the decay constant and the phase diagram with different quark masses for the u quark and d quark, related to QCD corrections, for the first time. Our results show an asymmetry between μI 0 in the phase diagram, and different values for the charged pion mass (or decay constant) and neutral pion mass (or decay constant) at finite temperature and finite isospin chemical potential. This is caused by the effect of isospin symmetry breaking, which is from different quark masses. Supported by National Natural Science Foundation of China (11175088, 11475085, 11535005, 11690030) and the Fundamental Research Funds for the Central Universities (020414380074)

Corrective Action Investigation Plan for Corrective Action Unit 573: Alpha Contaminated Sites, Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Matthews, Patrick

2014-05-01

Corrective Action Unit (CAU) 573 is located in Area 5 of the Nevada National Security Site, which is approximately 65 miles northwest of Las Vegas, Nevada. CAU 573 is a grouping of sites where there has been a suspected release of contamination associated with non-nuclear experiments and nuclear testing. This document describes the planned investigation of CAU 573, which comprises the following corrective action sites (CASs): • 05-23-02, GMX Alpha Contaminated Area • 05-45-01, Atmospheric Test Site - Hamilton These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives.

Electron nature of chemically active state of spiropyran with nitro group. Dependence of efficiency of radiation colouring of spiropyrans on their structure

International Nuclear Information System (INIS)

Kholmanskij, A.S.; Zubkov, A.V.; Dyumaev, K.M.

1980-01-01

Using the theory of solvatochromy it is shown that chemically active state of spiropyran with nitro group is its highly polar electron-excitated state. On the basis of the image on the electron nature of chemically active state of spiropyran the dependence of the values of radiation yield of the coloured forms of spiropyrans upon their structure is explained

Corrective Action Investigation plan for Corrective Action Unit 546: Injection Well and Surface Releases, Nevada Test Site, Nevada, Revision 0

International Nuclear Information System (INIS)

Alfred Wickline

2008-01-01

Corrective Action Unit (CAU) 546 is located in Areas 6 and 9 of the Nevada Test Site, which is approximately 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 546 is comprised of two Corrective Action Sites (CASs) listed below: 06-23-02, U-6a/Russet Testing Area 09-20-01, Injection Well These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Additional information will be obtained by conducting a corrective action investigation (CAI) before evaluating corrective action alternatives and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on November 8, 2007, by representatives of the Nevada Division of Environmental Protection and U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office. The DQO process has been used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 546

75 FR 5536 - Pipeline Safety: Control Room Management/Human Factors, Correction

Science.gov (United States)

2010-02-03

... DEPARTMENT OF TRANSPORTATION Pipeline and Hazardous Materials Safety Administration 49 CFR Parts...: Control Room Management/Human Factors, Correction AGENCY: Pipeline and Hazardous Materials Safety... following correcting amendments: PART 192--TRANSPORTATION OF NATURAL AND OTHER GAS BY PIPELINE: MINIMUM...

Logarithmic black hole entropy corrections and holographic Renyi entropy

Energy Technology Data Exchange (ETDEWEB)

Mahapatra, Subhash [The Institute of Mathematical Sciences, Chennai (India); KU Leuven - KULAK, Department of Physics, Kortrijk (Belgium)

2018-01-15

The entanglement and Renyi entropies for spherical entangling surfaces in CFTs with gravity duals can be explicitly calculated by mapping these entropies first to the thermal entropy on hyperbolic space and then, using the AdS/CFT correspondence, to the Wald entropy of topological black holes. Here we extend this idea by taking into account corrections to the Wald entropy. Using the method based on horizon symmetries and the asymptotic Cardy formula, we calculate corrections to the Wald entropy and find that these corrections are proportional to the logarithm of the area of the horizon. With the corrected expression for the entropy of the black hole, we then find corrections to the Renyi entropies. We calculate these corrections for both Einstein and Gauss-Bonnet gravity duals. Corrections with logarithmic dependence on the area of the entangling surface naturally occur at the order G{sub D}{sup 0}. The entropic c-function and the inequalities of the Renyi entropy are also satisfied even with the correction terms. (orig.)

Logarithmic black hole entropy corrections and holographic Renyi entropy

International Nuclear Information System (INIS)

Mahapatra, Subhash

2018-01-01

The entanglement and Renyi entropies for spherical entangling surfaces in CFTs with gravity duals can be explicitly calculated by mapping these entropies first to the thermal entropy on hyperbolic space and then, using the AdS/CFT correspondence, to the Wald entropy of topological black holes. Here we extend this idea by taking into account corrections to the Wald entropy. Using the method based on horizon symmetries and the asymptotic Cardy formula, we calculate corrections to the Wald entropy and find that these corrections are proportional to the logarithm of the area of the horizon. With the corrected expression for the entropy of the black hole, we then find corrections to the Renyi entropies. We calculate these corrections for both Einstein and Gauss-Bonnet gravity duals. Corrections with logarithmic dependence on the area of the entangling surface naturally occur at the order G D 0 . The entropic c-function and the inequalities of the Renyi entropy are also satisfied even with the correction terms. (orig.)

Corrective Action Investigation Plan for Corrective Action Unit 139: Waste Disposal Sites, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

Grant Evenson

2006-01-01

Corrective Action Unit (CAU) 139 is located in Areas 3, 4, 6, and 9 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 139 is comprised of the seven corrective action sites (CASs) listed below: (1) 03-35-01, Burn Pit; (2) 04-08-02, Waste Disposal Site; (3) 04-99-01, Contaminated Surface Debris; (4) 06-19-02, Waste Disposal Site/Burn Pit; (5) 06-19-03, Waste Disposal Trenches; (6) 09-23-01, Area 9 Gravel Gertie; and (7) 09-34-01, Underground Detection Station. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives with the exception of CASs 09-23-01 and 09-34-01. Regarding these two CASs, CAS 09-23-01 is a gravel gertie where a zero-yield test was conducted with all contamination confined to below ground within the area of the structure, and CAS 09-34-01 is an underground detection station where no contaminants are present. Additional information will be obtained by conducting a corrective action investigation (CAI) before evaluating corrective action alternatives and selecting the appropriate corrective action for the other five CASs where information is insufficient. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on January 4, 2006, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture; and Bechtel Nevada. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 139

Corrective Action Investigation Plan for Corrective Action Unit 561: Waste Disposal Areas, Nevada Test Site, Nevada with ROTC 1, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Grant Evenson

2008-07-01

Corrective Action Unit (CAU) 561 is located in Areas 1, 2, 3, 5, 12, 22, 23, and 25 of the Nevada Test Site, which is approximately 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 561 is comprised of the 10 corrective action sites (CASs) listed below: • 01-19-01, Waste Dump • 02-08-02, Waste Dump and Burn Area • 03-19-02, Debris Pile • 05-62-01, Radioactive Gravel Pile • 12-23-09, Radioactive Waste Dump • 22-19-06, Buried Waste Disposal Site • 23-21-04, Waste Disposal Trenches • 25-08-02, Waste Dump • 25-23-21, Radioactive Waste Dump • 25-25-19, Hydrocarbon Stains and Trench These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Additional information will be obtained by conducting a corrective action investigation before evaluating corrective action alternatives and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on April 28, 2008, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture; and National Security Technologies, LLC. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 561. Appendix A provides a detailed discussion of the DQO methodology and the DQOs specific to each CAS. The scope of the Corrective Action Investigation for CAU 561 includes the following activities: • Move surface debris and/or materials, as needed, to facilitate sampling. • Conduct radiological surveys

Correction in the efficiency of uranium purification process by solvent extraction

International Nuclear Information System (INIS)

Franca Junior, J.M.

1981-01-01

An uranium solvent extraction, of high purification, with full advantage of absorbed uranium in the begining of process, is described. Including a pulsed column, called correction column, the efficiency of whole process is increased, dispensing the recycling of uranium losses from leaching column. With the correction column the uranium losses go in continuity, for reextraction column, increasing the efficiency of process. The purified uranium is removed in the reextraction column in aqueous phase. The correction process can be carried out with full efficiency using pulsed columns or chemical mixer-settlers. (M.C.K.) [pt

Optimization of the linear-scaling local natural orbital CCSD(T) method: Redundancy-free triples correction using Laplace transform

Science.gov (United States)

Nagy, Péter R.; Kállay, Mihály

2017-06-01

An improved algorithm is presented for the evaluation of the (T) correction as a part of our local natural orbital (LNO) coupled-cluster singles and doubles with perturbative triples [LNO-CCSD(T)] scheme [Z. Rolik et al., J. Chem. Phys. 139, 094105 (2013)]. The new algorithm is an order of magnitude faster than our previous one and removes the bottleneck related to the calculation of the (T) contribution. First, a numerical Laplace transformed expression for the (T) fragment energy is introduced, which requires on average 3 to 4 times fewer floating point operations with negligible compromise in accuracy eliminating the redundancy among the evaluated triples amplitudes. Second, an additional speedup factor of 3 is achieved by the optimization of our canonical (T) algorithm, which is also executed in the local case. These developments can also be integrated into canonical as well as alternative fragmentation-based local CCSD(T) approaches with minor modifications. As it is demonstrated by our benchmark calculations, the evaluation of the new Laplace transformed (T) correction can always be performed if the preceding CCSD iterations are feasible, and the new scheme enables the computation of LNO-CCSD(T) correlation energies with at least triple-zeta quality basis sets for realistic three-dimensional molecules with more than 600 atoms and 12 000 basis functions in a matter of days on a single processor.

Volatile chemical interaction between undamaged plants

OpenAIRE

Glinwood, Robert

2010-01-01

This chapter discusses whether plant chemical communication is a mechanism by which plant genetic diversity can affect the natural enemies of herbivores. Plant genetic diversity influences natural enemies, and these insects use volatile chemical cues to locate suitable habitats. However, the importance of chemical communication for these interactions has not been considered. In this chapter, the latest research on chemical communication between undamaged plants is reviewed. ...

Methyl chloride via oxyhydrochlorination of methane: A building block for chemicals and fuels from natural gas. Environmental assessment

International Nuclear Information System (INIS)

1996-09-01

DOE's natural gas mission, in partnership with its stakeholders, is to undertake and promote activities to maximize the Nation's ability to supply, transport, and use natural gas to encourage economic growth, enhance energy interests security, and improve the environment. In implementing this mission, DOE has been involved in promoting domestic natural gas as a clean, abundant, and reliable source of energy. In particular, DOE is interested in technologies capable of converting natural gas to other valuable resources, such as transportation fuels, hydrogen, and premium chemicals. The purpose of the proposed action is to further examine the potential of one such technology for natural gas conversion. Over the past five years, DOE's Pittsburgh Energy Technology Center has supported a research program to determine the feasibility of producing methyl chloride (CH 3 Cl), a key ingredient used in the silicone industry, directly from methane (the primary component of natural gas) via an oxyhydrochlorination (OHC) process. As a result of this research program the OHC process is now ready for further development. The proposed action would advance the OHC natural gas conversion technology to an integrated engineering-scale process at the Dow Corning plant in Carrollton, Kentucky

Effect of chemical heterogeneity of biodegradable polymers on surface energy: A static contact angle analysis of polyester model films

Energy Technology Data Exchange (ETDEWEB)

Belibel, R.; Avramoglou, T. [INSERM U1148, Laboratory for Vascular Translational Science (LVTS), Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France); Garcia, A. [CNRS UPR 3407, Laboratoire des Sciences des Procédés et des Matériau, Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France); Barbaud, C. [INSERM U1148, Laboratory for Vascular Translational Science (LVTS), Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France); Mora, L., E-mail: Laurence.mora@univ-paris13.fr [INSERM U1148, Laboratory for Vascular Translational Science (LVTS), Institut Galilée, Université Paris 13, Sorbonne Paris Cité, 99 Avenue Jean-Baptiste Clément, Villetaneuse F-93430 (France)

2016-02-01

Biodegradable and bioassimilable poly((R,S)-3,3 dimethylmalic acid) (PDMMLA) derivatives were synthesized and characterized in order to develop a new coating for coronary endoprosthesis enabling the reduction of restenosis. The PDMMLA was chemically modified to form different custom groups in its side chain. Three side groups were chosen: the hexyl group for its hydrophobic nature, the carboxylic acid and alcohol groups for their acid and neutral hydrophilic character, respectively. The sessile drop method was applied to characterize the wettability of biodegradable polymer film coatings. Surface energy and components were calculated. The van Oss approach helped reach not only the dispersive and polar acid–base components of surface energy but also acid and basic components. Surface topography was quantified by atomic force microscopy (AFM) and subnanometer average values of roughness (Ra) were obtained for all the analyzed surfaces. Thus, roughness was considered to have a negligible effect on wettability measurements. In contrast, heterogeneous surfaces had to be corrected by the Cassie–Baxter equation for copolymers (10/90, 20/80 and 30/70). The impact of this correction was quantified for all the wettability parameters. Very high relative corrections (%) were found, reaching 100% for energies and 30% for contact angles. - Highlights: • We develop different polymers with various chemical compositions. • Wettability properties were calculated using Cassie corrected contact angles. • Percentage of acid groups in polymers is directly correlated to acid part of SFE. • Cassie corrections are necessary for heterogeneous polymers.

Correction

DEFF Research Database (Denmark)

Pinkevych, Mykola; Cromer, Deborah; Tolstrup, Martin

2016-01-01

[This corrects the article DOI: 10.1371/journal.ppat.1005000.][This corrects the article DOI: 10.1371/journal.ppat.1005740.][This corrects the article DOI: 10.1371/journal.ppat.1005679.].......[This corrects the article DOI: 10.1371/journal.ppat.1005000.][This corrects the article DOI: 10.1371/journal.ppat.1005740.][This corrects the article DOI: 10.1371/journal.ppat.1005679.]....

Corrective measures evaluation report for Tijeras Arroyo groundwater.

Energy Technology Data Exchange (ETDEWEB)

Witt, Johnathan L (North Wind, Inc., Idaho Falls, ID); Orr, Brennon R. (North Wind, Inc., Idaho Falls, ID); Dettmers, Dana L. (North Wind, Inc., Idaho Falls, ID); Hall, Kevin A. (North Wind, Inc., Idaho Falls, ID); Howard, M. Hope (North Wind, Inc., Idaho Falls, ID)

2005-08-01

This Corrective Measures Evaluation report was prepared as directed by a Compliance Order on Consent issued by the New Mexico Environment Department to document the process of selecting the preferred remedial alternative for Tijeras Arroyo Groundwater. Supporting information includes background concerning the site conditions and potential receptors and an overview of work performed during the Corrective Measures Evaluation. The evaluation of remedial alternatives included identifying and describing four remedial alternatives, an overview of the evaluation criteria and approach, comparing remedial alternatives to the criteria, and selecting the preferred remedial alternative. As a result of the Corrective Measures Evaluation, monitored natural attenuation of the contaminants of concern (trichloroethene and nitrate) is the preferred remedial alternative for implementation as the corrective measure for Tijeras Arroyo Groundwater. Design criteria to meet cleanup goals and objectives and the corrective measures implementation schedule for the preferred remedial alternative are also presented.

Corrective Action Investigation Plan for Corrective Action Unit 137: Waste Disposal Sites, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

Wickline, Alfred

2005-01-01

This Corrective Action Investigation Plan (CAIP) contains project-specific information including facility descriptions, environmental sample collection objectives, and criteria for conducting site investigation activities at Corrective Action Unit (CAU) 137: Waste Disposal Sites. This CAIP has been developed in accordance with the ''Federal Facility Agreement and Consent Order'' (FFACO) (1996) that was agreed to by the State of Nevada, the U.S. Department of Energy (DOE), and the U.S. Department of Defense. Corrective Action Unit 137 contains sites that are located in Areas 1, 3, 7, 9, and 12 of the Nevada Test Site (NTS), which is approximately 65 miles (mi) northwest of Las Vegas, Nevada (Figure 1-1). Corrective Action Unit 137 is comprised of the eight corrective action sites (CASs) shown on Figure 1-1 and listed below: (1) CAS 01-08-01, Waste Disposal Site; (2) CAS 03-23-01, Waste Disposal Site; (3) CAS 03-23-07, Radioactive Waste Disposal Site; (4) CAS 03-99-15, Waste Disposal Site; (5) CAS 07-23-02, Radioactive Waste Disposal Site; (6) CAS 09-23-07, Radioactive Waste Disposal Site; (7) CAS 12-08-01, Waste Disposal Site; and (8) CAS 12-23-07, Waste Disposal Site. The Corrective Action Investigation (CAI) will include field inspections, radiological surveys, geophysical surveys, sampling of environmental media, analysis of samples, and assessment of investigation results, where appropriate. Data will be obtained to support corrective action alternative evaluations and waste management decisions. The CASs in CAU 137 are being investigated because hazardous and/or radioactive constituents may be present in concentrations that could potentially pose a threat to human health and the environment. Existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives for the CASs. Additional information will be generated by conducting a CAI before evaluating and selecting corrective action

Holographic corrections to meson scattering amplitudes

Energy Technology Data Exchange (ETDEWEB)

Armoni, Adi; Ireson, Edwin, E-mail: 746616@swansea.ac.uk

2017-06-15

We compute meson scattering amplitudes using the holographic duality between confining gauge theories and string theory, in order to consider holographic corrections to the Veneziano amplitude and associated higher-point functions. The generic nature of such computations is explained, thanks to the well-understood nature of confining string backgrounds, and two different examples of the calculation in given backgrounds are used to illustrate the details. The effect we discover, whilst only qualitative, is re-obtainable in many such examples, in four-point but also higher point amplitudes.

Geological Corrections in Gravimetry

Science.gov (United States)

Mikuška, J.; Marušiak, I.

2015-12-01

Applying corrections for the known geology to gravity data can be traced back into the first quarter of the 20th century. Later on, mostly in areas with sedimentary cover, at local and regional scales, the correction known as gravity stripping has been in use since the mid 1960s, provided that there was enough geological information. Stripping at regional to global scales became possible after releasing the CRUST 2.0 and later CRUST 1.0 models in the years 2000 and 2013, respectively. Especially the later model provides quite a new view on the relevant geometries and on the topographic and crustal densities as well as on the crust/mantle density contrast. Thus, the isostatic corrections, which have been often used in the past, can now be replaced by procedures working with an independent information interpreted primarily from seismic studies. We have developed software for performing geological corrections in space domain, based on a-priori geometry and density grids which can be of either rectangular or spherical/ellipsoidal types with cells of the shapes of rectangles, tesseroids or triangles. It enables us to calculate the required gravitational effects not only in the form of surface maps or profiles but, for instance, also along vertical lines, which can shed some additional light on the nature of the geological correction. The software can work at a variety of scales and considers the input information to an optional distance from the calculation point up to the antipodes. Our main objective is to treat geological correction as an alternative to accounting for the topography with varying densities since the bottoms of the topographic masses, namely the geoid or ellipsoid, generally do not represent geological boundaries. As well we would like to call attention to the possible distortions of the corrected gravity anomalies. This work was supported by the Slovak Research and Development Agency under the contract APVV-0827-12.

Relative Configuration of Natural Products Using NMR Chemical Shifts

Science.gov (United States)

By comparing calculated with experimental NMR chemical shifts, we were able to determine the relative configurations of three monoterpene diastereomers produced by the walkingstick Anisomorpha buprestoides. The combined RMSDs of both 1H and 13C quantum chemically calculated shifts were able to predi...

Aerial Photography and Imagery, Ortho-Corrected, Spring 2006 - natural color - countywide 12 inch pixel orthophotography - County of Polk, Wisconsin, Published in 2006, 1:2400 (1in=200ft) scale, Polk County Government.

Data.gov (United States)

NSGIC Local Govt | GIS Inventory — Aerial Photography and Imagery, Ortho-Corrected dataset current as of 2006. Spring 2006 - natural color - countywide 12 inch pixel orthophotography - County of Polk,...

Measurement and correction of chromaticity in Hefei light source

International Nuclear Information System (INIS)

Sun Baogen; Xu Hongliang; He Duohui; Wang Junhua; Lu Ping

2001-01-01

The measurement and correction of chromaticity for Hefei light source is introduced. The natural chromaticity is obtained by detecting the variation of the betatron tune with the main dipole field strength. The correction chromaticity is obtained by detecting the variation of the betatron tune with the RF frequency. The theoretic analysis and formula for the two methods is given. The measurement results of chromaticity are given

Corrective Action Investigation Plan for Corrective Action Unit 214: Bunkers and Storage Areas Nevada Test Site, Nevada

International Nuclear Information System (INIS)

2003-01-01

This Corrective Action Investigation Plan contains the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office's approach to collect the data necessary to evaluate corrective action alternatives appropriate for the closure of Corrective Action Unit (CAU) 214 under the Federal Facility Agreement and Consent Order. Located in Areas 5, 11, and 25 of the Nevada Test Site, CAU 214 consists of nine Corrective Action Sites (CASs): 05-99-01, Fallout Shelters; 11-22-03, Drum; 25-99-12, Fly Ash Storage; 25-23-01, Contaminated Materials; 25-23-19, Radioactive Material Storage; 25-99-18, Storage Area; 25-34-03, Motor Dr/Gr Assembly (Bunker); 25-34-04, Motor Dr/Gr Assembly (Bunker); and 25-34-05, Motor Dr/Gr Assembly (Bunker). These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). The suspected contaminants and critical analyte s for CAU 214 include oil (total petroleum hydrocarbons-diesel-range organics [TPH-DRO], polychlorinated biphenyls [PCBs]), pesticides (chlordane, heptachlor, 4,4-DDT), barium, cadmium, chronium, lubricants (TPH-DRO, TPH-gasoline-range organics [GRO]), and fly ash (arsenic). The land-use zones where CAU 214 CASs are located dictate that future land uses will be limited to nonresidential (i.e., industrial) activities. The results of this field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the corrective action decision document

Nonuniform Illumination Correction Algorithm for Underwater Images Using Maximum Likelihood Estimation Method

Directory of Open Access Journals (Sweden)

Sonali Sachin Sankpal

2016-01-01

Full Text Available Scattering and absorption of light is main reason for limited visibility in water. The suspended particles and dissolved chemical compounds in water are also responsible for scattering and absorption of light in water. The limited visibility in water results in degradation of underwater images. The visibility can be increased by using artificial light source in underwater imaging system. But the artificial light illuminates the scene in a nonuniform fashion. It produces bright spot at the center with the dark region at surroundings. In some cases imaging system itself creates dark region in the image by producing shadow on the objects. The problem of nonuniform illumination is neglected by the researchers in most of the image enhancement techniques of underwater images. Also very few methods are discussed showing the results on color images. This paper suggests a method for nonuniform illumination correction for underwater images. The method assumes that natural underwater images are Rayleigh distributed. This paper used maximum likelihood estimation of scale parameter to map distribution of image to Rayleigh distribution. The method is compared with traditional methods for nonuniform illumination correction using no-reference image quality metrics like average luminance, average information entropy, normalized neighborhood function, average contrast, and comprehensive assessment function.

Anemonefishes rely on visual and chemical cues to correctly identify conspecifics

Science.gov (United States)

Johnston, Nicole K.; Dixson, Danielle L.

2017-09-01

Organisms rely on sensory cues to interpret their environment and make important life-history decisions. Accurate recognition is of particular importance in diverse reef environments. Most evidence on the use of sensory cues focuses on those used in predator avoidance or habitat recognition, with little information on their role in conspecific recognition. Yet conspecific recognition is essential for life-history decisions including settlement, mate choice, and dominance interactions. Using a sensory manipulated tank and a two-chamber choice flume, anemonefish conspecific response was measured in the presence and absence of chemical and/or visual cues. Experiments were then repeated in the presence or absence of two heterospecific species to evaluate whether a heterospecific fish altered the conspecific response. Anemonefishes responded to both the visual and chemical cues of conspecifics, but relied on the combination of the two cues to recognize conspecifics inside the sensory manipulated tank. These results contrast previous studies focusing on predator detection where anemonefishes were found to compensate for the loss of one sensory cue (chemical) by utilizing a second cue (visual). This lack of sensory compensation may impact the ability of anemonefishes to acclimate to changing reef environments in the future.

Logarithmic black hole entropy corrections and holographic Rényi entropy

Science.gov (United States)

Mahapatra, Subhash

2018-01-01

The entanglement and Rényi entropies for spherical entangling surfaces in CFTs with gravity duals can be explicitly calculated by mapping these entropies first to the thermal entropy on hyperbolic space and then, using the AdS/CFT correspondence, to the Wald entropy of topological black holes. Here we extend this idea by taking into account corrections to the Wald entropy. Using the method based on horizon symmetries and the asymptotic Cardy formula, we calculate corrections to the Wald entropy and find that these corrections are proportional to the logarithm of the area of the horizon. With the corrected expression for the entropy of the black hole, we then find corrections to the Rényi entropies. We calculate these corrections for both Einstein and Gauss-Bonnet gravity duals. Corrections with logarithmic dependence on the area of the entangling surface naturally occur at the order GD^0. The entropic c-function and the inequalities of the Rényi entropy are also satisfied even with the correction terms.

Video Error Correction Using Steganography

Science.gov (United States)

Robie, David L.; Mersereau, Russell M.

2002-12-01

The transmission of any data is always subject to corruption due to errors, but video transmission, because of its real time nature must deal with these errors without retransmission of the corrupted data. The error can be handled using forward error correction in the encoder or error concealment techniques in the decoder. This MPEG-2 compliant codec uses data hiding to transmit error correction information and several error concealment techniques in the decoder. The decoder resynchronizes more quickly with fewer errors than traditional resynchronization techniques. It also allows for perfect recovery of differentially encoded DCT-DC components and motion vectors. This provides for a much higher quality picture in an error-prone environment while creating an almost imperceptible degradation of the picture in an error-free environment.

Influences of chemical and non-chemical stressors on childhood obesity

Science.gov (United States)

Background/Aim: Children are exposed to diverse chemical and non-chemical stressors in their built, natural, and social environments; and these are thought to contribute to their health and well-being during each developmental stage throughout life. Here we focus on growing evide...

Microbial chemical factories: recent advances in pathway engineering for synthesis of value added chemicals.

Science.gov (United States)

Dhamankar, Himanshu; Prather, Kristala L J

2011-08-01

The dwindling nature of petroleum and other fossil reserves has provided impetus towards microbial synthesis of fuels and value added chemicals from biomass-derived sugars as a renewable resource. Microbes have naturally evolved enzymes and pathways that can convert biomass into hundreds of unique chemical structures, a property that can be effectively exploited for their engineering into Microbial Chemical Factories (MCFs). De novo pathway engineering facilitates expansion of the repertoire of microbially synthesized compounds beyond natural products. In this review, we visit some recent successes in such novel pathway engineering and optimization, with particular emphasis on the selection and engineering of pathway enzymes and balancing of their accessory cofactors. Copyright © 2011 Elsevier Ltd. All rights reserved.

Natural Chemical Composition of Commercial Fish Species: Characterisation of Pangasius, Wild and Farmed Turbot and Barramundi

Science.gov (United States)

Manthey-Karl, Monika; Lehmann, Ines; Ostermeyer, Ute; Schröder, Ute

2016-01-01

To comply with the relevant legal requirements and correct labelling, it is necessary for business operators and inspection authorities to know the natural characteristics of the raw material. This study gives a comprehensive overview of muscle flesh composition of farmed and wild Atlantic turbot (Scophthalmus maximus) and barramundi (Lates calcarifer) and of farmed pangasius (Pangasianodon hypophthalmus). The proximate composition, di- and triphosphates and citric acid values are presented in order to evaluate possible indicators for a hidden treatment during processing to fillets. All moisture contents were ≤80%. Even for pangasius, protein values for deep skinned fillets of ≥18% were determined. Only small quantities of naturally occurring citric acid (up to 0.03 g·kg−1) were detectable. The lipid content was the most varying main component within the different species, ranging between 1.2% to 2.0% and 0.3% to 3.0% for farmed turbot and barramundi, respectively. Pangasius flesh had a mean lipid content of 7.8%. Trimming and separation of the red layer reduced the lipid content of the commercially sold white-flesh fillets to 2.7% to 3.5%. Fatty acids profiles, free amino acids, and minerals were analysed to show the nutritional quality of the aquaculture fish species and compared to wild turbot and barramundi. Despite some natural variation, these components can be considered as comparable. PMID:28231154

Natural Chemical Composition of Commercial Fish Species: Characterisation of Pangasius, Wild and Farmed Turbot and Barramundi

Directory of Open Access Journals (Sweden)

Monika Manthey-Karl

2016-08-01

Full Text Available To comply with the relevant legal requirements and correct labelling, it is necessary for business operators and inspection authorities to know the natural characteristics of the raw material. This study gives a comprehensive overview of muscle flesh composition of farmed and wild Atlantic turbot (Scophthalmus maximus and barramundi (Lates calcarifer and of farmed pangasius (Pangasianodon hypophthalmus. The proximate composition, di- and triphosphates and citric acid values are presented in order to evaluate possible indicators for a hidden treatment during processing to fillets. All moisture contents were ≤80%. Even for pangasius, protein values for deep skinned fillets of ≥18% were determined. Only small quantities of naturally occurring citric acid (up to 0.03 g·kg−1 were detectable. The lipid content was the most varying main component within the different species, ranging between 1.2% to 2.0% and 0.3% to 3.0% for farmed turbot and barramundi, respectively. Pangasius flesh had a mean lipid content of 7.8%. Trimming and separation of the red layer reduced the lipid content of the commercially sold white-flesh fillets to 2.7% to 3.5%. Fatty acids profiles, free amino acids, and minerals were analysed to show the nutritional quality of the aquaculture fish species and compared to wild turbot and barramundi. Despite some natural variation, these components can be considered as comparable.

Video Error Correction Using Steganography

Directory of Open Access Journals (Sweden)

Robie David L

2002-01-01

Full Text Available The transmission of any data is always subject to corruption due to errors, but video transmission, because of its real time nature must deal with these errors without retransmission of the corrupted data. The error can be handled using forward error correction in the encoder or error concealment techniques in the decoder. This MPEG-2 compliant codec uses data hiding to transmit error correction information and several error concealment techniques in the decoder. The decoder resynchronizes more quickly with fewer errors than traditional resynchronization techniques. It also allows for perfect recovery of differentially encoded DCT-DC components and motion vectors. This provides for a much higher quality picture in an error-prone environment while creating an almost imperceptible degradation of the picture in an error-free environment.

Natural ventilation for free stall dairy barns

OpenAIRE

Gay, Susan Wood

2009-01-01

Natural ventilation is a result of a combination good construction, correct temperature, humidity control, air exchange. This publication discusses how to achieve natural ventilation in your structure.

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

Science.gov (United States)

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

2016-01-01

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

The relativistic Scott correction for atoms and molecules

DEFF Research Database (Denmark)

Solovej, Jan Philip; Sørensen, Thomas Østergaard; Spitzer, Wolfgang L.

We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here are of s......We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here...... are of semi-classical nature. Our result on atoms and molecules is proved from a general semi-classical estimate for relativistic operators with potentials with Coulomb-like singularities. This semi-classical estimate is obtained using the coherent state calculus introduced in [36]. The paper contains...

High SNR Acquisitions Improve the Repeatability of Liver Fat Quantification Using Confounder-corrected Chemical Shift-encoded MR Imaging

Science.gov (United States)

Motosugi, Utaroh; Hernando, Diego; Wiens, Curtis; Bannas, Peter; Reeder, Scott. B

2017-01-01

Purpose: To determine whether high signal-to-noise ratio (SNR) acquisitions improve the repeatability of liver proton density fat fraction (PDFF) measurements using confounder-corrected chemical shift-encoded magnetic resonance (MR) imaging (CSE-MRI). Materials and Methods: Eleven fat-water phantoms were scanned with 8 different protocols with varying SNR. After repositioning the phantoms, the same scans were repeated to evaluate the test-retest repeatability. Next, an in vivo study was performed with 20 volunteers and 28 patients scheduled for liver magnetic resonance imaging (MRI). Two CSE-MRI protocols with standard- and high-SNR were repeated to assess test-retest repeatability. MR spectroscopy (MRS)-based PDFF was acquired as a standard of reference. The standard deviation (SD) of the difference (Δ) of PDFF measured in the two repeated scans was defined to ascertain repeatability. The correlation between PDFF of CSE-MRI and MRS was calculated to assess accuracy. The SD of Δ and correlation coefficients of the two protocols (standard- and high-SNR) were compared using F-test and t-test, respectively. Two reconstruction algorithms (complex-based and magnitude-based) were used for both the phantom and in vivo experiments. Results: The phantom study demonstrated that higher SNR improved the repeatability for both complex- and magnitude-based reconstruction. Similarly, the in vivo study demonstrated that the repeatability of the high-SNR protocol (SD of Δ = 0.53 for complex- and = 0.85 for magnitude-based fit) was significantly higher than using the standard-SNR protocol (0.77 for complex, P magnitude-based fit, P = 0.003). No significant difference was observed in the accuracy between standard- and high-SNR protocols. Conclusion: Higher SNR improves the repeatability of fat quantification using confounder-corrected CSE-MRI. PMID:28190853

Corrective Action Plan for Corrective Action Unit 135: Area 25 Underground Storage Tanks, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

Cox, D. H.

2000-01-01

The Area 25 Underground Storage Tanks site Corrective Action Unit (CAU) 135 will be closed by unrestricted release decontamination and verification survey, in accordance with the Federal Facility Agreement and Consert Order (FFACO, 1996). The CAU includes one Corrective Action Site (CAS). The Area 25 Underground Storage Tanks, (CAS 25-02-01), referred to as the Engine-Maintenance Assembly and Disassembly (E-MAD) Waste Holdup Tanks and Vault, were used to receive liquid waste from all of the radioactive drains at the E-MAD Facility. Based on the results of the Corrective Action Investigation conducted in June 1999 discussed in the Corrective Action Investigation Plan for Corrective Action Unit 135: Area 25 Underground Storage Tanks, Nevada Test Site, Nevada (DOE/NV,1999a), one sample from the radiological survey of the concrete vault interior exceeded radionuclide preliminary action levels. The analytes from the sediment samples that exceeded the preliminary action levels are polychlorinated biphenyls, Resource Conservation and Recovery Act metals, total petroleum hydrocarbons as diesel-range organics, and radionuclides. Unrestricted release decontamination and verification involves removal of concrete and the cement-lined pump sump from the vault. After verification that the contamination has been removed, the vault will be repaired with concrete, as necessary. The radiological- and chemical-contaminated pump sump and concrete removed from the vault would be disposed of at the Area 5 Radioactive Waste Management Site. The vault interior will be field surveyed following removal of contaminated material to verify that unrestricted release criteria have been achieved

Corrective Action Plan for Corrective Action Unit 135: Area 25 Underground Storage Tanks, Nevada Test Site, Nevada

Energy Technology Data Exchange (ETDEWEB)

D. H. Cox

2000-07-01

The Area 25 Underground Storage Tanks site Corrective Action Unit (CAU) 135 will be closed by unrestricted release decontamination and verification survey, in accordance with the Federal Facility Agreement and Consert Order (FFACO, 1996). The CAU includes one Corrective Action Site (CAS). The Area 25 Underground Storage Tanks, (CAS 25-02-01), referred to as the Engine-Maintenance Assembly and Disassembly (E-MAD) Waste Holdup Tanks and Vault, were used to receive liquid waste from all of the radioactive drains at the E-MAD Facility. Based on the results of the Corrective Action Investigation conducted in June 1999 discussed in the Corrective Action Investigation Plan for Corrective Action Unit 135: Area 25 Underground Storage Tanks, Nevada Test Site, Nevada (DOE/NV,1999a), one sample from the radiological survey of the concrete vault interior exceeded radionuclide preliminary action levels. The analytes from the sediment samples that exceeded the preliminary action levels are polychlorinated biphenyls, Resource Conservation and Recovery Act metals, total petroleum hydrocarbons as diesel-range organics, and radionuclides. Unrestricted release decontamination and verification involves removal of concrete and the cement-lined pump sump from the vault. After verification that the contamination has been removed, the vault will be repaired with concrete, as necessary. The radiological- and chemical-contaminated pump sump and concrete removed from the vault would be disposed of at the Area 5 Radioactive Waste Management Site. The vault interior will be field surveyed following removal of contaminated material to verify that unrestricted release criteria have been achieved.

Corrective Action Investigation Plan for Corrective Action Unit 145: Wells and Storage Holes, Nevada Test Site, Nevada, Rev. No.: 0

Energy Technology Data Exchange (ETDEWEB)

David A. Strand

2004-09-01

This Corrective Action Investigation Plan (CAIP) contains project-specific information for conducting site investigation activities at Corrective Action Unit (CAU) 145: Wells and Storage Holes. Information presented in this CAIP includes facility descriptions, environmental sample collection objectives, and criteria for the selection and evaluation of environmental samples. Corrective Action Unit 145 is located in Area 3 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 145 is comprised of the six Corrective Action Sites (CASs) listed below: (1) 03-20-01, Core Storage Holes; (2) 03-20-02, Decon Pad and Sump; (3) 03-20-04, Injection Wells; (4) 03-20-08, Injection Well; (5) 03-25-01, Oil Spills; and (6) 03-99-13, Drain and Injection Well. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Additional information will be obtained by conducting a corrective action investigation (CAI) prior to evaluating corrective action alternatives and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. One conceptual site model with three release scenario components was developed for the six CASs to address all releases associated with the site. The sites will be investigated based on data quality objectives (DQOs) developed on June 24, 2004, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture; and Bechtel Nevada. The DQOs process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 145.

Chemical Biology of Microbial Anticancer Natural Products

DEFF Research Database (Denmark)

Bladt, Tanja Thorskov; Gotfredsen, Charlotte Held

than 100 years. New natural products (NPs) are continually discovered and with the increase in selective biological assays, previously described compounds often also display novel bioactivities, justifying their presence in novel screening efforts. Screening and discovery of compounds with activity...... towards chronic lymphocytic leukemia (CLL) cells is crucial since CLL is considered as an incurable disease. To discover novel agents that targets CLL cells is complicated. CLL cells rapidly undergo apoptosis in vitro when they are removed from their natural microenvironment, even though they are long...

Causal knowledge extraction by natural language processing in material science: a case study in chemical vapor deposition

Directory of Open Access Journals (Sweden)

Yuya Kajikawa

2006-11-01

Full Text Available Scientific publications written in natural language still play a central role as our knowledge source. However, due to the flood of publications, the literature survey process has become a highly time-consuming and tangled process, especially for novices of the discipline. Therefore, tools supporting the literature-survey process may help the individual scientist to explore new useful domains. Natural language processing (NLP is expected as one of the promising techniques to retrieve, abstract, and extract knowledge. In this contribution, NLP is firstly applied to the literature of chemical vapor deposition (CVD, which is a sub-discipline of materials science and is a complex and interdisciplinary field of research involving chemists, physicists, engineers, and materials scientists. Causal knowledge extraction from the literature is demonstrated using NLP.

Practical use of chemical shift databases for protein solid-state NMR: 2D chemical shift maps and amino-acid assignment with secondary-structure information

International Nuclear Information System (INIS)

Fritzsching, K. J.; Yang, Y.; Schmidt-Rohr, K.; Hong Mei

2013-01-01

We introduce a Python-based program that utilizes the large database of 13 C and 15 N chemical shifts in the Biological Magnetic Resonance Bank to rapidly predict the amino acid type and secondary structure from correlated chemical shifts. The program, called PACSYlite Unified Query (PLUQ), is designed to help assign peaks obtained from 2D 13 C– 13 C, 15 N– 13 C, or 3D 15 N– 13 C– 13 C magic-angle-spinning correlation spectra. We show secondary-structure specific 2D 13 C– 13 C correlation maps of all twenty amino acids, constructed from a chemical shift database of 262,209 residues. The maps reveal interesting conformation-dependent chemical shift distributions and facilitate searching of correlation peaks during amino-acid type assignment. Based on these correlations, PLUQ outputs the most likely amino acid types and the associated secondary structures from inputs of experimental chemical shifts. We test the assignment accuracy using four high-quality protein structures. Based on only the Cα and Cβ chemical shifts, the highest-ranked PLUQ assignments were 40–60 % correct in both the amino-acid type and the secondary structure. For three input chemical shifts (CO–Cα–Cβ or N–Cα–Cβ), the first-ranked assignments were correct for 60 % of the residues, while within the top three predictions, the correct assignments were found for 80 % of the residues. PLUQ and the chemical shift maps are expected to be useful at the first stage of sequential assignment, for combination with automated sequential assignment programs, and for highly disordered proteins for which secondary structure analysis is the main goal of structure determination.

Chemical sensors in natural water: peculiarities of behaviour of chalcogenide glass electrodes for determination of copper, lead and cadmium ions

International Nuclear Information System (INIS)

Seleznev, B.L.; Legin, A.V.; Vlasov, Yu.G.

1996-01-01

Specific features of chemical sensors (chalcogenide glass and crystal ion-selective electrodes) behaviour have been studied to determine copper (2), lead, cadmium and fluorine in the course of in situ measurements, including long-term uninterrupted testing, for solving the problem of inspection over natural water contamination. 16 refs., 3 figs., 2 tabs

Corrective Action Investigation Plan for Corrective Action Unit 365: Baneberry Contamination Area, Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Patrick Matthews

2010-12-01

Corrective Action Unit 365 comprises one corrective action site (CAS), CAS 08-23-02, U-8d Contamination Area. This site is being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for the CAS. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the Corrective Action Decision Document. The site will be investigated based on the data quality objectives (DQOs) developed on July 6, 2010, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for the Baneberry site. The primary release associated with Corrective Action Unit 365 was radiological contamination from the Baneberry nuclear test. Baneberry was an underground weapons-related test that vented significant quantities of radioactive gases from a fissure located in close proximity to ground zero. A crater formed shortly after detonation, which stemmed part of the flow from the fissure. The scope of this investigation includes surface and shallow subsurface (less than 15 feet below ground surface) soils. Radionuclides from the Baneberry test with the potential to impact groundwater are included within the Underground Test Area Subproject. Investigations and corrective actions associated with the Underground Test Area Subproject include the radiological inventory resulting from the Baneberry test.

Random coil chemical shift for intrinsically disordered proteins

DEFF Research Database (Denmark)

Kjærgaard, Magnus; Brander, Søren; Poulsen, Flemming Martin

2011-01-01

. Temperature has a non-negligible effect on the (13)C random coil chemical shifts, so temperature coefficients are reported for the random coil chemical shifts to allow extrapolation to other temperatures. The pH dependence of the histidine random coil chemical shifts is investigated in a titration series......, which allows the accurate random coil chemical shifts to be obtained at any pH. By correcting the random coil chemical shifts for the effects of temperature and pH, systematic biases of the secondary chemical shifts are minimized, which will improve the reliability of detection of transient secondary...

Novel, cyclic heat dissipation method for the correction of natural temperature gradients in sap flow measurements. Part 1. Theory and application.

Science.gov (United States)

Lubczynski, Maciek W; Chavarro-Rincon, Diana; Roy, Jean

2012-07-01

Natural temperature gradient (NTG) can be a significant problem in thermal sap flow measurements, particularly in dry environments with sparse vegetation. To resolve this problem, we propose a novel correction method called cyclic heat dissipation (CHD) in its thermal dissipation probe (TDP) application. The CHD method is based on cyclic, switching ON/OFF power schema measurements and a three-exponential model, extrapolating measured signal to steady state thermal equilibrium. The extrapolated signal OFF represents NTG, whereas the extrapolated signal ON represents standard TDP signal, biased by NTG. Therefore, subtraction of the OFF signal from the ON signal allows defining the unbiased TDP signal, finally processed according to standard Granier calibration. The in vivo Kalahari measurements were carried out in three steps on four different tree species, first as NTG, then as standard TDP and finally in CHD mode, each step for ∼1-2 days. Afterwards, each tree was separated from its stem following modified Roberts' (1977) procedure, and CHD verification was applied. The typical NTG varying from ∼0.5 °C during night-time to -1 °C during day-time, after CHD correction, resulted in significant reduction of sap flux densities (J(p)) as compared with the standard TDP, particularly distinct for low J(p). The verification of the CHD method indicated ∼20% agreement with the reference method, largely dependent on the sapwood area estimate. The proposed CHD method offers the following advantages: (i) in contrast to any other NTG correction method, it removes NTG bias from the measured signal by using in situ, extrapolated to thermal equilibrium signal; (ii) it does not need any specific calibration making use of the standard Granier calibration; (iii) it provides a physical background to the proposed NTG correction; (iv) it allows for power savings; (v) it is not tied to TDP, and so can be adapted to other thermal methods. In its current state, the CHD data

Corrective Action Investigation Plan for Corrective Action Unit 139: Waste Disposal Sites, Nevada Test Site, Nevada, Rev. No.: 0

Energy Technology Data Exchange (ETDEWEB)

Grant Evenson

2006-04-01

Corrective Action Unit (CAU) 139 is located in Areas 3, 4, 6, and 9 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 139 is comprised of the seven corrective action sites (CASs) listed below: (1) 03-35-01, Burn Pit; (2) 04-08-02, Waste Disposal Site; (3) 04-99-01, Contaminated Surface Debris; (4) 06-19-02, Waste Disposal Site/Burn Pit; (5) 06-19-03, Waste Disposal Trenches; (6) 09-23-01, Area 9 Gravel Gertie; and (7) 09-34-01, Underground Detection Station. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives with the exception of CASs 09-23-01 and 09-34-01. Regarding these two CASs, CAS 09-23-01 is a gravel gertie where a zero-yield test was conducted with all contamination confined to below ground within the area of the structure, and CAS 09-34-01 is an underground detection station where no contaminants are present. Additional information will be obtained by conducting a corrective action investigation (CAI) before evaluating corrective action alternatives and selecting the appropriate corrective action for the other five CASs where information is insufficient. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on January 4, 2006, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture; and Bechtel Nevada. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 139.

The relativistic Scott correction for atoms and molecules

DEFF Research Database (Denmark)

Solovej, Jan Philip; Sørensen, Thomas Østergaard; Spitzer, Wolfgang L.

2010-01-01

We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here......, are of semiclassical nature. Our result on atoms and molecules is proved from a general semiclassical estimate for relativistic operators with potentials with Coulomb-like singularities. This semiclassical estimate is obtained using the coherent state calculus introduced in [36]. The paper contains a unified treatment...

The Nature of the Interactions in Triethanolammonium-Based Ionic Liquids. A Quantum Chemical Study.

Science.gov (United States)

Fedorova, Irina V; Safonova, Lyubov P

2018-05-10

Structural features and interionic interactions play a crucial role in determining the overall stability of ionic liquids and their physicochemical properties. Therefore, we performed high-level quantum-chemical study of different cation-anion pairs representing the building units of protic ionic liquids based on triethanolammonium cation and anions of sulfuric, nitric, phosphoric, and phosphorus acids to provide essential insight into these phenomena at the molecular level. It was shown that every structure is stabilized through multiple H bonds between the protons in the N-H and O-H groups of the cation and different oxygen atoms of the anion acid. Using atoms in molecules topological parameters and natural bond orbital analysis, we determined the nature and strength of these interactions. Our calculations suggest that the N-H group of the cation has more proton donor-like character than the O-H group that makes the N-H···O hydrogen bonds stronger. A close relation between the binding energies of these ion pairs and experimental melting points was established: the smaller the absolute value of the binding energy between ions, the lower is the melting point.

Quantitative chemical exchange saturation transfer (qCEST) MRI--RF spillover effect-corrected omega plot for simultaneous determination of labile proton fraction ratio and exchange rate.

Science.gov (United States)

Sun, Phillip Zhe; Wang, Yu; Dai, ZhuoZhi; Xiao, Gang; Wu, Renhua

2014-01-01

Chemical exchange saturation transfer (CEST) MRI is sensitive to dilute proteins and peptides as well as microenvironmental properties. However, the complexity of the CEST MRI effect, which varies with the labile proton content, exchange rate and experimental conditions, underscores the need for developing quantitative CEST (qCEST) analysis. Towards this goal, it has been shown that omega plot is capable of quantifying paramagnetic CEST MRI. However, the use of the omega plot is somewhat limited for diamagnetic CEST (DIACEST) MRI because it is more susceptible to direct radio frequency (RF) saturation (spillover) owing to the relatively small chemical shift. Recently, it has been found that, for dilute DIACEST agents that undergo slow to intermediate chemical exchange, the spillover effect varies little with the labile proton ratio and exchange rate. Therefore, we postulated that the omega plot analysis can be improved if RF spillover effect could be estimated and taken into account. Specifically, simulation showed that both labile proton ratio and exchange rate derived using the spillover effect-corrected omega plot were in good agreement with simulated values. In addition, the modified omega plot was confirmed experimentally, and we showed that the derived labile proton ratio increased linearly with creatine concentration (p plot for quantitative analysis of DIACEST MRI. Copyright © 2014 John Wiley & Sons, Ltd.

Corrective measures evaluation report for technical area-v groundwater.

Energy Technology Data Exchange (ETDEWEB)

Witt, Johnathan L (North Wind, Inc., Idaho Falls, ID); Orr, Brennon R. (North Wind, Inc., Idaho Falls, ID); Dettmers, Dana L. (North Wind, Inc., Idaho Falls, ID); Hall, Kevin A. (North Wind, Inc., Idaho Falls, ID); Howard, Hope (North Wind, Inc., Idaho Falls, ID)

2005-07-01

This Corrective Measures Evaluation Report was prepared as directed by the Compliance Order on Consent issued by the New Mexico Environment Department to document the process of selecting the preferred remedial alternative for contaminated groundwater at Technical Area V. Supporting information includes background information about the site conditions and potential receptors and an overview of work performed during the Corrective Measures Evaluation. Evaluation of remedial alternatives included identification and description of four remedial alternatives, an overview of the evaluation criteria and approach, qualitative and quantitative evaluation of remedial alternatives, and selection of the preferred remedial alternative. As a result of the Corrective Measures Evaluation, it was determined that monitored natural attenuation of all contaminants of concern (trichloroethene, tetrachloroethene, and nitrate) was the preferred remedial alternative for implementation as the corrective measure to remediate contaminated groundwater at Technical Area V of Sandia National Laboratories/New Mexico. Finally, design criteria to meet cleanup goals and objectives and the corrective measures implementation schedule for the preferred remedial alternative are presented.

Corrective Action Decision Document/Closure Report for Corrective Action Unit 190: Contaminated Waste Sites, Nevada Test Site, Nevada, Revision 0

International Nuclear Information System (INIS)

Alfred Wickline

2008-01-01

This Corrective Action Decision Document/Closure Report has been prepared for Corrective Action Unit (CAU) 190, Contaminated Waste Sites, Nevada Test Site, Nevada, in accordance with the Federal Facility Agreement and Consent Order that was agreed to by the State of Nevada; U.S. Department of Energy, Environmental Management; U.S. Department of Defense; and DOE, Legacy Management (1996, as amended January 2007). Corrective Action Unit 190 is comprised of the following four corrective action sites (CASs): (1) 11-02-01, Underground Centrifuge; (2) 11-02-02, Drain Lines and Outfall; (3) 11-59-01, Tweezer Facility Septic System; (4) 14-23-01, LTU-6 Test Area The purpose of this Corrective Action Decision Document/Closure Report is to provide justification and documentation supporting the recommendation for closure of CAU 190 with no further corrective action. To achieve this, corrective action investigation (CAI) activities were performed from March 21 through June 26, 2007. All CAI activities were conducted as set forth in the Corrective Action Investigation Plan for Corrective Action Unit 190: Contaminated Waste Sites, Nevada Test Site, Nevada (NNSA/NSO, 2006). The purpose of the CAI was to fulfill the following data needs as defined during the data quality objective process: (1) Determine whether contaminants of concern (COCs) are present. (2) If COCs are present, determine their nature and extent. (3) Provide sufficient information and data to complete appropriate corrective actions. The CAU 190 dataset from the investigation results was evaluated based on the data quality indicator parameters. This evaluation demonstrated the quality and acceptability of the dataset for use in fulfilling the data quality objective data needs

Ecology and Ethics: Some Relationships for Nature Conservation

Science.gov (United States)

Abedi-Sarvestani, Ahmad; Shahvali, Mansoor

These days, the reality of environmental crises creates grave doubts about the future of the natural environment. Many believe that if present human behavior toward the natural environment continues, there will be no hope for a sustainable life. Therefore, it is vital that human behavior toward nature be modified and corrected. Although, ethic is traditionally concerned about relations between individuals, but it is getting more attention for modifying human behavior in order to correct human-nature interaction and establish a well-intentioned one. In this respect, we need science of ecology and ethics together. Ecology helps us to understand natural ecosystems and respective regulations and laws, whereas ethics teach us how to define right and wrong behaviors toward the natural environment. This research discusses some possible relationships that might exist between ecology and ethics toward nature conservation.

Effect of incorporation of natural chemicals in water ice-glazing on freshness and shelf-life of Pacific saury (Cololabis saira) during -18 °C frozen storage.

Science.gov (United States)

Luo, Haibo; Wang, Weihua; Chen, Wei; Tang, Haiqing; Jiang, Li; Yu, Zhifang

2017-12-14

Microbial spoilage and lipid oxidation are two major factors causing freshness deterioration of Pacific saury (Cololabis saira) during frozen storage. To provide a remedy, the effects of several natural chemicals incorporated alone or in combination in traditional water ice-glazing on the freshness and shelf-life of Pacific saury during frozen storage at -18 °C were investigated. Pacific sauries were subjected to individual quick freezing followed immediately by dipping into cold tap water (control) or solutions containing nisin, chitosan, phytic acid (single-factor experiment) or their combinations ((L 9 (3 4 ) orthogonal experiment) for 10 s at 1 °C and then packaged in polypropylene bags before frozen storage at -18 °C. The storage duration tested was up to 12 months. All ice-glazing treatments with individual chemicals could significantly (P shelf-life of Pacific saury could be extended up to 12 months at -18 °C. The study indicated that the combination treatment with natural chemicals could be commercially utilized to maintain the freshness and prolong the shelf-life of Pacific saury. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

Liquid Membranes as a Tool for Chemical Speciation of Metals in Natural Waters: Organic and Inorganic Complexes of Nickel

Directory of Open Access Journals (Sweden)

Cristina Vergel

2018-04-01

Full Text Available The different species of nickel present in natural waters exhibit different transport behaviour through bulk liquid membranes (BLMs. This fact has been used to design and optimise a separation/pre-concentration system applicable to separate labile and non-labile nickel fractions. A hydrazone derivative—1,2-cyclohexanedione bis-benzoyl-hydrazone (1,2-CHBBH dissolved in toluene/dimethyl formamide (2% DMF—was used as a chemical carrier of nickel species, from an aqueous source solution (sample to a receiving acidic solution. Both chemical and hydrodynamic conditions controlling the transport system were studied and optimised. Under optimum conditions, variations in the transport of nickel ions as a function of organic (humic acids and inorganic (chloride ions ligands were studied. Relationships between the permeability coefficient (P or recovery efficiency (%R and the concentrations of ligands and nickel species were analysed using Winhumic V software. A negative correlation between P and the concentration of organic nickel complexes was found, suggesting that only labile nickel species are transported through the liquid membrane, with non-labile complexes remaining in the water sample; allowing for their separation and subsequent quantification in natural waters.

Liquid Membranes as a Tool for Chemical Speciation of Metals in Natural Waters: Organic and Inorganic Complexes of Nickel.

Science.gov (United States)

Vergel, Cristina; Mendiguchía, Carolina; Moreno, Carlos

2018-04-15

The different species of nickel present in natural waters exhibit different transport behaviour through bulk liquid membranes (BLMs). This fact has been used to design and optimise a separation/pre-concentration system applicable to separate labile and non-labile nickel fractions. A hydrazone derivative-1,2-cyclohexanedione bis-benzoyl-hydrazone (1,2-CHBBH) dissolved in toluene/dimethyl formamide (2% DMF)-was used as a chemical carrier of nickel species, from an aqueous source solution (sample) to a receiving acidic solution. Both chemical and hydrodynamic conditions controlling the transport system were studied and optimised. Under optimum conditions, variations in the transport of nickel ions as a function of organic (humic acids) and inorganic (chloride ions) ligands were studied. Relationships between the permeability coefficient ( P ) or recovery efficiency (%R) and the concentrations of ligands and nickel species were analysed using Winhumic V software. A negative correlation between P and the concentration of organic nickel complexes was found, suggesting that only labile nickel species are transported through the liquid membrane, with non-labile complexes remaining in the water sample; allowing for their separation and subsequent quantification in natural waters.

Corrective Action Decision Document/Closure Report for Corrective Action Unit 137: Waste Disposal Sites, Nevada Test Site, Nevada (Revision 0) with ROTC 1 and 2

Energy Technology Data Exchange (ETDEWEB)

Krauss, Mark J

2007-03-01

The purpose of this Corrective Action Decision Document/Closure Report is to provide justification and documentation supporting the recommendation for closure of CAU 137 with no further corrective action. To achieve this, corrective action investigation (CAI) activities were performed from February 28 through August 17, 2006, as set forth in the Corrective Action Investigation Plan for Corrective Action Unit 137: Waste Disposal Sites. The purpose of the CAI was to fulfill the following data needs as defined during the data quality objective process: • Determine whether contaminants of concern (COCs) are present. • If COCs are present, determine their nature and extent. • Provide sufficient information and data to complete appropriate corrective actions. ROTC-1: Downgrade FFACO UR at CAU 137, CAS 07-23-02, Radioactive Waste Disposal Site to an Administrative UR. ROTC-2: Downgrade FFACO UR at CAU 137, CAS 01-08-01, Waste Disposal Site to an Administrative UR.

Heisenberg coupling constant predicted for molecular magnets with pairwise spin-contamination correction

Energy Technology Data Exchange (ETDEWEB)

Masunov, Artëm E., E-mail: amasunov@ucf.edu [NanoScience Technology Center, Department of Chemistry, and Department of Physics, University of Central Florida, Orlando, FL 32826 (United States); Photochemistry Center RAS, ul. Novatorov 7a, Moscow 119421 (Russian Federation); Gangopadhyay, Shruba [Department of Physics, University of California, Davis, CA 95616 (United States); IBM Almaden Research Center, 650 Harry Road, San Jose, CA 95120 (United States)

2015-12-15

New method to eliminate the spin-contamination in broken symmetry density functional theory (BS DFT) calculations is introduced. Unlike conventional spin-purification correction, this method is based on canonical Natural Orbitals (NO) for each high/low spin coupled electron pair. We derive an expression to extract the energy of the pure singlet state given in terms of energy of BS DFT solution, the occupation number of the bonding NO, and the energy of the higher spin state built on these bonding and antibonding NOs (not self-consistent Kohn–Sham orbitals of the high spin state). Compared to the other spin-contamination correction schemes, spin-correction is applied to each correlated electron pair individually. We investigate two binuclear Mn(IV) molecular magnets using this pairwise correction. While one of the molecules is described by magnetic orbitals strongly localized on the metal centers, and spin gap is accurately predicted by Noodleman and Yamaguchi schemes, for the other one the gap is predicted poorly by these schemes due to strong delocalization of the magnetic orbitals onto the ligands. We show our new correction to yield more accurate results in both cases. - Highlights: • Magnetic orbitails obtained for high and low spin states are not related. • Spin-purification correction becomes inaccurate for delocalized magnetic orbitals. • We use the natural orbitals of the broken symmetry state to build high spin state. • This new correction is made separately for each electron pair. • Our spin-purification correction is more accurate for delocalised magnetic orbitals.

GUP parameter from quantum corrections to the Newtonian potential

Energy Technology Data Exchange (ETDEWEB)

Scardigli, Fabio, E-mail: fabio@phys.ntu.edu.tw [Dipartimento di Matematica, Politecnico di Milano, Piazza L. da Vinci 32, 20133 Milano (Italy); Department of Applied Mathematics, University of Waterloo, Ontario N2L 3G1 (Canada); Yukawa Institute for Theoretical Physics, Kyoto University, Kyoto 606-8502 (Japan); Lambiase, Gaetano, E-mail: lambiase@sa.infn.it [Dipartimento di Fisica “E.R. Caianiello”, Universita' di Salerno, I-84084 Fisciano (Italy); INFN – Gruppo Collegato di Salerno (Italy); Vagenas, Elias C., E-mail: elias.vagenas@ku.edu.kw [Theoretical Physics Group, Department of Physics, Kuwait University, P.O. Box 5969, Safat 13060 (Kuwait)

2017-04-10

We propose a technique to compute the deformation parameter of the generalized uncertainty principle by using the leading quantum corrections to the Newtonian potential. We just assume General Relativity as theory of Gravitation, and the thermal nature of the GUP corrections to the Hawking spectrum. With these minimal assumptions our calculation gives, to first order, a specific numerical result. The physical meaning of this value is discussed, and compared with the previously obtained bounds on the generalized uncertainty principle deformation parameter.

Physical and chemical characteristics of Vietnamese natural corals used as substitutes for bone grafts

International Nuclear Information System (INIS)

Tran Cong Toai; To Phuong Vu; Tran Bac Hai; Doan Binh

1999-01-01

Coral has been used as substitutes for bone grafts in France and the United State of American. In Vietnam, research on coral has been done at the Biomaterial Research Laboratory, The University Training Centre since 1994. Among the studies are the determination of physical and chemical characteristics of natural coral blocks obtained by the scientists of the NhaTrang Maritime Institute. We found that it was quite necessary to establish a standard formula for processing coral as biomaterial graft. The selected coral was cut into blocks approximately 1x1x1 cm or 1x1x2 cm and cleaned. We measured the density, porous rate, water loading speed (at room temperature and at boiled temperature with low pressure, mechanical strength and content of soluble protein, chitosan in coral rods. (1140 samples of three types of corals). The density of Porites australiensis was heavier than that of Porites lutea. But, Porites lutea has more porous rate than Porites australiensis. This experiment has also showed that mechanical strength of Porites australiensis was harder than that of Porites lutea. To measure the water loading speed, the coral rods were treated at boiled temperature with low pressure versus at room temperature. We found that the water loading speed of Porites australiensis at boiled temperature was faster than that at room temperature. Porites lutea and Montastrea annuligera showed as the same result. The efficiency of water loading rate is quite low approximately 116 - 121 % for 45 minutes at room temperature versus 135 - 155 % for only I 0 minutes at boiled temperature with low pressure. We measured the content of soluble protein by both Lowry and Biuret methods, the content of soluble protein after washing with 0.9% sodium chloride, 1210 degree C, 60 minutes is very low (below limit of tests). The content of chitosan from dried coral rods treated with HCI 36 - 38 % and NAOH 0.01N is about 0.1 - 0.6 %. Our study determined some physical and chemical characteristics

Angstrom analysis with dynamic in-situ aberration corrected electron microscopy

International Nuclear Information System (INIS)

Gai, P L; Boyes, E D

2010-01-01

Following the pioneering development of atomic resolution in-situ environmental TEM (ETEM) for direct probing of gas-solid reactions, recent developments are presented of dynamic real time in-situ studies at the Angstrom level in an aberration corrected electron microscope. The in-situ data from Pt-Pd nanoparticles on carbon with the corresponding FFT/optical diffractogram (OD) illustrate an achieved resolution of 0 C and higher, in a double aberration corrected JEOL 2200 FS TEM/STEM employing a wider gap objective pole piece and gas tolerant TMP column pumping system. Direct observations of dynamic biofuel catalysts under controlled calcinations conditions and quantified with catalytic reactivity and physico-chemical studies show the benefits in-situ aberration correction in unveiling the evolution of surface active sites necessary for the development efficient heterogeneous catalysts. The new results open up opportunities for dynamic studies of materials in an aberration corrected environment and direct future development activities.

Corrective Action Investigation Plan for Corrective Action Unit 568: Area 3 Plutonium Dispersion Sites Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Matthews, Patrick

2014-01-01

CAU 568 is a grouping of sites where there has been a suspected release of contamination associated with nuclear testing. This document describes the planned investigation of CAU 568, which comprises the following corrective action sites (CASs): • 03-23-17, S-3I Contamination Area • 03-23-19, T-3U Contamination Area • 03-23-20, Otero Contamination Area • 03-23-22, Platypus Contamination Area • 03-23-23, San Juan Contamination Area • 03-23-26, Shrew/Wolverine Contamination Area These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the investigation report.

Two dimensional spatial distortion correction algorithm for scintillation GAMMA cameras

International Nuclear Information System (INIS)

Chaney, R.; Gray, E.; Jih, F.; King, S.E.; Lim, C.B.

1985-01-01

Spatial distortion in an Anger gamma camera originates fundamentally from the discrete nature of scintillation light sampling with an array of PMT's. Historically digital distortion correction started with the method based on the distortion measurement by using 1-D slit pattern and the subsequent on-line bi-linear approximation with 64 x 64 look-up tables for X and Y. However, the X, Y distortions are inherently two-dimensional in nature, and thus the validity of this 1-D calibration method becomes questionable with the increasing distortion amplitude in association with the effort to get better spatial and energy resolutions. The authors have developed a new accurate 2-D correction algorithm. This method involves the steps of; data collection from 2-D orthogonal hole pattern, 2-D distortion vector measurement, 2-D Lagrangian polynomial interpolation, and transformation to X, Y ADC frame. The impact of numerical precision used in correction and the accuracy of bilinear approximation with varying look-up table size have been carefully examined through computer simulation by using measured single PMT light response function together with Anger positioning logic. Also the accuracy level of different order Lagrangian polynomial interpolations for correction table expansion from hole centroids were investigated. Detailed algorithm and computer simulation are presented along with camera test results

Corrective Action Investigation Plan for Corrective Action Unit 536: Area 3 Release Site, Nevada Test Site, Nevada (Rev. 0 / June 2003), Including Record of Technical Change No. 1

Energy Technology Data Exchange (ETDEWEB)

None

2003-06-27

This Corrective Action Investigation Plan contains the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office's approach to collect the data necessary to evaluate corrective action alternatives (CAAs) appropriate for the closure of Corrective Action Unit (CAU) 536: Area 3 Release Site, Nevada Test Site, Nevada, under the Federal Facility Agreement and Consent Order. Corrective Action Unit 536 consists of a single Corrective Action Site (CAS): 03-44-02, Steam Jenny Discharge. The CAU 536 site is being investigated because existing information on the nature and extent of possible contamination is insufficient to evaluate and recommend corrective action alternatives for CAS 03-44-02. The additional information will be obtained by conducting a corrective action investigation (CAI) prior to evaluating CAAs and selecting the appropriate corrective action for this CAS. The results of this field investigation are to be used to support a defensible evaluation of corrective action alternatives in the corrective action decision document. Record of Technical Change No. 1 is dated 3-2004.

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

Science.gov (United States)

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

2016-12-01

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

Chemical nature of implant-derived titanium(IV) ions in synovial fluid

International Nuclear Information System (INIS)

Silwood, Christopher J.L.; Grootveld, Martin

2005-01-01

Previous investigations have indicated a deleterious leakage of Ti(III) and/or Ti(IV) species from Ti-Al-V alloy joint prostheses into adjacent tissue, synovium or synovial fluid (SF) in vivo. In view of the importance of the particular chemical nature of such complexes in determining their biological activity, we have employed high field proton ( 1 H) NMR spectroscopy to 'speciate' Ti(IV) in inflammatory SF. Treatment of osteoarthritic SF samples with increasing concentrations of Ti(IV) (0.10-1.03 mM [TiO(C 2 O 4 ) 2 ] 2- ) gave rise to a specific broadening of the citrate proton resonances, indicating that this bioavailable oxygen-donor ligand plays an important role in complexing implant-derived Ti(IV). 1 H NMR analysis of Ti(IV)-loaded SF samples subsequently treated with a large excess of ascorbate (0.05 M) showed that this added Ti(IV) chelator was only poorly effective in removing this metal ion from Ti(IV)-citrate/Ti(IV)-oxycitrate complexes. The results obtained here provide evidence for complexation of the low-molecular-mass (non-protein-bound) fraction of implant-derived Ti(IV) by citrate in vivo

Geochemical properties and nuclear chemical characteristics of Oklo natural fission reactors

Energy Technology Data Exchange (ETDEWEB)

Hidaka, Hiroshi [Hiroshima Univ., Higashi-Hiroshima (Japan). Faculty of Science

1997-07-01

There are six uranium deposits in the Gabonese Republic in the cnetral Africa. `Fission reactor zone`, the fission chain reactions generated about 200 billion years ago, was existed in a part of them. CEA begun geochemical researches of Oklo deposits etc. in 1991. The geochemical and nuclear chemical properties of Oklo were reviewed from the results of researches. Oklo deposits is consisted of main five sedimentary faces such as sandstone (FA), Black Shale formation (FB), mudstone (FC), tuff (FD) and volcaniclastic sandstone (FE) from the bottom on the base rock of granite in the Precambrian era. Uranium is enriched in the upper part of FA layer and the under part of FB layer. {sup 235}U/{sup 238}U, U content, fission proportion, duration time, neutron fluence, temperature, restitution factor of {sup 235}U and epithermal index ({gamma}) were investigated and compared. The geochemical properties of Oklo are as followed: large enrich of uranium, the abundance ratio of {sup 235}U as same as that of enriched uranium, interaction of natural water and small rear earth elements. These factors made casually Oklo fission reactor. (S.Y.)

Practical use of chemical shift databases for protein solid-state NMR: 2D chemical shift maps and amino-acid assignment with secondary-structure information

Energy Technology Data Exchange (ETDEWEB)

Fritzsching, K. J.; Yang, Y.; Schmidt-Rohr, K.; Hong Mei, E-mail: mhong@iastate.edu [Iowa State University, Department of Chemistry (United States)

2013-06-15

We introduce a Python-based program that utilizes the large database of {sup 13}C and {sup 15}N chemical shifts in the Biological Magnetic Resonance Bank to rapidly predict the amino acid type and secondary structure from correlated chemical shifts. The program, called PACSYlite Unified Query (PLUQ), is designed to help assign peaks obtained from 2D {sup 13}C-{sup 13}C, {sup 15}N-{sup 13}C, or 3D {sup 15}N-{sup 13}C-{sup 13}C magic-angle-spinning correlation spectra. We show secondary-structure specific 2D {sup 13}C-{sup 13}C correlation maps of all twenty amino acids, constructed from a chemical shift database of 262,209 residues. The maps reveal interesting conformation-dependent chemical shift distributions and facilitate searching of correlation peaks during amino-acid type assignment. Based on these correlations, PLUQ outputs the most likely amino acid types and the associated secondary structures from inputs of experimental chemical shifts. We test the assignment accuracy using four high-quality protein structures. Based on only the C{alpha} and C{beta} chemical shifts, the highest-ranked PLUQ assignments were 40-60 % correct in both the amino-acid type and the secondary structure. For three input chemical shifts (CO-C{alpha}-C{beta} or N-C{alpha}-C{beta}), the first-ranked assignments were correct for 60 % of the residues, while within the top three predictions, the correct assignments were found for 80 % of the residues. PLUQ and the chemical shift maps are expected to be useful at the first stage of sequential assignment, for combination with automated sequential assignment programs, and for highly disordered proteins for which secondary structure analysis is the main goal of structure determination.

Empirical correlation between protein backbone {sup 15}N and {sup 13}C secondary chemical shifts and its application to nitrogen chemical shift re-referencing

Energy Technology Data Exchange (ETDEWEB)

Wang Liya [Cold Spring Harbor Laboratory (United States); Markley, John L. [University of Wisconsin, Biochemistry Department (United States)], E-mail: markley@nmrfam.wisc.edu

2009-06-15

The linear analysis of chemical shifts (LACS) has provided a robust method for identifying and correcting {sup 13}C chemical shift referencing problems in data from protein NMR spectroscopy. Unlike other approaches, LACS does not require prior knowledge of the three-dimensional structure or inference of the secondary structure of the protein. It also does not require extensive assignment of the NMR data. We report here a way of extending the LACS approach to {sup 15}N NMR data from proteins, so as to enable the detection and correction of inconsistencies in chemical shift referencing for this nucleus. The approach is based on our finding that the secondary {sup 15}N chemical shift of the backbone nitrogen atom of residue i is strongly correlated with the secondary chemical shift difference (experimental minus random coil) between the alpha and beta carbons of residue i - 1. Thus once alpha and beta {sup 13}C chemical shifts are available (their difference is referencing error-free), the {sup 15}N referencing can be validated, and an appropriate offset correction can be derived. This approach can be implemented prior to a structure determination and can be used to analyze potential referencing problems in database data not associated with three-dimensional structure. Application of the LACS algorithm to the current BMRB protein chemical shift database, revealed that nearly 35% of the BMRB entries have {delta}{sup 15}N values mis-referenced by over 0.7 ppm and over 25% of them have {delta}{sup 1}H{sup N} values mis-referenced by over 0.12 ppm. One implication of the findings reported here is that a backbone {sup 15}N chemical shift provides a better indicator of the conformation of the preceding residue than of the residue itself.

Entropy correction of BTZ black holes in a tunneling framework

Institute of Scientific and Technical Information of China (English)

无

2010-01-01

In this paper, using the Parikh-Wilczek tunneling framework, we first calculate the emission rates of non-rotating BTZ black holes and rotating BTZ black holes to second order accuracy. Then, by assuming that the emission process satisfies an underlying unitary theory, we obtain the corrected entropy of the BTZ black holes. A log term emerges naturally in the expression of the corrected entropy. A discussion about the inverse area term is also presented.

Demand for natural gas from industries in Brazil: an estimate of the price elasticity, income elasticity and forecast for 2008-2012 using VEC (Vector Error Correction) Model; Demanda por gas natural no Brasil: um estudo sobre as elasticidades preco e renda de longo prazo do segmento industrial e estimativa para o periodo de 2008-2012 usando modelo VEC (Vector Error Correction)

Energy Technology Data Exchange (ETDEWEB)

Cabral, Renata [Universidade de Sao Paulo (USP), SP (Brazil). Faculdade de Economia e Administracao; Parente, Virginia [Universidade de Sao Paulo (USP), SP (Brazil). Inst. de Eletrotecnica e Energia

2008-07-01

The purpose of the present study is to estimate the long-run elasticities - manly price and income - of the demand for gas natural in the industrial category. After determining that the series under study were non-stationary, we chose to use the cointegration approach, estimating a Vector Error Correction Model (VEC Model). The obtained results show that the price elasticity for industrial sector in Brazil is higher than income elasticity. Although both of then is near to one, the price elasticity is higher that one unit while income elasticity is slightly lower. Predictions for the gas natural consumption in Brazil for industrials for 2008-2012 period are also made. (author)

Phytoplankton blooms: an overlooked marine source of natural endocrine disrupting chemicals.

Science.gov (United States)

Gong, Yinhan; Wang, Xiaochong; Indran, Inthrani Raja; Zhang, Shi-Jun; Lv, Zhengbing; Li, Jun; Holmes, Michael; Tang, Ying Zhong; Yong, E L

2014-09-01

We had previously reported high androgenic and estrogenic activities in seawaters in confined clusters close to Singapore. Further investigations revealed a hitherto unsuspected link between estrogenic/androgenic activity and net phytoplankton count. The primary objective of this study was to investigate the cause of a correlation between net phytoplankton and endocrine activity, and corroborate this observation, and rule out other possible confounding factors. Our secondary objective was to study if these estrogenic secretions can impact human health. Five species of phytoplankton, Gymnodinium catenatum, Prorocentrum minimum, Alexandrium leei, Chattonella marina, and Fibrocapsa japonica, were isolated from Singapore waters and mass cultured and the cells and culture media screened for estrogenic and androgenic activity using human cell-based bioassays. The raphidophytes C. marina and F. japonica displayed significant estrogenic activity whilst the dinoflagellates G. catenatum and P. minimum displayed significant androgenic activity in both the cell extracts and the cell culture media extract. Our data shows that selected phytoplankton isolates are potent secretors of estrogenic and androgenic substances, which are potential endocrine disrupting chemicals (EDCs). As the harmful nature of EDCs is largely due to their bioaccumulation in the aquatic food chain our findings imply that the impact of these phytoplankton secretions needs to be investigated especially for seafoods, which are only a single trophic level away from phytoplankton. Alternatively, should these phytoplankton-origin EDCs not accumulate through marine food chains to significantly impact humans or marine mammals, our results indicate that functional assays could greatly over-estimate the risk from naturally occurring EDCs produced by marine phytoplankton. It remains to be determined if these EDCs affect zooplankton and other organisms that directly feed on marine phytoplankton, or if the secreted

Higher order QCD corrections in small x physics

International Nuclear Information System (INIS)

Chachamis, G.

2006-11-01

We study higher order QCD corrections in small x Physics. The numerical implementation of the full NLO photon impact factor is the remaining necessary piece for the testing of the NLO BFKL resummation against data from physical processes, such as γ * γ * collisions. We perform the numerical integration over phase space for the virtual corrections to the NLO photon impact factor. This, along with the previously calculated real corrections, makes feasible in the near future first estimates for the γ*γ* total cross section, since the convolution of the full impact factor with the NLO BFKL gluon Green's function is now straightforward. The NLO corrections for the photon impact factor are sizeable and negative. In the second part of this thesis, we estimate higher order correction to the BK equation. We are mainly interested in whether partonic saturation delays or not in rapidity when going beyond the leading order. In our investigation, we use the so called 'rapidity veto' which forbid two emissions to be very close in rapidity, to 'switch on' higher order corrections to the BK equation. From analytic and numerical analysis, we conclude that indeed saturation does delay in rapidity when higher order corrections are taken into account. In the last part, we investigate higher order QCD corrections as additional corrections to the Electroweak (EW) sector. The question of whether BFKL corrections are of any importance in the Regge limit for the EW sector seems natural; although they arise in higher loop level, the accumulation of logarithms in energy s at high energies, cannot be dismissed without an investigation. We focus on the process γγ→ZZ. We calculate the pQCD corrections in the forward region at leading logarithmic (LL) BFKL accuracy, which are of the order of few percent at the TeV energy scale. (orig.)

Higher order QCD corrections in small x physics

Energy Technology Data Exchange (ETDEWEB)

Chachamis, G.

2006-11-15

We study higher order QCD corrections in small x Physics. The numerical implementation of the full NLO photon impact factor is the remaining necessary piece for the testing of the NLO BFKL resummation against data from physical processes, such as {gamma}{sup *}{gamma}{sup *} collisions. We perform the numerical integration over phase space for the virtual corrections to the NLO photon impact factor. This, along with the previously calculated real corrections, makes feasible in the near future first estimates for the {gamma}*{gamma}* total cross section, since the convolution of the full impact factor with the NLO BFKL gluon Green's function is now straightforward. The NLO corrections for the photon impact factor are sizeable and negative. In the second part of this thesis, we estimate higher order correction to the BK equation. We are mainly interested in whether partonic saturation delays or not in rapidity when going beyond the leading order. In our investigation, we use the so called 'rapidity veto' which forbid two emissions to be very close in rapidity, to 'switch on' higher order corrections to the BK equation. From analytic and numerical analysis, we conclude that indeed saturation does delay in rapidity when higher order corrections are taken into account. In the last part, we investigate higher order QCD corrections as additional corrections to the Electroweak (EW) sector. The question of whether BFKL corrections are of any importance in the Regge limit for the EW sector seems natural; although they arise in higher loop level, the accumulation of logarithms in energy s at high energies, cannot be dismissed without an investigation. We focus on the process {gamma}{gamma}{yields}ZZ. We calculate the pQCD corrections in the forward region at leading logarithmic (LL) BFKL accuracy, which are of the order of few percent at the TeV energy scale. (orig.)

Corrective Action Investigation Plan for Corrective Action Unit 576: Miscellaneous Radiological Sites and Debris Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Matthews, Patrick [Navarro, Las Vegas, NV (United States)

2016-12-01

Corrective Action Unit (CAU) 576 is located in Areas 2, 3, 5, 8, and 9 of the Nevada National Security Site, which is approximately 65 miles northwest of Las Vegas, Nevada. CAU 576 is a grouping of sites where there has been a suspected release of contamination associated with nuclear testing. This document describes the planned investigation of CAU 576, which comprises the following corrective action sites (CASs): 00-99-01, Potential Source Material; 02-99-12, U-2af (Kennebec) Surface Rad-Chem Piping; 03-99-20, Area 3 Subsurface Rad-Chem Piping; 05-19-04, Frenchman Flat Rad Waste Dump ; 09-99-08, U-9x (Allegheny) Subsurface Rad-Chem Piping; 09-99-09, U-9its u24 (Avens-Alkermes) Surface Contaminated Flex Line These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the Corrective Action Decision Document (CADD).

Ecologically sustainable chemical recommendations for agricultural pest control?

Science.gov (United States)

Thomson, Linda J; Hoffmann, Ary A

2007-12-01

Effective pest control remains an essential part of food production, and it is provided both by chemicals and by natural enemies within agricultural ecosystems. These methods of control are often in conflict because of the negative impact of chemicals on natural enemies. There are already well-established approaches such as those provided by the International Organization for Biological and Integrated Control-Pesticides and Beneficial Organisms for testing, collecting, and publishing information on responses of natural enemies to chemicals based on laboratory responses of specific organisms; however, these tests do not assess the cumulative impact of chemical inputs across an entire season or consider impacts on the complex communities of natural enemies that can provide effective pest control on a farm. Here, we explore the potential of different approaches for assessing the impact of chemicals on agricultural ecosystems and we propose a simple metric for sustainable chemical use on farms that minimizes overall impact on beneficial groups. We suggest ways in which the effectiveness of metrics can be extended to include persistence and habitat features. Such metrics can assist farmers in developing targets for sustainable chemical use as demonstrated in the viticultural industry.

Study contribution to the new international philosophy of the radiological safety system on chemical processing of the natural uranium

International Nuclear Information System (INIS)

Silva, T.M. da.

1988-01-01

The objective of the work is to adapt the radiological Safety System in the facilities concerned to the chemical treatment of the uranium concentrated (yellow-cake) until conversion in uranium hexafluoride in the pilot plant of IPEN-CNEN/SP, to the new international philosophy adopted by the International Commission Radiological on Protection ICPR publication 22(1973), 26(1977), 30(1978) and the International Atomic Energy Agency IAEA publication 9(1982). The new philosophy changes fully the Radiological Protection concepts of preceding philosophy, changes, also, the concept of the work place and individual monitoring as well as the classification of the working areas. These new concepts are applied in each phase of the natural uranium treatment chemical process in conversion facility. (author)

Chemical thermodynamics of uranium

International Nuclear Information System (INIS)

Grenthe, I.; Fuger, J.; Lemire, R.J.; Muller, A.B.; Nguyen-Trung Cregu, C.; Wanner, H.

1992-01-01

A comprehensive overview on the chemical thermodynamics of those elements that are of particular importance in the safety assessment of radioactive waste disposal systems is provided. This is the first volume in a series of critical reviews to be published on this subject. The book provides an extensive compilation of chemical thermodynamic data for uranium. A description of procedures for activity corrections and uncertainty estimates is given. A critical discussion of data needed for nuclear waste management assessments, including areas where significant gaps of knowledge exist is presented. A detailed inventory of chemical thermodynamic data for inorganic compounds and complexes of uranium is listed. Data and their uncertainty limits are recommended for 74 aqueous complexes and 199 solid and 31 gaseous compounds containing uranium, and on 52 aqueous and 17 solid auxiliary species containing no uranium. The data are internally consistent and compatible with the CODATA Key Values. The book contains a detailed discussion of procedures used for activity factor corrections in aqueous solution, as well as including methods for making uncertainty estimates. The recommended data have been prepared for use in environmental geochemistry. Containing contributions written by experts the chapters cover various subject areas such a s: oxide and hydroxide compounds and complexes, the uranium nitrides, the solid uranium nitrates and the arsenic-containing uranium compounds, uranates, procedures for consistent estimation of entropies, gaseous and solid uranium halides, gaseous uranium oxides, solid phosphorous-containing uranium compounds, alkali metal uranates, uncertainties, standards and conventions, aqueous complexes, uranium minerals dealing with solubility products and ionic strength corrections. The book is intended for nuclear research establishments and consulting firms dealing with uranium mining and nuclear waste disposal, as well as academic and research institutes

Chemical Graph Transformation with Stereo-Information

DEFF Research Database (Denmark)

Andersen, Jakob Lykke; Flamm, Christoph; Merkle, Daniel

2017-01-01

Double Pushout graph transformation naturally facilitates the modelling of chemical reactions: labelled undirected graphs model molecules and direct derivations model chemical reactions. However, the most straightforward modelling approach ignores the relative placement of atoms and their neighbo......Double Pushout graph transformation naturally facilitates the modelling of chemical reactions: labelled undirected graphs model molecules and direct derivations model chemical reactions. However, the most straightforward modelling approach ignores the relative placement of atoms...... and their neighbours in space. Stereoisomers of chemical compounds thus cannot be distinguished, even though their chemical activity may differ substantially. In this contribution we propose an extended chemical graph transformation system with attributes that encode information about local geometry. The modelling...... of graph transformation, but we here propose a framework that also allows for partially specified stereoinformation. While there are several stereochemical configurations to be considered, we focus here on the tetrahedral molecular shape, and suggest general principles for how to treat all other chemically...

Splice-correcting oligonucleotides restore BTK function in X-linked agammaglobulinemia model

DEFF Research Database (Denmark)

Bestas, Burcu; Moreno, Pedro M D; Blomberg, K Emelie M

2014-01-01

, splice-correcting oligonucleotides (SCOs) targeting mutated BTK transcripts for treating XLA. Both the SCO structural design and chemical properties were optimized using 2'-O-methyl, locked nucleic acid, or phosphorodiamidate morpholino backbones. In order to have access to an animal model of XLA, we...

GUP parameter from quantum corrections to the Newtonian potential

Directory of Open Access Journals (Sweden)

Fabio Scardigli

2017-04-01

Full Text Available We propose a technique to compute the deformation parameter of the generalized uncertainty principle by using the leading quantum corrections to the Newtonian potential. We just assume General Relativity as theory of Gravitation, and the thermal nature of the GUP corrections to the Hawking spectrum. With these minimal assumptions our calculation gives, to first order, a specific numerical result. The physical meaning of this value is discussed, and compared with the previously obtained bounds on the generalized uncertainty principle deformation parameter.

Corrective Action Investigation Plan for Corrective Action Unit 151: Septic Systems and Discharge Area, Nevada Test Site, Nevada, Rev. No.: 0

Energy Technology Data Exchange (ETDEWEB)

David A. Strand

2004-06-01

This Corrective Action Investigation Plan (CAIP) contains project-specific information for conducting site investigation activities at Corrective Action Unit (CAU) 151: Septic Systems and Discharge Area, Nevada Test Site, Nevada. Information presented in this CAIP includes facility descriptions, environmental sample collection objectives, and criteria for the selection and evaluation of environmental corrective action alternatives. Corrective Action Unit 151 is located in Areas 2, 12, 18, and 20 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 151 is comprised of the nine Corrective Action Sites (CAS) listed below: (1) 02-05-01, UE-2ce Pond; (2) 12-03-01, Sewage Lagoons (6); (3) 12-04-01, Septic Tanks; (4) 12-04-02, Septic Tanks; (5) 12-04-03, Septic Tank; (6) 12-47-01, Wastewater Pond; (7) 18-03-01, Sewage Lagoon; (8) 18-99-09, Sewer Line (Exposed); and (9) 20-19-02, Photochemical Drain. The CASs within CAU 151 are discharge and collection systems. Corrective Action Site 02-05-01 is located in Area 2 and is a well-water collection pond used as a part of the Nash test. Corrective Action Sites 12-03-01, 12-04-01, 12-04-02, 12-04-03, and 12-47-01 are located in Area 12 and are comprised of sewage lagoons, septic tanks, associated piping, and two sumps. The features are a part of the Area 12 Camp housing and administrative septic systems. Corrective Action Sites 18-03-01 and 18-99-09 are located in the Area 17 Camp in Area 18. These sites are sewage lagoons and associated piping. The origin and terminus of CAS 18-99-09 are unknown; however, the type and configuration of the pipe indicates that it may be a part of the septic systems in Area 18. Corrective Action Site 20-19-02 is located in the Area 20 Camp. This site is comprised of a surface discharge of photoprocessing chemicals.

An Analysis of College Students' Attitudes towards Error Correction in EFL Context

Science.gov (United States)

Zhu, Honglin

2010-01-01

This article is based on a survey on the attitudes towards the error correction by their teachers in the process of teaching and learning and it is intended to improve the language teachers' understanding of the nature of error correction. Based on the analysis, the article expounds some principles and techniques that can be applied in the process…

Clean slate corrective action investigation plan

International Nuclear Information System (INIS)

1996-05-01

The Clean Slate sites discussed in this report are situated in the central portion of the Tonopah Test Range (TTR), north of the Nevada Test Site (NTS) on the northwest portion of the Nellis Air Force Range (NAFR) which is approximately 390 kilometers (km) (240 miles [mi]) northwest of Las Vegas, Nevada. These sites were the locations for three of the four Operation Roller Coaster experiments. These experiments evaluated the dispersal of plutonium in the environment from the chemical explosion of a plutonium-bearing device. Although it was not a nuclear explosion, Operation Roller Coaster created some surface contamination which is now the subject of a corrective action strategy being implemented by the Nevada Environmental Restoration Project (NV ERP) for the U.S. Department of Energy (DOE). Corrective Action Investigation (CAI) activities will be conducted at three of the Operation Roller Coaster sites. These are Clean Slate 1 (CS-1), Clean Slate 2 (CS-2), and Clean Slate 3 (CS-3) sites, which are located on the TTR. The document that provides or references all of the specific information relative to the various investigative processes is called the Corrective Action Investigation Plan (CAIP). This CAIP has been prepared for the DOE Nevada Operations Office (DOE/NV) by IT Corporation (IT)

Clean slate corrective action investigation plan

Energy Technology Data Exchange (ETDEWEB)

NONE

1996-05-01

The Clean Slate sites discussed in this report are situated in the central portion of the Tonopah Test Range (TTR), north of the Nevada Test Site (NTS) on the northwest portion of the Nellis Air Force Range (NAFR) which is approximately 390 kilometers (km) (240 miles [mi]) northwest of Las Vegas, Nevada. These sites were the locations for three of the four Operation Roller Coaster experiments. These experiments evaluated the dispersal of plutonium in the environment from the chemical explosion of a plutonium-bearing device. Although it was not a nuclear explosion, Operation Roller Coaster created some surface contamination which is now the subject of a corrective action strategy being implemented by the Nevada Environmental Restoration Project (NV ERP) for the U.S. Department of Energy (DOE). Corrective Action Investigation (CAI) activities will be conducted at three of the Operation Roller Coaster sites. These are Clean Slate 1 (CS-1), Clean Slate 2 (CS-2), and Clean Slate 3 (CS-3) sites, which are located on the TTR. The document that provides or references all of the specific information relative to the various investigative processes is called the Corrective Action Investigation Plan (CAIP). This CAIP has been prepared for the DOE Nevada Operations Office (DOE/NV) by IT Corporation (IT).

Corrective Action Investigation Plan for Corrective Action Unit 366: Area 11 Plutonium Valley Dispersion Sites, Nevada National Security Site, Nevada

International Nuclear Information System (INIS)

Matthews, Patrick

2011-01-01

Corrective Action Unit 366 comprises the six corrective action sites (CASs) listed below: (1) 11-08-01, Contaminated Waste Dump No.1; (2) 11-08-02, Contaminated Waste Dump No.2; (3) 11-23-01, Radioactively Contaminated Area A; (4) 11-23-02, Radioactively Contaminated Area B; (5) 11-23-03, Radioactively Contaminated Area C; and (6) 11-23-04, Radioactively Contaminated Area D. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of CAAs that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed July 6, 2011, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 366. The presence and nature of contamination at CAU 366 will be evaluated based on information collected from a field investigation. Radiological contamination will be evaluated based on a comparison of the total effective dose (TED) at sample locations to the dose-based final action level (FAL). The TED will be calculated by summing the estimates of internal and external dose. Results from the analysis of soil samples collected from sample plots will be used to calculate internal radiological dose. Thermoluminescent dosimeters placed at each sample location will be used to measure external radiological dose. Based on historical documentation of the releases

Corrective Action Investigation Plan for Corrective Action Unit 554: Area 23 Release Site, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

Boehlecke, Robert F.

2004-01-01

This Corrective Action Investigation Plan (CAIP) contains project-specific information for conducting site investigation activities at Corrective Action Unit (CAU) 554: Area 23 Release Site, Nevada Test Site, Nevada. Information presented in this CAIP includes facility descriptions, environmental sample collection objectives, and criteria for the selection and evaluation of environmental samples. Corrective Action Unit 554 is located in Area 23 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 554 is comprised of one Corrective Action Site (CAS), which is: 23-02-08, USTs 23-115-1, 2, 3/Spill 530-90-002. This site consists of soil contamination resulting from a fuel release from underground storage tanks (USTs). Corrective Action Site 23-02-08 is being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Additional information will be obtained by conducting a corrective action investigation prior to evaluating corrective action alternatives and selecting the appropriate corrective action for this CAS. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document for CAU 554. Corrective Action Site 23-02-08 will be investigated based on the data quality objectives (DQOs) developed on July 15, 2004, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; and contractor personnel. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 554. Appendix A provides a detailed discussion of the DQO methodology and the DQOs specific to CAS 23-02-08. The scope of the corrective action investigation

Thermodynamics of natural selection III: Landauer's principle in computation and chemistry.

Science.gov (United States)

Smith, Eric

2008-05-21

This is the third in a series of three papers devoted to energy flow and entropy changes in chemical and biological processes, and their relations to the thermodynamics of computation. The previous two papers have developed reversible chemical transformations as idealizations for studying physiology and natural selection, and derived bounds from the second law of thermodynamics, between information gain in an ensemble and the chemical work required to produce it. This paper concerns the explicit mapping of chemistry to computation, and particularly the Landauer decomposition of irreversible computations, in which reversible logical operations generating no heat are separated from heat-generating erasure steps which are logically irreversible but thermodynamically reversible. The Landauer arrangement of computation is shown to produce the same entropy-flow diagram as that of the chemical Carnot cycles used in the second paper of the series to idealize physiological cycles. The specific application of computation to data compression and error-correcting encoding also makes possible a Landauer analysis of the somewhat different problem of optimal molecular recognition, which has been considered as an information theory problem. It is shown here that bounds on maximum sequence discrimination from the enthalpy of complex formation, although derived from the same logical model as the Shannon theorem for channel capacity, arise from exactly the opposite model for erasure.

Evaluation of some microbial agents, natural and chemical compounds for controlling tomato leaf miner, Tuta absoluta (Meyrick (Lepidoptera: Gelechiidae

Directory of Open Access Journals (Sweden)

Abd El-Ghany Nesreen M.

2016-12-01

Full Text Available Solanaceous plants have a great economic impact in Egypt. These groups of plants include potatoes, tomatoes and eggplants. The new invasive pest of tomatoes, Tuta absoluta (Meyrick causes the greatest crop losses which can range from 60 to 100%. After its detection in Egypt during the last half of 2009, it spread quickly to all provinces in the country. We aiming to propose a sustainable control program for this devastating pest. In this research we tested three groups of control agents. The first was microbial and natural, the second - plant extracts and the third - chemical insecticides. Our results showed that the impact of T. absoluta can be greatly reduced by the use of sustainable control measures represented by different insecticide groups. Bioassay experiments showed that this devastating pest can be controlled with some compounds that give high mortality rates. Of these compounds, spinosad and Beauveria bassiana, microbial control agents, followed by azadirachtin, gave the best results in controlling T. absoluta. Of the chemical insecticides, lambda-cyhalotrin was the most effective, followed by lufenuron and profenofos. In conclusion we encourage farmers to use microbial and natural control measures in combating the tomato leafminer, T. absoluta, in Integrated Pest Mangement (IPM programs.

A robust algorithm for optimizing protein structures with NMR chemical shifts

Energy Technology Data Exchange (ETDEWEB)

Berjanskii, Mark; Arndt, David; Liang, Yongjie; Wishart, David S., E-mail: david.wishart@ualberta.ca [University of Alberta, Department of Computing Science (Canada)

2015-11-15

Over the past decade, a number of methods have been developed to determine the approximate structure of proteins using minimal NMR experimental information such as chemical shifts alone, sparse NOEs alone or a combination of comparative modeling data and chemical shifts. However, there have been relatively few methods that allow these approximate models to be substantively refined or improved using the available NMR chemical shift data. Here, we present a novel method, called Chemical Shift driven Genetic Algorithm for biased Molecular Dynamics (CS-GAMDy), for the robust optimization of protein structures using experimental NMR chemical shifts. The method incorporates knowledge-based scoring functions and structural information derived from NMR chemical shifts via a unique combination of multi-objective MD biasing, a genetic algorithm, and the widely used XPLOR molecular modelling language. Using this approach, we demonstrate that CS-GAMDy is able to refine and/or fold models that are as much as 10 Å (RMSD) away from the correct structure using only NMR chemical shift data. CS-GAMDy is also able to refine of a wide range of approximate or mildly erroneous protein structures to more closely match the known/correct structure and the known/correct chemical shifts. We believe CS-GAMDy will allow protein models generated by sparse restraint or chemical-shift-only methods to achieve sufficiently high quality to be considered fully refined and “PDB worthy”. The CS-GAMDy algorithm is explained in detail and its performance is compared over a range of refinement scenarios with several commonly used protein structure refinement protocols. The program has been designed to be easily installed and easily used and is available at http://www.gamdy.ca http://www.gamdy.ca.

The Gas-Absorption/Chemical-Reaction Method for Measuring Air-Water Interfacial Area in Natural Porous Media

Science.gov (United States)

Lyu, Ying; Brusseau, Mark L.; El Ouni, Asma; Araujo, Juliana B.; Su, Xiaosi

2017-11-01

The gas-absorption/chemical-reaction (GACR) method used in chemical engineering to quantify gas-liquid interfacial area in reactor systems is adapted for the first time to measure the effective air-water interfacial area of natural porous media. Experiments were conducted with the GACR method, and two standard methods (X-ray microtomographic imaging and interfacial partitioning tracer tests) for comparison, using model glass beads and a natural sand. The results of a series of experiments conducted under identical conditions demonstrated that the GACR method exhibited excellent repeatability for measurement of interfacial area (Aia). Coefficients of variation for Aia were 3.5% for the glass beads and 11% for the sand. Extrapolated maximum interfacial areas (Am) obtained with the GACR method were statistically identical to independent measures of the specific solid surface areas of the media. For example, the Am for the glass beads is 29 (±1) cm-1, compared to 32 (±3), 30 (±2), and 31 (±2) cm-1 determined from geometric calculation, N2/BET measurement, and microtomographic measurement, respectively. This indicates that the method produced accurate measures of interfacial area. Interfacial areas determined with the GACR method were similar to those obtained with the standard methods. For example, Aias of 47 and 44 cm-1 were measured with the GACR and XMT methods, respectively, for the sand at a water saturation of 0.57. The results of the study indicate that the GACR method is a viable alternative for measuring air-water interfacial areas. The method is relatively quick, inexpensive, and requires no specialized instrumentation compared to the standard methods.

Corrective Action Investigation Plan for Corrective Action Unit 234: Mud Pits, Cellars, and Mud Spills, Nevada Test Site, Nevada, Revision 0

International Nuclear Information System (INIS)

Grant Evenson

2007-01-01

Corrective Action Unit 234, Mud Pits, Cellars, and Mud Spills, consists of 12 inactive sites located in the north and northeast section of the NTS. The 12 CAU 234 sites consist of mud pits, mud spills, mud sumps, and an open post-test cellar. The CAU 234 sites were all used to support nuclear testing conducted in the Yucca Flat and Rainier Mesa areas during the 1950s through the 1970s. The CASs in CAU 234 are being investigated because hazardous and/or radioactive constituents may be present in concentrations that could potentially pose a threat to human health and the environment. Existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives for the CASs. Additional information will be generated by conducting a CAI before evaluating and selecting appropriate corrective action alternatives

Correction tool for Active Shape Model based lumbar muscle segmentation.

Science.gov (United States)

Valenzuela, Waldo; Ferguson, Stephen J; Ignasiak, Dominika; Diserens, Gaelle; Vermathen, Peter; Boesch, Chris; Reyes, Mauricio

2015-08-01

In the clinical environment, accuracy and speed of the image segmentation process plays a key role in the analysis of pathological regions. Despite advances in anatomic image segmentation, time-effective correction tools are commonly needed to improve segmentation results. Therefore, these tools must provide faster corrections with a low number of interactions, and a user-independent solution. In this work we present a new interactive correction method for correcting the image segmentation. Given an initial segmentation and the original image, our tool provides a 2D/3D environment, that enables 3D shape correction through simple 2D interactions. Our scheme is based on direct manipulation of free form deformation adapted to a 2D environment. This approach enables an intuitive and natural correction of 3D segmentation results. The developed method has been implemented into a software tool and has been evaluated for the task of lumbar muscle segmentation from Magnetic Resonance Images. Experimental results show that full segmentation correction could be performed within an average correction time of 6±4 minutes and an average of 68±37 number of interactions, while maintaining the quality of the final segmentation result within an average Dice coefficient of 0.92±0.03.

Dead time corrections using the backward extrapolation method

Energy Technology Data Exchange (ETDEWEB)

Gilad, E., E-mail: gilade@bgu.ac.il [The Unit of Nuclear Engineering, Ben-Gurion University of the Negev, Beer-Sheva 84105 (Israel); Dubi, C. [Department of Physics, Nuclear Research Center NEGEV (NRCN), Beer-Sheva 84190 (Israel); Geslot, B.; Blaise, P. [DEN/CAD/DER/SPEx/LPE, CEA Cadarache, Saint-Paul-les-Durance 13108 (France); Kolin, A. [Department of Physics, Nuclear Research Center NEGEV (NRCN), Beer-Sheva 84190 (Israel)

2017-05-11

Dead time losses in neutron detection, caused by both the detector and the electronics dead time, is a highly nonlinear effect, known to create high biasing in physical experiments as the power grows over a certain threshold, up to total saturation of the detector system. Analytic modeling of the dead time losses is a highly complicated task due to the different nature of the dead time in the different components of the monitoring system (e.g., paralyzing vs. non paralyzing), and the stochastic nature of the fission chains. In the present study, a new technique is introduced for dead time corrections on the sampled Count Per Second (CPS), based on backward extrapolation of the losses, created by increasingly growing artificially imposed dead time on the data, back to zero. The method has been implemented on actual neutron noise measurements carried out in the MINERVE zero power reactor, demonstrating high accuracy (of 1–2%) in restoring the corrected count rate. - Highlights: • A new method for dead time corrections is introduced and experimentally validated. • The method does not depend on any prior calibration nor assumes any specific model. • Different dead times are imposed on the signal and the losses are extrapolated to zero. • The method is implemented and validated using neutron measurements from the MINERVE. • Result show very good correspondence to empirical results.

Corrective action investigation plan for the Roller Coaster RADSAFE Area, Corrective Action Unit 407, Tonopah Test Range, Nevada

International Nuclear Information System (INIS)

1998-04-01

This Corrective Action Investigation Plan (CAIP) has been developed in accordance with the Federal Facility Agreement and Consent Order (FFACO) that was agreed to by the US Department of Energy, Nevada Operations Office (DOE/NV); the State of Nevada Division of Environmental Protection (NDEP); and the US Department of Defense (FFACO, 1996). The CAIP is a document that provides or references all of the specific information for investigation activities associated with Corrective Action Units (CAUs) or Corrective Action Sites (CASs). According to the FFACO (1996), CASs are sites potentially requiring corrective action(s) and may include solid waste management units or individual disposal or release sites. CAUs consist of one or more CASs grouped together based on geography, technical similarity, or agency responsibility for the purpose of determining corrective actions. This CAIP contains the environmental sample collection objectives and the criteria for conducting site investigation activities at CAU No. 407, the Roller Coaster RADSAFE Area (RCRSA) which is located on the Tonopah Test Range (TTR). The TTR, included in the Nellis Air Force Range Complex, is approximately 255 km (140 mi) northwest of Las Vegas, Nevada. CAU No. 407 is comprised of only one CAS (TA-23-001-TARC). The RCRSA was used during May and June 1963 to decontaminate vehicles, equipment, and personnel from the Clean Slate tests. The surface and subsurface soils are likely to have been impacted by plutonium and other contaminants of potential concern (COPCs) associated with decontamination activities at this site. The purpose of the corrective action investigation described in this CAIP is to: identify the presence and nature of COPCs; determine the vertical and lateral extent of COPCs; and provide sufficient information and data to develop and evaluate appropriate corrective actions for the CAS

Evaluation of liver fat in the presence of iron with MRI using T2* correction: a clinical approach.

Science.gov (United States)

Henninger, Benjamin; Benjamin, Henninger; Kremser, Christian; Christian, Kremser; Rauch, Stefan; Stefan, Rauch; Eder, Robert; Robert, Eder; Judmaier, Werner; Werner, Judmaier; Zoller, Heinz; Heinz, Zoller; Michaely, Henrik; Henrik, Michaely; Schocke, Michael; Michael, Schocke

2013-06-01

To assess magnetic resonance imaging (MRI) with conventional chemical shift-based sequences with and without T2* correction for the evaluation of steatosis hepatitis (SH) in the presence of iron. Thirty-one patients who underwent MRI and liver biopsy because of clinically suspected diffuse liver disease were retrospectively analysed. The signal intensity (SI) was calculated in co-localised regions of interest (ROIs) using conventional spoiled gradient-echo T1 FLASH in-phase and opposed-phase (IP/OP). T2* relaxation time was recorded in a fat-saturated multi-echo-gradient-echo sequence. The fat fraction (FF) was calculated with non-corrected and T2*-corrected SIs. Results were correlated with liver biopsy. There was significant difference (P T2* corrected FF in patients with SH and concomitant hepatic iron overload (HIO). Using 5 % as a threshold resulted in eight false negative results with uncorrected FF whereas T2* corrected FF lead to true positive results in 5/8 patients. ROC analysis calculated three threshold values (8.97 %, 5.3 % and 3.92 %) for T2* corrected FF with accuracy 84 %, sensitivity 83-91 % and specificity 63-88 %. FF with T2* correction is accurate for the diagnosis of hepatic fat in the presence of HIO. Findings of our study suggest the use of IP/OP imaging in combination with T2* correction. • Magnetic resonance helps quantify both iron and fat content within the liver • T2* correction helps to predict the correct diagnosis of steatosis hepatitis • "Fat fraction" from T2*-corrected chemical shift-based sequences accurately quantifies hepatic fat • "Fat fraction" without T2* correction underestimates hepatic fat with iron overload.

Significance of the molecular diffusion for chemical and isotopic separation during the formation and degradation of natural gas reservoirs

International Nuclear Information System (INIS)

Hermichen, W.D.; Schuetze, H.

1987-01-01

Investigations at natural gas fields as well as modelling experiments have pointed out that changes of the chemical and isotopic composition occur in the course of migration, accumulation and dispersion of natural gas. Dissolution and sorption processes as well as in particular the diffusion process are considered to be the elementary separation processes. The influences on dissolved and freely flowing gases and on stationary gas accumulation are described by differential equations. The simulation of the following phenomena is shown: (1) immigration of gas into the pore space which is hydrodynamically passive, (2) diffusive migration of gas into the environment of the accumulation, and (3) diffusive 'decompression' into the roof and the floor of a gas bed and a gas containing subsoil water stratum, respectively. (author)

Internal force corrections with machine learning for quantum mechanics/molecular mechanics simulations.

Science.gov (United States)

Wu, Jingheng; Shen, Lin; Yang, Weitao

2017-10-28

Ab initio quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulation is a useful tool to calculate thermodynamic properties such as potential of mean force for chemical reactions but intensely time consuming. In this paper, we developed a new method using the internal force correction for low-level semiempirical QM/MM molecular dynamics samplings with a predefined reaction coordinate. As a correction term, the internal force was predicted with a machine learning scheme, which provides a sophisticated force field, and added to the atomic forces on the reaction coordinate related atoms at each integration step. We applied this method to two reactions in aqueous solution and reproduced potentials of mean force at the ab initio QM/MM level. The saving in computational cost is about 2 orders of magnitude. The present work reveals great potentials for machine learning in QM/MM simulations to study complex chemical processes.

Chemical buffering in natural and engineered barrier systems: Thermodynamic constraints and performance assessment consequences

International Nuclear Information System (INIS)

Arthur, R.C.; Wei Zhou

2000-12-01

Thermodynamic and kinetic constraints on the chemical buffering properties of natural and engineered-barrier systems are derived in this study from theoretical descriptions, incorporated in the reaction-path model, of reversible and irreversible mass transfer in multicomponent, multiphase systems. The buffering properties of such systems are conditional properties because they refer to a specific aqueous species in a system that is open with respect to a specific reactant. The solution to a mathematical statement of this concept requires evaluation of the dependence of the activity of the buffered species on incremental changes in the overall reaction-progress variable. This dependence can be represented by a truncated Taylor's series expansion, where the values of associated derivatives are calculated using finite-difference techniques and mass-balance, charge-balance and mass-action constraints. Kinetic constraints on buffering behavior can also be described if the relation between reactant flux and reaction rate is well defined. This relation is explicit for the important case of advective groundwater flow and water-rock interaction. We apply the theoretical basis of the chemical buffering concept to processes that could affect the performance of a deep geologic repository for nuclear waste. Specifically, we focus on the likelihood that an inverse relation must exist between the buffer intensity and the migration velocity of reaction fronts in systems involving advective or diffusive mass transport. A quantitative understanding of this relation would provide the basis for evaluating the potential role of chemical buffering in achieving the isolation and retardation functions, of the EBS and geosphere in a KBS-3 repository. Our preliminary evaluation of this role considers the effects of chemical buffering on the propagation velocity of a pH front in both the near- and far field. We use a geochemical modeling technique compatible with the reaction-path model to

Two-loop corrections for nuclear matter in the Walecka model

International Nuclear Information System (INIS)

Furnstahl, R.J.; Perry, R.J.; Serot, B.D.; Department of Physics, The Ohio State University, Columbus, Ohio 43210; Physics Department and Nuclear Theory Center, Indiana University, Bloomington, Indiana 47405)

1989-01-01

Two-loop corrections for nuclear matter, including vacuum polarization, are calculated in the Walecka model to study the loop expansion as an approximation scheme for quantum hadrodynamics. Criteria for useful approximation schemes are discussed, and the concepts of strong and weak convergence are introduced. The two-loop corrections are evaluated first with one-loop parameters and mean fields and then by minimizing the total energy density with respect to the scalar field and refitting parameters to empirical nuclear matter saturation properties. The size and nature of the corrections indicate that the loop expansion is not convergent at two-loop order in either the strong or weak sense. Prospects for alternative approximation schemes are discussed

Probabilistic validation of protein NMR chemical shift assignments

International Nuclear Information System (INIS)

Dashti, Hesam; Tonelli, Marco; Lee, Woonghee; Westler, William M.; Cornilescu, Gabriel; Ulrich, Eldon L.; Markley, John L.

2016-01-01

Data validation plays an important role in ensuring the reliability and reproducibility of studies. NMR investigations of the functional properties, dynamics, chemical kinetics, and structures of proteins depend critically on the correctness of chemical shift assignments. We present a novel probabilistic method named ARECA for validating chemical shift assignments that relies on the nuclear Overhauser effect data. ARECA has been evaluated through its application to 26 case studies and has been shown to be complementary to, and usually more reliable than, approaches based on chemical shift databases. ARECA is available online at http://areca.nmrfam.wisc.edu/ http://areca.nmrfam.wisc.edu/

Probabilistic validation of protein NMR chemical shift assignments

Energy Technology Data Exchange (ETDEWEB)

Dashti, Hesam [University of Wisconsin-Madison, Graduate Program in Biophysics, Biochemistry Department (United States); Tonelli, Marco; Lee, Woonghee; Westler, William M.; Cornilescu, Gabriel [University of Wisconsin-Madison, Biochemistry Department, National Magnetic Resonance Facility at Madison (United States); Ulrich, Eldon L. [University of Wisconsin-Madison, BioMagResBank, Biochemistry Department (United States); Markley, John L., E-mail: markley@nmrfam.wisc.edu, E-mail: jmarkley@wisc.edu [University of Wisconsin-Madison, Biochemistry Department, National Magnetic Resonance Facility at Madison (United States)

2016-01-15

Data validation plays an important role in ensuring the reliability and reproducibility of studies. NMR investigations of the functional properties, dynamics, chemical kinetics, and structures of proteins depend critically on the correctness of chemical shift assignments. We present a novel probabilistic method named ARECA for validating chemical shift assignments that relies on the nuclear Overhauser effect data. ARECA has been evaluated through its application to 26 case studies and has been shown to be complementary to, and usually more reliable than, approaches based on chemical shift databases. ARECA is available online at http://areca.nmrfam.wisc.edu/ http://areca.nmrfam.wisc.edu/.

Corrective Action Investigation Plan for Corrective Action Unit 137: Waste Disposal Sites, Nevada Test Site, Nevada, Rev. No.:0

Energy Technology Data Exchange (ETDEWEB)

Wickline, Alfred

2005-12-01

This Corrective Action Investigation Plan (CAIP) contains project-specific information including facility descriptions, environmental sample collection objectives, and criteria for conducting site investigation activities at Corrective Action Unit (CAU) 137: Waste Disposal Sites. This CAIP has been developed in accordance with the ''Federal Facility Agreement and Consent Order'' (FFACO) (1996) that was agreed to by the State of Nevada, the U.S. Department of Energy (DOE), and the U.S. Department of Defense. Corrective Action Unit 137 contains sites that are located in Areas 1, 3, 7, 9, and 12 of the Nevada Test Site (NTS), which is approximately 65 miles (mi) northwest of Las Vegas, Nevada (Figure 1-1). Corrective Action Unit 137 is comprised of the eight corrective action sites (CASs) shown on Figure 1-1 and listed below: (1) CAS 01-08-01, Waste Disposal Site; (2) CAS 03-23-01, Waste Disposal Site; (3) CAS 03-23-07, Radioactive Waste Disposal Site; (4) CAS 03-99-15, Waste Disposal Site; (5) CAS 07-23-02, Radioactive Waste Disposal Site; (6) CAS 09-23-07, Radioactive Waste Disposal Site; (7) CAS 12-08-01, Waste Disposal Site; and (8) CAS 12-23-07, Waste Disposal Site. The Corrective Action Investigation (CAI) will include field inspections, radiological surveys, geophysical surveys, sampling of environmental media, analysis of samples, and assessment of investigation results, where appropriate. Data will be obtained to support corrective action alternative evaluations and waste management decisions. The CASs in CAU 137 are being investigated because hazardous and/or radioactive constituents may be present in concentrations that could potentially pose a threat to human health and the environment. Existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives for the CASs. Additional information will be generated by conducting a CAI before evaluating and selecting

Judson_Mansouri_Automated_Chemical_Curation_QSAREnvRes_Data

Data.gov (United States)

U.S. Environmental Protection Agency — Here we describe the development of an automated KNIME workflow to curate and correct errors in the structure and identity of chemicals using the publically...

Corrective Jaw Surgery

Medline Plus

Full Text Available ... out more. Corrective Jaw Surgery Corrective Jaw Surgery Orthognathic surgery is performed to correct the misalignment of jaws ... out more. Corrective Jaw Surgery Corrective Jaw Surgery Orthognathic surgery is performed to correct the misalignment of jaws ...

Biomimetic chemical sensors using bioengineered olfactory and taste cells.

Science.gov (United States)

Du, Liping; Zou, Ling; Zhao, Luhang; Wang, Ping; Wu, Chunsheng

2014-01-01

Biological olfactory and taste systems are natural chemical sensing systems with unique performances for the detection of environmental chemical signals. With the advances in olfactory and taste transduction mechanisms, biomimetic chemical sensors have achieved significant progress due to their promising prospects and potential applications. Biomimetic chemical sensors exploit the unique capability of biological functional components for chemical sensing, which are often sourced from sensing units of biological olfactory or taste systems at the tissue level, cellular level, or molecular level. Specifically, at the cellular level, there are mainly two categories of cells have been employed for the development of biomimetic chemical sensors, which are natural cells and bioengineered cells, respectively. Natural cells are directly isolated from biological olfactory and taste systems, which are convenient to achieve. However, natural cells often suffer from the undefined sensing properties and limited amount of identical cells. On the other hand, bioengineered cells have shown decisive advantages to be applied in the development of biomimetic chemical sensors due to the powerful biotechnology for the reconstruction of the cell sensing properties. Here, we briefly summarized the most recent advances of biomimetic chemical sensors using bioengineered olfactory and taste cells. The development challenges and future trends are discussed as well.

A golden A5 model of leptons with a minimal NLO correction

International Nuclear Information System (INIS)

Cooper, Iain K.; King, Stephen F.; Stuart, Alexander J.

2013-01-01

We propose a new A 5 model of leptons which corrects the LO predictions of Golden Ratio mixing via a minimal NLO Majorana mass correction which completely breaks the original Klein symmetry of the neutrino mass matrix. The minimal nature of the NLO correction leads to a restricted and correlated range of the mixing angles allowing agreement within the one sigma range of recent global fits following the reactor angle measurement by Daya Bay and RENO. The minimal NLO correction also preserves the LO inverse neutrino mass sum rule leading to a neutrino mass spectrum that extends into the quasi-degenerate region allowing the model to be accessible to the current and future neutrinoless double beta decay experiments

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.

Approaches to chemical synthetic biology.

Science.gov (United States)

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

2012-07-16

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

Black Holes, Holography, and Quantum Error Correction

CERN Multimedia

CERN. Geneva

2017-01-01

How can it be that a local quantum field theory in some number of spacetime dimensions can "fake" a local gravitational theory in a higher number of dimensions?  How can the Ryu-Takayanagi Formula say that an entropy is equal to the expectation value of a local operator?  Why do such things happen only in gravitational theories?  In this talk I will explain how a new interpretation of the AdS/CFT correspondence as a quantum error correcting code provides satisfying answers to these questions, and more generally gives a natural way of generating simple models of the correspondence.  No familiarity with AdS/CFT or quantum error correction is assumed, but the former would still be helpful.  

CTE Corrections for WFPC2 and ACS

Science.gov (United States)

Dolphin, Andrew

2003-07-01

The error budget for optical broadband photometry is dominated by three factors: CTE corrections, long-short anomaly corrections, and photometric zero points. Questions about the dependencies of the CTE have largely been resolved, and my CTE corrections have been included in the WFPC2 handbook and tutorial. What remains to be done is the determination of the "final" CTE correction at the end of the WFPC2 mission, which will increase the accuracy of photometry obtained in the final few cycles. The long-short anomaly is still the subject of much debate, as it remains unclear whethere or not this effect is real and, if so, what its size and nature is. Photometric zero points have likewise varied by over 0.05 magnitudes in the literature, and will likely remain unresolved until the long-short anomaly is addressed {given that most calibration exposures are short while most science exposures are long}. It is also becoming apparent that similar issues will affect the accuracy of ACS photometry, and consequently that an ACS CTE study analogous to my WFPC2 work would significantly improve the calibration of ACS. I therefore propose to use archival WFPC2 images of omega Cen and ACS images of 47 Tuc to continue my HST calibration work. I also propose to begin work on "next-generation" CTE corrections, in which corrections are applied to the images based on accurate charge-trapping models rather than to the reduced photometry. This technique will allow for more accurate CTE corrections in certain cases {such as a star above a bright star or on a variable background}, improved PSF-fitting photometry of faint stars, and image restoration for accurate analysis of extended objects.

Absorption coefficient instrument for turbid natural waters

Science.gov (United States)

Friedman, E.; Cherdak, A.; Poole, L.; Houghton, W.

1980-01-01

The paper presents an instrument that directly measures multispectral absorption coefficient of turbid natural water. Attention is given to the design, which is shown to incorporate methods for the compensation of variation in the internal light source intensity, correction of the spectrally dependent nature of the optical elements, and correction for variation in the background light level. In addition, when used in conjunction with a spectrally matched total attenuation instrument, the spectrally dependent scattering coefficient can also be derived. Finally, it is reported that systematic errors associated with multiple scattering have been estimated using Monte Carlo techniques.

Natural Colorants: Food Colorants from Natural Sources.

Science.gov (United States)

Sigurdson, Gregory T; Tang, Peipei; Giusti, M Mónica

2017-02-28

The color of food is often associated with the flavor, safety, and nutritional value of the product. Synthetic food colorants have been used because of their high stability and low cost. However, consumer perception and demand have driven the replacement of synthetic colorants with naturally derived alternatives. Natural pigment applications can be limited by lower stability, weaker tinctorial strength, interactions with food ingredients, and inability to match desired hues. Therefore, no single naturally derived colorant can serve as a universal alternative for a specified synthetic colorant in all applications. This review summarizes major environmental and biological sources for natural colorants as well as nature-identical counterparts. Chemical characteristics of prevalent pigments, including anthocyanins, carotenoids, betalains, and chlorophylls, are described. The possible applications and hues (warm, cool, and achromatic) of currently used natural pigments, such as anthocyanins as red and blue colorants, and possible future alternatives, such as purple violacein and red pyranoanthocyanins, are also discussed.

Development of a silicone-membrane passive sampler for monitoring cylindrospermopsin and microcystin LR-YR-RR in natural waters

Science.gov (United States)

Nyoni, Hlengilizwe; Mamba, Bhekie B.; Msagati, Titus A. M.

2017-08-01

Silicone membrane tubes were functionalised by filling them with synthesised γ-Fe2O3 nanoparticles and used as a passive sampling device for monitoring microcystins and cylindrospermopsin in aquatic environments. This novel device was calibrated for the measurement of microcystin and cylindrospermopsin concentrations in water. The effect of temperature and hydrodynamics on the sampler performance was studied in a flow-through system under controlled conditions. The chemical uptake of microcystins (MCs) and cylindrospermopsin (CYN) into the passive sampler remained linear and integrative throughout the exposure period. The rate of accumulation of most of the MC compounds tested was dependent on temperature and flow velocity. The use of 13C labelled polychlorinated biphenyls as performance reference compounds (PRCs) in silicone membrane/γ-Fe2O3 nanoparticle passive sampler, Chemcatcher and polar organic chemical integrative sampler (POCIS) was evaluated. The majority of PRCs improved the semi quantitative nature of water concentration estimated by the three samplers. The corrected sampling rate values of model biotoxin compounds were used to estimate the time-weighted average concentrations in natural cyanobacterial water blooms of the Hartbeespoort dam. The corrected sampling rates RScorr values varied from 0.1140 to 0.5628 Ld-1 between samplers with silicone membrane having the least RScorr values compared to the Chemcatcher and POCIS. The three passive sampling devises provided a more relevant picture of the biotoxin concentration in the Hartbeespoort dam. The results suggested that the three sampling devices are suitable for use in monitoring microcystins and cylindrospermopsin concentrations in aquatic environments.

Management of chemical disposal in BARC

International Nuclear Information System (INIS)

Shenoy, K.T.; Deolekar, Shailesh

2017-01-01

Most of the activities in BARC are of radiological in nature and are regulated as per Atomic Energy Act 1962. The radioactive waste generated is managed safely as per Atomic Energy (Safe Disposal of Radioactive Waste) Rules, 1987. However, many developmental activities related to nuclear fuel cycle and laboratories, which support the quality control aspects, generate inactive chemical waste. In addition, being multidisciplinary in nature, BARC carries out research in frontiers of chemical science for societal benefit and academic interest. All these scientific activities over the decades have resulted in accumulation of many partially used/surplus laboratory chemicals. These chemicals are in large varieties though small in terms of quantity. Although these chemicals do not have any further utility and commercial value, can add to potential hazards and hence require safe disposal. Considering this, BARC Safety Council(BSC) has re-constituted the 'Advisory Committee for Chemical Disposal (ACCD)' on March 18, 2016

Isotopic composition of chemical elements in natural cycles

International Nuclear Information System (INIS)

Wetzel, K.

1977-12-01

Mathematical models developed for planning and evaluating tracer experiments have been applied in investigations of the isotopic composition of carbon in its natural cycle through various periods of the last billion years. The influence on the natural isotope ratio due to industrial combustion of fossil fuels is shown. In order to describe regional differences from the global behaviour of carbon a parameter has been introduced, which represents the time needed for one total exchange of the atmosphere in a certain region with the global atmosphere

Features of an Error Correction Memory to Enhance Technical Texts Authoring in LELIE

Directory of Open Access Journals (Sweden)

Patrick SAINT-DIZIER

2015-12-01

Full Text Available In this paper, we investigate the notion of error correction memory applied to technical texts. The main purpose is to introduce flexibility and context sensitivity in the detection and the correction of errors related to Constrained Natural Language (CNL principles. This is realized by enhancing error detection paired with relatively generic correction patterns and contextual correction recommendations. Patterns are induced from previous corrections made by technical writers for a given type of text. The impact of such an error correction memory is also investigated from the point of view of the technical writer's cognitive activity. The notion of error correction memory is developed within the framework of the LELIE project an experiment is carried out on the case of fuzzy lexical items and negation, which are both major problems in technical writing. Language processing and knowledge representation aspects are developed together with evaluation directions.

Contribution to the study of the new international philosophy of the radiological safety in the natural uranium chemical treatment

International Nuclear Information System (INIS)

Moraes da Silva, T. de

1990-01-01

The objective of this work is to adapt the Radiological Safety System in the facilities concerned to the chemical treatment of the uranium concentrated (yellow-cake) until conversion in uranium hexafluoride in the pilot plant of IPEN-CNEN/SP, to the new international philosophy adopted by ICRP and IAEA. The new philosophy changes fully the Radiological Protection concepts of preceding philosophy, changes, also, the concept of the workplace and individual monitoring as well as the classification of the working areas. In this paper we show the monitoring program, in each phase of the natural uranium treatment chemical process in conversion facility for external irradiation, surface contamination and air contamination. The results were analysed according with the new philosophy and used to reclassify the workplace. It was introduced the condition work concept taking account the time spent by the worker in that workplace. (author)

Tensor Networks and Quantum Error Correction

Science.gov (United States)

Ferris, Andrew J.; Poulin, David

2014-07-01

We establish several relations between quantum error correction (QEC) and tensor network (TN) methods of quantum many-body physics. We exhibit correspondences between well-known families of QEC codes and TNs, and demonstrate a formal equivalence between decoding a QEC code and contracting a TN. We build on this equivalence to propose a new family of quantum codes and decoding algorithms that generalize and improve upon quantum polar codes and successive cancellation decoding in a natural way.

Rewiring protein synthesis: From natural to synthetic amino acids.

Science.gov (United States)

Fan, Yongqiang; Evans, Christopher R; Ling, Jiqiang

2017-11-01

The protein synthesis machinery uses 22 natural amino acids as building blocks that faithfully decode the genetic information. Such fidelity is controlled at multiple steps and can be compromised in nature and in the laboratory to rewire protein synthesis with natural and synthetic amino acids. This review summarizes the major quality control mechanisms during protein synthesis, including aminoacyl-tRNA synthetases, elongation factors, and the ribosome. We will discuss evolution and engineering of such components that allow incorporation of natural and synthetic amino acids at positions that deviate from the standard genetic code. The protein synthesis machinery is highly selective, yet not fixed, for the correct amino acids that match the mRNA codons. Ambiguous translation of a codon with multiple amino acids or complete reassignment of a codon with a synthetic amino acid diversifies the proteome. Expanding the genetic code with synthetic amino acids through rewiring protein synthesis has broad applications in synthetic biology and chemical biology. Biochemical, structural, and genetic studies of the translational quality control mechanisms are not only crucial to understand the physiological role of translational fidelity and evolution of the genetic code, but also enable us to better design biological parts to expand the proteomes of synthetic organisms. This article is part of a Special Issue entitled "Biochemistry of Synthetic Biology - Recent Developments" Guest Editor: Dr. Ilka Heinemann and Dr. Patrick O'Donoghue. Copyright © 2017 Elsevier B.V. All rights reserved.

Corrective Action Investigation Plan for Corrective Action Unit 166: Storage Yards and Contaminated Materials, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

David Strand

2006-01-01

Corrective Action Unit 166 is located in Areas 2, 3, 5, and 18 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit (CAU) 166 is comprised of the seven Corrective Action Sites (CASs) listed below: (1) 02-42-01, Cond. Release Storage Yd - North; (2) 02-42-02, Cond. Release Storage Yd - South; (3) 02-99-10, D-38 Storage Area; (4) 03-42-01, Conditional Release Storage Yard; (5) 05-19-02, Contaminated Soil and Drum; (6) 18-01-01, Aboveground Storage Tank; and (7) 18-99-03, Wax Piles/Oil Stain. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Additional information will be obtained by conducting a corrective action investigation (CAI) before evaluating corrective action alternatives and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on February 28, 2006, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture; and Bechtel Nevada. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 166. Appendix A provides a detailed discussion of the DQO methodology and the DQOs specific to each CAS. The scope of the CAI for CAU 166 includes the following activities: (1) Move surface debris and/or materials, as needed, to facilitate sampling. (2) Conduct radiological surveys. (3) Perform field screening. (4) Collect and submit environmental samples for laboratory analysis to determine if

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.

Removal of chemical oxygen demand from textile wastewater using a natural coagulant

Energy Technology Data Exchange (ETDEWEB)

Ramavandi, Bahman [Bushehr University of Medical Sciences, Bushehr (Iran, Islamic Republic of); Farjadfard, Sima [Islamic Azad University, Tehran (Iran, Islamic Republic of)

2014-01-15

A biomaterial was successfully synthesized from Plantago ovata by using an FeCl{sub 3}-induced crude extract (FCE). The potential of FCE to act as a natural coagulant was tested for the pretreatment of real textile wastewater. Tests were performed to evaluate the effects of FCE quantity, salt concentration, and wastewater pH on chemical oxygen demand (COD) reduction during a coagulation/flocculation process. Experimental results indicated that the wastewater could be effectively treated by using a coagulation/flocculation process, where the BOD{sub 5}/COD ratio of the effluent was improved to 0.48. A low coagulant dose, 1.5mg/L, achieved a high COD removal percentage, 89%, at operational conditions of neutral pH and room temperature. The experimental data revealed that the maximum COD removal occurred at water pH<8. Increasing the salt promoted the COD removal. The settling and filterability characteristics of the sludge were also studied. Scanning electron microscopy and energy dispersive spectroscopy studies were conducted to determine the sludge structure and composition, respectively. Overall, FCE as an eco-friendly biomaterial was revealed to be a very efficient coagulant and a promising option for the removal of COD from wastewaters.

Corrective Action Investigation Plan for Corrective Action Unit 366: Area 11 Plutonium Valley Dispersion Sites, Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Patrick Matthews

2011-09-01

Corrective Action Unit 366 comprises the six corrective action sites (CASs) listed below: (1) 11-08-01, Contaminated Waste Dump No.1; (2) 11-08-02, Contaminated Waste Dump No.2; (3) 11-23-01, Radioactively Contaminated Area A; (4) 11-23-02, Radioactively Contaminated Area B; (5) 11-23-03, Radioactively Contaminated Area C; and (6) 11-23-04, Radioactively Contaminated Area D. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of CAAs that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed July 6, 2011, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 366. The presence and nature of contamination at CAU 366 will be evaluated based on information collected from a field investigation. Radiological contamination will be evaluated based on a comparison of the total effective dose (TED) at sample locations to the dose-based final action level (FAL). The TED will be calculated by summing the estimates of internal and external dose. Results from the analysis of soil samples collected from sample plots will be used to calculate internal radiological dose. Thermoluminescent dosimeters placed at each sample location will be used to measure external radiological dose. Based on historical documentation of the releases

Experience and related research and development in applying corrective measures at the major low-level radioactive waste disposal sites

International Nuclear Information System (INIS)

Rose, R.R.; Mahathy, J.M.; Epler, J.S.; Boing, L.E.; Jacobs, D.G.

1983-07-01

A review was conducted of experience in responding to problems encountered in shallow land burial of low-level radioactive waste and in research and development related to these problems. The operating histories of eleven major disposal facilities were examined. Based on the review, it was apparent that the most effective corrective measures administered were those developed from an understanding of the site conditions which caused the problems. Accordingly, the information in this document has been organized around the major conditions which have caused problems at existing sites. These include: (1) unstable trench cover, (2) permeable trench cover, (3) subsidence, (4) ground water entering trenches, (5) intrusion by deep-rooted plants, (6) intrusion by burrowing animals, and (7) chemical and physical conditions in trench. Because the burial sites are located in regions that differ in climatologic, geologic, hydrologic, and biologic characteristics, there is variation in the severity of problems among the sites and in the nature of information concerning corrective efforts. Conditions associated with water-related problems have received a great deal of attention. For these, corrective measures have ranged from the creation of diversion systems for reducing the contact of surface water with the trench cover to the installation of seals designed to prevent infiltration from reaching the buried waste. On the other hand, corrective measures for conditions of subsidence or of intrusion by burrowing animals have had limited application and are currently under evaluation or are subjects of research and development activities. 50 references, 20 figures, 10 tables

Stereospecific assignment of the asparagine and glutamine sidechain amide protons in proteins from chemical shift analysis

Energy Technology Data Exchange (ETDEWEB)

Harsch, Tobias; Schneider, Philipp; Kieninger, Bärbel; Donaubauer, Harald; Kalbitzer, Hans Robert, E-mail: hans-robert.kalbitzer@biologie.uni-regensburg.de [University of Regensburg, Institute of Biophysics and Physical Biochemistry and Centre of Magnetic Resonance in Chemistry and Biomedicine (Germany)

2017-02-15

Side chain amide protons of asparagine and glutamine residues in random-coil peptides are characterized by large chemical shift differences and can be stereospecifically assigned on the basis of their chemical shift values only. The bimodal chemical shift distributions stored in the biological magnetic resonance data bank (BMRB) do not allow such an assignment. However, an analysis of the BMRB shows, that a substantial part of all stored stereospecific assignments is not correct. We show here that in most cases stereospecific assignment can also be done for folded proteins using an unbiased artificial chemical shift data base (UACSB). For a separation of the chemical shifts of the two amide resonance lines with differences ≥0.40 ppm for asparagine and differences ≥0.42 ppm for glutamine, the downfield shifted resonance lines can be assigned to H{sup δ21} and H{sup ε21}, respectively, at a confidence level >95%. A classifier derived from UASCB can also be used to correct the BMRB data. The program tool AssignmentChecker implemented in AUREMOL calculates the Bayesian probability for a given stereospecific assignment and automatically corrects the assignments for a given list of chemical shifts.

Chemical characterisation of natural organic substrates for biological mitigation of acid mine drainage.

Science.gov (United States)

Gibert, Oriol; de Pablo, Joan; Luis Cortina, José; Ayora, Carlos

2004-11-01

The current approach of the biological treatment of acid mine drainage by means of a passive remediation system involves the choice of an appropriate organic substrate as electron donor for sulphate reducers. Nowadays this selection is one of the critical steps in the performance of such treatment, as this depends to a great extent on the degradability of the organic substrate. Thus, a prior characterisation of the organic substrate predicting its biodegradability would be desirable before embarking on an extensive large-scale application. The aim of this study was to correlate the chemical composition (lignin content) of four different natural organic substrates (compost, sheep and poultry manures, oak leaf) and their capacity to sustain bacterial activity in an attempt to predict biodegradation from chemical characterisation. The results showed that the lower the content of lignin in the organic substrate, the higher its biodegradability and capacity for developing bacterial activity. Of the four organic materials, sheep and poultry manures and oak leaf evolved reducing conditions and sustained active sulphidogenesis, which coupled with the decrease in sulphate concentration indicated bacterial activity. Sheep manure was clearly the most successful organic material as electron donor (sulphate removal >99%), followed by poultry manure and oak leaf (sulphate removal of 80%). Compost appeared to be too poor in carbon to promote sulphate-reducing bacteria activity by itself. Column experiments emphasised the importance of considering the residence time as a key factor in the performance of continuous systems. With a residence time of 0.73 days, sheep manure did not promote sulphidogenesis. However, extending residence time to 2.4 and 9.0 days resulted in an increase in the sulphate removal to 18% and 27%, respectively.

Determination of correction factor of radioelement content data generated from Exploranium GR-320 Gamma spectrometer

International Nuclear Information System (INIS)

Nasrun, S; Syamsul-Hadi, M; Sumardi

2000-01-01

Gamma-ray Spectrometer Exploranium GR-320 is the instrument radiometric survey which is able to measure radioelement content directly in field based on partial gamma-ray energy of elements. Because of the instrument is new and it was granted from the lAEA, so it is necessarily to create a correction factor for the instrument due to be gaining the better data. Correction factor was generated from comparing gamma spectrometer's radioelement content to those of chemical analysed data of calibration pad. The correction factor for Potassium (K) is 1.31, uranium is 1.46, and thorium is 0.39

Geochemical induced degradation of environmental chemicals

Energy Technology Data Exchange (ETDEWEB)

Parlar, H

1984-09-01

Attempts to correlate the concentration of organic chemicals in the environment with their production figures have resulted in a large deficit; this includes environmental chemicals such as chlorinated hydrocarbons. It has been assumed that analytical errors accounted for this deficit. Another explanation, however, allows for reactions of compounds under biotic and abiotic conditions. Because of the biostability of many organic chemicals biological transformation mechanisms can bring about slight change only. By contrast, abiotic environmental factors such as the UV-irradiation or decomposition on natural surfaces contribute considerably to the transformation of this substance class. An investigation of such abiotic charges of organic chemicals must therefore pay particular attention to dynamic and catalytic effects primarily attributable to the respective molecular state and interactions with the environment. This paper deals with the photoinduced reactions of organic substances adsorbed on natural surfaces and their significance for the degradability of environmental chemicals.

Corrective Action Investigation Plan for Corrective Action Unit 322: Areas 1 and 3 Release Sites and Injection Wells, Nevada Test Site, Nevada: Revision 0, Including Record of Technical Change No. 1

Energy Technology Data Exchange (ETDEWEB)

U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office

2003-07-16

This Corrective Action Investigation Plan contains the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office's approach to collect the data necessary to evaluate corrective action alternatives (CAAs) appropriate for the closure of Corrective Action Unit (CAU) 322, Areas 1 and 3 Release Sites and Injection Wells, Nevada Test Site, Nevada, under the Federal Facility Agreement and Consent Order. Corrective Action Unit 322 consists of three Corrective Action Sites (CASs): 01-25-01, AST Release (Area 1); 03-25-03, Mud Plant AST Diesel Release (Area 3); 03-20-05, Injection Wells (Area 3). Corrective Action Unit 322 is being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. The investigation of three CASs in CAU 322 will determine if hazardous and/or radioactive constituents are present at concentrations and locations that could potentially pose a threat to human health and the environment. The results of this field investigation will support a defensible evaluation of corrective action alternatives in the corrective action decision document.

Developing Effective Corrective Action Plan in Krsko NPP

International Nuclear Information System (INIS)

Bach, Bruno; Cizmek, Rudi; Bozin, Bojan

2014-01-01

Experience shows that many events could have been prevented if lessons had been learned from previous incidents. Event reporting thus has become an increasingly important aspect of the operation and regulation of all safety-related and public health industries. Different industries such as aeronautics, chemicals, transport and of course nuclear depend on Operating Experience (OE) feedback programs to provide lessons learned about safety. The information available under an OE programme for these organizations comprises internal event reports and analysis and external operating experience including reports on low level events and near misses and other relevant operating performance information. The worldwide OE programme (such as WANO OE) in nuclear power plants provides opportunity to learn from events at other plants. In particular, it alerts plants to mistakes or events that have occurred at other nuclear power plants and enables them to take corrective actions to prevent similar occurrences at their own plant. The intent of the effective and efficient OE program is therefore to improve personnel/plant safety, reliability and commercial performance of the operating nuclear power plants. Such a programme ensures that operating experience is analysed, events important to safety are reviewed in depth, lessons learned are disseminated to the staff and to the relevant national and international organizations and corrective actions are effectively implemented. Learning and applying the lessons from operating experience is an integral part of station safety culture and is encouraged by managers throughout the top plant administrative programs and procedures. Krsko NPP is developed its own OE program by using the most relevant INPO/WANO/IAEA guidelines as well as its own knowledge, skills an operating practice. The OE is a part of the Corrective Action Program (CAP), which is among top management programs. The purpose of this article is to present a part of the Krško NPP

Improved chemical identification from sensor arrays using intelligent algorithms

Science.gov (United States)

Roppel, Thaddeus A.; Wilson, Denise M.

2001-02-01

Intelligent signal processing algorithms are shown to improve identification rates significantly in chemical sensor arrays. This paper focuses on the use of independently derived sensor status information to modify the processing of sensor array data by using a fast, easily-implemented "best-match" approach to filling in missing sensor data. Most fault conditions of interest (e.g., stuck high, stuck low, sudden jumps, excess noise, etc.) can be detected relatively simply by adjunct data processing, or by on-board circuitry. The objective then is to devise, implement, and test methods for using this information to improve the identification rates in the presence of faulted sensors. In one typical example studied, utilizing separately derived, a-priori knowledge about the health of the sensors in the array improved the chemical identification rate by an artificial neural network from below 10 percent correct to over 99 percent correct. While this study focuses experimentally on chemical sensor arrays, the results are readily extensible to other types of sensor platforms.

Physico-chemical characterization of terbium-161-chloride (161TbCl3) radioisotope from irradiated natural gadolinium oxide target

International Nuclear Information System (INIS)

Azmairit Aziz; Nana Suherman

2015-01-01

Currently cancer patients are increasing every year in Indonesia and become the third leading cause of death after heart disease and high blood pressure. Terbium-161 ( 161 Tb) is a low β- emitter (E β - = 0.155 MeV, T 1/2 = 6.9 d) and very similar to 177 Lu in terms of half-life, E β - energy and chemical properties.However, 161 Tb also ejects internal conversion electrons and Auger electrons which can provide a greater therapeutic effect than 177 Lu. Radioisotope of 161 Tb can be produced as a carrier-free for use in labeling of biomolecules as a targeted radiopharmaceutical for cancer therapy. 161 Tb was obtained through 160 Gd(n,γ) 161 Tb nuclear reaction by thermal neutron bombardment on 100 mg of natural gadolinium oxide target in RSG-G.A. Siwabessy at a thermal neutron flux of ~10 14 n.cm -2 .s -1 and followed by radiochemical separation of 161 Tb from Gd isotopes using extraction chromatography method. The physico-chemical characterization of 161 TbCl 3 solution was studied by determination of its radionuclide purity by means of a γ-rays spectrometry with HP-Ge detector coupled to a multichannel analyzer (MCA). Radiochemical purity was determined using paper chromatography and paper electrophoresis methods. The results showed that 161 TbCl 3 radioisotope has a pH of 2, radiochemical purity of 99.64 ± 0.34%, radionuclide purity of 99.69 ± 0.20%, specific activity and radioactive concentration at the end of irradiation (EOI) of 2.26 – 5.31 Ci/mg and 3.84 – 9.03 mCi/mL, respectively. 161 TbCl 3 solution stable for 3 weeks at room temperature with a radiochemical purity of 98.41 ± 0.42%. 161 TbCl 3 solution from irradiated natural gadolinium oxide target has the physico-chemical characteristic that meets the requirements for use as a precursor in preparation of radiopharmaceuticals. (author)

Corrective Action Investigation Plan for Corrective Action Unit 190: Contaminated Waste Sites Nevada Test Site, Nevada, Rev. No.: 0

International Nuclear Information System (INIS)

Wickline, Alfred

2006-01-01

Corrective Action Unit (CAU) 190 is located in Areas 11 and 14 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 190 is comprised of the four Corrective Action Sites (CASs) listed below: (1) 11-02-01, Underground Centrifuge; (2) 11-02-02, Drain Lines and Outfall; (3) 11-59-01, Tweezer Facility Septic System; and (4) 14-23-01, LTU-6 Test Area. These sites are being investigated because existing information is insufficient on the nature and extent of potential contamination to evaluate and recommend corrective action alternatives. Additional information will be obtained before evaluating corrective action alternatives and selecting the appropriate corrective action for each CAS by conducting a corrective action investigation (CAI). The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on August 24, 2006, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture, and National Security Technologies, LLC. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 190. The scope of the CAU 190 CAI includes the following activities: (1) Move surface debris and/or materials, as needed, to facilitate sampling; (2) Conduct radiological and geophysical surveys; (3) Perform field screening; (4) Collect and submit environmental samples for laboratory analysis to determine whether contaminants of concern (COCs) are present; (5) If COCs are present, collect additional step-out samples to define the lateral and vertical extent of the contamination; (6) Collect samples of source material, if present

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.

Corrective Action Decision Document for Corrective Action Unit 204: Storage Bunkers, Nevada Test Site, Nevada, Revision 0 with ROTC 1, 2, and Errata

Energy Technology Data Exchange (ETDEWEB)

Wickline, Alfred

2004-04-01

This Corrective Action Decision Document (CADD) has been prepared for Corrective Action Unit (CAU) 204 Storage Bunkers, Nevada Test Site (NTS), Nevada, in accordance with the ''Federal Facility Agreement and Consent Order'' (FFACO) that was agreed to by the State of Nevada; U.S. Department of Energy (DOE); and the U.S. Department of Defense (FFACO, 1996). The NTS is approximately 65 miles (mi) north of Las Vegas, Nevada (Figure 1-1). The Corrective Action Sites (CASs) within CAU 204 are located in Areas 1, 2, 3, and 5 of the NTS, in Nye County, Nevada (Figure 1-2). Corrective Action Unit 204 is comprised of the six CASs identified in Table 1-1. As shown in Table 1-1, the FFACO describes four of these CASs as bunkers one as chemical exchange storage and one as a blockhouse. Subsequent investigations have identified four of these structures as instrumentation bunkers (CASs 01-34-01, 02-34-01, 03-34-01, 05-33-01), one as an explosives storage bunker (CAS 05-99-02), and one as both (CAS 05-18-02). The six bunkers included in CAU 204 were primarily used to monitor atmospheric testing or store munitions. The ''Corrective Action Investigation Plan (CAIP) for Corrective Action Unit 204: Storage Bunkers, Nevada Test Site, Nevada'' (NNSA/NV, 2002a) provides information relating to the history, planning, and scope of the investigation; therefore, it will not be repeated in this CADD. This CADD identifies potential corrective action alternatives and provides a rationale for the selection of a recommended corrective action alternative for each CAS within CAU 204. The evaluation of corrective action alternatives is based on process knowledge and the results of investigative activities conducted in accordance with the CAIP (NNSA/NV, 2002a) that was approved prior to the start of the Corrective Action Investigation (CAI). Record of Technical Change (ROTC) No. 1 to the CAIP (approval pending) documents changes to the preliminary action levels

Physico-chemical characterization of natural fermentation process of Conservolea and Kalamàta table olives and developement of a protocol for the pre-selection of fermentation starters.

Science.gov (United States)

Bleve, Gianluca; Tufariello, Maria; Durante, Miriana; Grieco, Francesco; Ramires, Francesca Anna; Mita, Giovanni; Tasioula-Margari, Maria; Logrieco, Antonio Francesco

2015-04-01

Table olives are one of the most important traditional fermented vegetables in Europe and their world consumption is constantly increasing. Conservolea and Kalamàta are the most important table olives Greek varieties. In the Greek system, the final product is obtained by spontaneous fermentations, without any chemical debittering treatment. This natural fermentation process is not predictable and strongly influenced by the physical-chemical conditions and by the presence of microorganisms contaminating the olives. Natural fermentations of Conservolea and Kalamàta cultivars black olives were studied in order to determine microbiological, biochemical and chemical evolution during the process. Following the process conditions generally used by producers, in both cultivars, yeasts were detected throughout the fermentation, whereas lactic acid bacteria (LAB) appeared in the last staged of the process. A new optimized specific protocol was developed to select autochthonous yeast and LAB isolates that can be good candidates as starters. These microorganisms were pre-selected for their ability to adapt to model brines, to have beta-glucosidase activity, not to produce biogenic amines. Chemical compounds deriving by microbiological activities and associated to the three different phases (30, 90 and 180 days) of the fermentation process were identified and were proposed as chemical descriptors to follow the fermentation progress. Copyright © 2014 Elsevier Ltd. All rights reserved.

Precautionary measures in determining volatile matter in natural coke washability fractions

Energy Technology Data Exchange (ETDEWEB)

Ashok K. Singh; N.K. Shukla; S.K. Srivastava; D.D. Haldar; B.N. Roy; Mamta Sharma [Central Institute of Mining and Fuel Research, Dhanbad (India)

2009-01-15

Industrial utilization of heat-altered coal, especially natural coke derived from coking coal, has become a challenge. As such approximately 3,500 million tones (Mt) reserves of baked coals are available in different coalfields of India. In the present investigation, a natural coke sample (03 tone) was collected from a huge dump of seam XIV of Burragarh colliery under leasehold of Bharat Coking Coal Ltd., a subsidiary of Coal India Ltd., situated in Dhanbad district of Jharkhand state. It was observed that the volatile matter in the washability fractions of different size ranges (50 to 0.5 mm) at specific gravity 1.40 to 1.80 showed erratic distribution with respect to ash. To check the abnormality, the subsamples were subjected to microscopic (petrographic) study and chemical analysis including CO{sub 2} determination. The high concentration of CO{sub 2} is related to high concentration of carbonate minerals generated due to igneous intrusions in coal seams. Based on above observations, it was concluded that the volatile matter can be corrected through determined CO{sub 2} content in each fraction. Since efforts are being made to use natural coke in different industries such as steel, power, cement, carbon artifacts, etc., a careful investigation of volatile matter distribution in natural coke washability fractions would be of immense help in planning its bulk use.

Quantitative chemical shift-encoded MRI is an accurate method to quantify hepatic steatosis.

Science.gov (United States)

Kühn, Jens-Peter; Hernando, Diego; Mensel, Birger; Krüger, Paul C; Ittermann, Till; Mayerle, Julia; Hosten, Norbert; Reeder, Scott B

2014-06-01

To compare the accuracy of liver fat quantification using a three-echo chemical shift-encoded magnetic resonance imaging (MRI) technique without and with correction for confounders with spectroscopy (MRS) as the reference standard. Fifty patients (23 women, mean age 56.6 ± 13.2 years) with fatty liver disease were enrolled. Patients underwent T2-corrected single-voxel MRS and a three-echo chemical shift-encoded gradient echo (GRE) sequence at 3.0T. MRI fat fraction (FF) was calculated without and with T2* and T1 correction and multispectral modeling of fat and compared with MRS-FF using linear regression. The spectroscopic range of liver fat was 0.11%-38.7%. Excellent correlation between MRS-FF and MRI-FF was observed when using T2* correction (R(2)  = 0.96). With use of T2* correction alone, the slope was significantly different from 1 (1.16 ± 0.03, P fat were addressed, the results showed equivalence between fat quantification using MRI and MRS (slope: 1.02 ± 0.03, P = 0.528; intercept: 0.26% ± 0.46%, P = 0.572). Complex three-echo chemical shift-encoded MRI is equivalent to MRS for quantifying liver fat, but only with correction for T2* decay and T1 recovery and use of spectral modeling of fat. This is necessary because T2* decay, T1 recovery, and multispectral complexity of fat are processes which may otherwise bias the measurements. Copyright © 2013 Wiley Periodicals, Inc.

Determination Of Activity Of Radionuclides In Moss-Soil Sample With Self-Absorption Correction

International Nuclear Information System (INIS)

Tran Thien Thanh; Chau Van Tao; Truong Thi Hong Loan; Hoang Duc Tam

2011-01-01

Hyper Pure Germanium (HPGe) spectrometer system is a very powerful tool for radioactivity measurements. The systematic uncertainty in the full energy peak efficiency is due to the differences between the matrix (density and chemical composition) of the reference and the other bulk samples. For getting precision from the gamma spectrum analysis, the absorbed correction in the sample should be considered. For gamma spectral analysis, a correction for absorption effects in sample should be considered, especially for bulk samples. The results were presented and discussed in this paper. (author)

Corrective Action Investigation Plan for Corrective Action Unit 550: Smoky Contamination Area Nevada National Security Site, Nevada

International Nuclear Information System (INIS)

Evenson, Grant

2012-01-01

Corrective Action Unit (CAU) 550 is located in Areas 7, 8, and 10 of the Nevada National Security Site, which is approximately 65 miles northwest of Las Vegas, Nevada. CAU 550, Smoky Contamination Area, comprises 19 corrective action sites (CASs). Based on process knowledge of the releases associated with the nuclear tests and radiological survey information about the location and shape of the resulting contamination plumes, it was determined that some of the CAS releases are co-located and will be investigated as study groups. This document describes the planned investigation of the following CASs (by study group): (1) Study Group 1, Atmospheric Test - CAS 08-23-04, Atmospheric Test Site T-2C; (2) Study Group 2, Safety Experiments - CAS 08-23-03, Atmospheric Test Site T-8B - CAS 08-23-06, Atmospheric Test Site T-8A - CAS 08-23-07, Atmospheric Test Site T-8C; (3) Study Group 3, Washes - Potential stormwater migration of contaminants from CASs; (4) Study Group 4, Debris - CAS 08-01-01, Storage Tank - CAS 08-22-05, Drum - CAS 08-22-07, Drum - CAS 08-22-08, Drums (3) - CAS 08-22-09, Drum - CAS 08-24-03, Battery - CAS 08-24-04, Battery - CAS 08-24-07, Batteries (3) - CAS 08-24-08, Batteries (3) - CAS 08-26-01, Lead Bricks (200) - CAS 10-22-17, Buckets (3) - CAS 10-22-18, Gas Block/Drum - CAS 10-22-19, Drum; Stains - CAS 10-22-20, Drum - CAS 10-24-10, Battery. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each study group. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed

Request for Correction 12003 Greenhouse Gas Emissions Reporting from the Petroleum and Natural Gas Industry

Science.gov (United States)

Request for Correction by the U.S. Chamber of Commerce for information in Greenhouse Gas Emissions Reporting from the Petroleum Gas Industry that regarding methane emissions, volatile organic compounds, and hazardous air pollutants.

Corrective Action Investigation Plan for Corrective Action Unit 569: Area 3 Yucca Flat Atmospheric Test Sites Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Patrick Matthews; Christy Sloop

2012-02-01

Corrective Action Unit (CAU) 569 is located in Area 3 of the Nevada National Security Site, which is approximately 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 569 comprises the nine numbered corrective action sites (CASs) and one newly identified site listed below: (1) 03-23-09, T-3 Contamination Area (hereafter referred to as Annie, Franklin, George, and Moth); (2) 03-23-10, T-3A Contamination Area (hereafter referred to as Harry and Hornet); (3) 03-23-11, T-3B Contamination Area (hereafter referred to as Fizeau); (4) 03-23-12, T-3S Contamination Area (hereafter referred to as Rio Arriba); (5) 03-23-13, T-3T Contamination Area (hereafter referred to as Catron); (6) 03-23-14, T-3V Contamination Area (hereafter referred to as Humboldt); (7) 03-23-15, S-3G Contamination Area (hereafter referred to as Coulomb-B); (8) 03-23-16, S-3H Contamination Area (hereafter referred to as Coulomb-A); (9) 03-23-21, Pike Contamination Area (hereafter referred to as Pike); and (10) Waste Consolidation Site 3A. Because CAU 569 is a complicated site containing many types of releases, it was agreed during the data quality objectives (DQO) process that these sites will be grouped. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each study group. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the DQOs developed on September 26, 2011, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office. The DQO

Economics of natural gas upgrading

International Nuclear Information System (INIS)

Hackworth, J.H.; Koch, R.W.

1995-01-01

Natural gas could be an important alternative energy source in meeting some of the market demand presently met by liquid products from crude oil. This study was initiated to analyze three energy markets to determine if greater use could be made of natural gas or natural gas derived products and if those products could be provided on an economically competitive basis. The three markets targeted for possible increases in gas use were motor fuels, power generation, and the chemical feedstocks market. The economics of processes to convert natural gas to transportation fuels, chemical products, and power were analyzed. The economic analysis was accomplished by drawing on a variety of detailed economic studies, updating them and bringing the results to a common basis. The processes analyzed included production of methanol, MTBE, higher alcohols, gasoline, CNG, and LNG for the transportation market. Production and use of methanol and ammonia in the chemical feedstock market and use of natural gas for power generation were also assessed. Use of both high and low quality gas as a process feed stream was evaluated. The analysis also explored the impact of various gas price growth rates and process facility locations, including remote gas areas. In assessing the transportation fuels market the analysis examined production and use of both conventional and new alternative motor fuels

DNA damage, acetylcholinesterase activity and lysosomal stability in native and transplanted mussels (Mytilus edulis) in areas close to coastal chemical dumping sites in Denmark

DEFF Research Database (Denmark)

Rank, Jette; Lehtonen, Kari K.; Strand, Jakob

2007-01-01

Biomarkers of genotoxicity (DNA damage, measured as tail moment in the Comet assay), neurotoxicity (acetylcholinesterase inhibition, AChE) and general stress (lysosomal membrane stability, LMS) were studied in native and transplanted blue mussels (Mytilus edulis) in coastal areas of western Denmark...... of chemical pollution complex, as seen especially in the variability in results on DNA damage, and also in regard to AChE activity. These investigations further stress the importance of understanding the effects of natural factors (salinity, temperature, water levels, rain and storm events) in correct...

Corrective Action Investigation Plan for Corrective Action Unit 542: Disposal Holes, Nevada Test Site, Nevada

International Nuclear Information System (INIS)

Laura Pastor

2006-01-01

Corrective Action Unit (CAU) 542 is located in Areas 3, 8, 9, and 20 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit 542 is comprised of eight corrective action sites (CASs): (1) 03-20-07, ''UD-3a Disposal Hole''; (2) 03-20-09, ''UD-3b Disposal Hole''; (3) 03-20-10, ''UD-3c Disposal Hole''; (4) 03-20-11, ''UD-3d Disposal Hole''; (5) 06-20-03, ''UD-6 and UD-6s Disposal Holes''; (6) 08-20-01, ''U-8d PS No.1A Injection Well Surface Release''; (7) 09-20-03, ''U-9itsy30 PS No.1A Injection Well Surface Release''; and (8) 20-20-02, ''U-20av PS No.1A Injection Well Surface Release''. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Additional information will be obtained by conducting a corrective action investigation before evaluating corrective action alternatives and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on January 30, 2006, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture; and Bechtel Nevada. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 542. Appendix A provides a detailed discussion of the DQO methodology and the DQOs specific to each CAS. The scope of the CAI for CAU 542 includes the following activities: (1) Move surface debris and/or materials, as needed, to facilitate sampling. (2) Conduct radiological surveys. (3) Conduct geophysical surveys to

Chemical composition, true metabolisable energy content and ...

African Journals Online (AJOL)

The physical characteristics (thousand seed and hectolitre mass), chemical composition (dry matter, ash, crude protein (CP), ether extract, acid detergent fibre, neutral detergent fibre and mineral content), energy values (nitrogen corrected true metabolisable energy content (TMEn for roosters)) as well as the lysine and ...

Resolving the chemical nature of nanodesigned silica surface obtained via a bottom-up approach.

Science.gov (United States)

Rahma, Hakim; Buffeteau, Thierry; Belin, Colette; Le Bourdon, Gwenaëlle; Degueil, Marie; Bennetau, Bernard; Vellutini, Luc; Heuzé, Karine

2013-08-14

The covalent grafting on silica surfaces of a functional dendritic organosilane coupling agent inserted, in a long alkyl chain monolayer, is described. In this paper, we show that depending on experimental parameters, particularly the solvent, it is possible to obtain a nanodesigned surface via a bottom-up approach. Thus, we succeed in the formation of both homogeneous dense monolayer and a heterogeneous dense monolayer, the latter being characterized by a nanosized volcano-type pattern (4-6 nm of height, 100 nm of width, and around 3 volcanos/μm(2)) randomly distributed over the surface. The dendritic attribute of the grafted silylated coupling agent affords enough anchoring sites to immobilize covalently functional gold nanoparticles (GNPs), coated with amino PEG polymer to resolve the chemical nature of the surfaces and especially the volcano type nanopattern structures of the heterogeneous monolayer. Thus, the versatile surface chemistry developed herein is particularly challenging as the nanodesign is straightforward achieved in a bottom-up approach without any specific lithography device.

ReactionMap: an efficient atom-mapping algorithm for chemical reactions.

Science.gov (United States)

Fooshee, David; Andronico, Alessio; Baldi, Pierre

2013-11-25

Large databases of chemical reactions provide new data-mining opportunities and challenges. Key challenges result from the imperfect quality of the data and the fact that many of these reactions are not properly balanced or atom-mapped. Here, we describe ReactionMap, an efficient atom-mapping algorithm. Our approach uses a combination of maximum common chemical subgraph search and minimization of an assignment cost function derived empirically from training data. We use a set of over 259,000 balanced atom-mapped reactions from the SPRESI commercial database to train the system, and we validate it on random sets of 1000 and 17,996 reactions sampled from this pool. These large test sets represent a broad range of chemical reaction types, and ReactionMap correctly maps about 99% of the atoms and about 96% of the reactions, with a mean time per mapping of 2 s. Most correctly mapped reactions are mapped with high confidence. Mapping accuracy compares favorably with ChemAxon's AutoMapper, versions 5 and 6.1, and the DREAM Web tool. These approaches correctly map 60.7%, 86.5%, and 90.3% of the reactions, respectively, on the same data set. A ReactionMap server is available on the ChemDB Web portal at http://cdb.ics.uci.edu .

Corrective Action Investigation Plan for Corrective Action Unit 570: Area 9 Yucca Flat Atmospheric Test Sites Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Patrick Matthews

2012-08-01

CAU 570 comprises the following six corrective action sites (CASs): • 02-23-07, Atmospheric Test Site - Tesla • 09-23-10, Atmospheric Test Site T-9 • 09-23-11, Atmospheric Test Site S-9G • 09-23-14, Atmospheric Test Site - Rushmore • 09-23-15, Eagle Contamination Area • 09-99-01, Atmospheric Test Site B-9A These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on April 30, 2012, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 570. The site investigation process will also be conducted in accordance with the Soils Activity Quality Assurance Plan, which establishes requirements, technical planning, and general quality practices to be applied to this activity. The presence and nature of contamination at CAU 570 will be evaluated based on information collected from a field investigation. Radiological contamination will be evaluated based on a comparison of the total effective dose at sample locations to the dose-based final action level. The total effective dose will be calculated as the total of separate estimates of internal and external dose. Results from the analysis of soil samples will be used to calculate internal radiological

Corrective Action Decision Document for Corrective Action Unit 562: Waste Systems Nevada Test Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Mark Krause

2010-08-01

This Corrective Action Decision Document (CADD) presents information supporting the selection of corrective action alternatives (CAAs) leading to the closure of Corrective Action Unit (CAU) 562, Waste Systems, in Areas 2, 23, and 25 of the Nevada Test Site, Nevada. This complies with the requirements of the Federal Facility Agreement and Consent Order (FFACO) that was agreed to by the State of Nevada; U.S. Department of Energy (DOE), Environmental Management; U.S. Department of Defense; and DOE, Legacy Management. Corrective Action Unit 562 comprises the following corrective action sites (CASs): • 02-26-11, Lead Shot • 02-44-02, Paint Spills and French Drain • 02-59-01, Septic System • 02-60-01, Concrete Drain • 02-60-02, French Drain • 02-60-03, Steam Cleaning Drain • 02-60-04, French Drain • 02-60-05, French Drain • 02-60-06, French Drain • 02-60-07, French Drain • 23-60-01, Mud Trap Drain and Outfall • 23-99-06, Grease Trap • 25-60-04, Building 3123 Outfalls The purpose of this CADD is to identify and provide the rationale for the recommendation of CAAs for the 13 CASs within CAU 562. Corrective action investigation (CAI) activities were performed from July 27, 2009, through May 12, 2010, as set forth in the CAU 562 Corrective Action Investigation Plan. The purpose of the CAI was to fulfill the following data needs as defined during the data quality objective (DQO) process: • Determine whether COCs are present. • If COCs are present, determine their nature and extent. • Provide sufficient information and data to complete appropriate corrective actions. A data quality assessment (DQA) performed on the CAU 562 data demonstrated the quality and acceptability of the data for use in fulfilling the DQO data needs. Analytes detected during the CAI were evaluated against appropriate final action levels (FALs) to identify the COCs for each CAS. The results of the CAI identified COCs at 10 of the 13 CASs in CAU 562, and thus corrective

Do high school chemistry examinations inhibit deeper level understanding of dynamic reversible chemical reactions?

Science.gov (United States)

Wheeldon, R.; Atkinson, R.; Dawes, A.; Levinson, R.

2012-07-01

Background and purpose : Chemistry examinations can favour the deployment of algorithmic procedures like Le Chatelier's Principle (LCP) rather than reasoning using chemical principles. This study investigated the explanatory resources which high school students use to answer equilibrium problems and whether the marks given for examination answers require students to use approaches beyond direct application of LCP. Sample : The questionnaire was administered to 162 students studying their first year of advanced chemistry (age 16/17) in three high achieving London high schools. Design and methods : The students' explanations of reversible chemical systems were inductively coded to identify the explanatory approaches used and interviews with 13 students were used to check for consistency. AS level examination questions on reversible reactions were analysed to identify the types of explanations sought and the students' performance in these examinations was compared to questionnaire answers. Results : 19% of students used a holistic explanatory approach: when the rates of forward and reverse reactions are correctly described, recognising their simultaneous and mutually dependent nature. 36% used a mirrored reactions approach when the connected nature of the forward and reverse reactions is identified, but not their mutual dependency. 42% failed to recognize the interdependence of forward and reverse reactions (reactions not connected approach). Only 4% of marks for AS examination questions on reversible chemical systems asked for responses which went beyond either direct application of LCP or recall of equilibrium knowledge. 37% of students attained an A grade in their AS national examinations. Conclusions : Examinations favour the application of LCP making it possible to obtain the highest grade with little understanding of reversible chemical systems beyond a direct application of this algorithm. Therefore students' understanding may be attenuated so that they are

Corrective Action Investigation Plan for Corrective Action Unit 555: Septic Systems Nevada Test Site, Nevada, Rev. No.: 0 with Errata

International Nuclear Information System (INIS)

Pastor, Laura

2005-01-01

This Corrective Action Investigation Plan (CAIP) contains project-specific information including facility descriptions, environmental sample collection objectives, and criteria for conducting site investigation activities at Corrective Action Unit (CAU) 555: Septic Systems, Nevada Test Site (NTS), Nevada. This CAIP has been developed in accordance with the ''Federal Facility Agreement and Consent Order'' (FFACO) (1996) that was agreed to by the State of Nevada, the U.S. Department of Energy (DOE), and the U.S. Department of Defense. Corrective Action Unit 555 is located in Areas 1, 3 and 6 of the NTS, which is approximately 65 miles (mi) northwest of Las Vegas, Nevada, and is comprised of the five corrective action sites (CASs) shown on Figure 1-1 and listed below: (1) CAS 01-59-01, Area 1 Camp Septic System; (2) CAS 03-59-03, Core Handling Building Septic System; (3) CAS 06-20-05, Birdwell Dry Well; (4) CAS 06-59-01, Birdwell Septic System; and (5) CAS 06-59-02, National Cementers Septic System. An FFACO modification was approved on December 14, 2005, to include CAS 06-20-05, Birdwell Dry Well, as part of the scope of CAU 555. The work scope was expanded in this document to include the investigation of CAS 06-20-05. The Corrective Action Investigation (CAI) will include field inspections, radiological surveys, geophysical surveys, sampling of environmental media, analysis of samples, and assessment of investigation results, where appropriate. Data will be obtained to support corrective action alternative evaluations and waste management decisions. The CASs in CAU 555 are being investigated because hazardous and/or radioactive constituents may be present in concentrations that could potentially pose a threat to human health and the environment. Existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives for the CASs. Additional information will be generated by conducting a CAI

Corrective Action Investigation Plan for Corrective Action Unit 555: Septic Systems Nevada Test Site, Nevada, Rev. No.: 0 with Errata

Energy Technology Data Exchange (ETDEWEB)

Pastor, Laura

2005-12-01

This Corrective Action Investigation Plan (CAIP) contains project-specific information including facility descriptions, environmental sample collection objectives, and criteria for conducting site investigation activities at Corrective Action Unit (CAU) 555: Septic Systems, Nevada Test Site (NTS), Nevada. This CAIP has been developed in accordance with the ''Federal Facility Agreement and Consent Order'' (FFACO) (1996) that was agreed to by the State of Nevada, the U.S. Department of Energy (DOE), and the U.S. Department of Defense. Corrective Action Unit 555 is located in Areas 1, 3 and 6 of the NTS, which is approximately 65 miles (mi) northwest of Las Vegas, Nevada, and is comprised of the five corrective action sites (CASs) shown on Figure 1-1 and listed below: (1) CAS 01-59-01, Area 1 Camp Septic System; (2) CAS 03-59-03, Core Handling Building Septic System; (3) CAS 06-20-05, Birdwell Dry Well; (4) CAS 06-59-01, Birdwell Septic System; and (5) CAS 06-59-02, National Cementers Septic System. An FFACO modification was approved on December 14, 2005, to include CAS 06-20-05, Birdwell Dry Well, as part of the scope of CAU 555. The work scope was expanded in this document to include the investigation of CAS 06-20-05. The Corrective Action Investigation (CAI) will include field inspections, radiological surveys, geophysical surveys, sampling of environmental media, analysis of samples, and assessment of investigation results, where appropriate. Data will be obtained to support corrective action alternative evaluations and waste management decisions. The CASs in CAU 555 are being investigated because hazardous and/or radioactive constituents may be present in concentrations that could potentially pose a threat to human health and the environment. Existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives for the CASs. Additional information will be generated by

Quark mass correction to chiral separation effect and pseudoscalar condensate

Energy Technology Data Exchange (ETDEWEB)

Guo, Er-dong [State Key Laboratory of Theoretical Physics, Institute of Theoretical Physics,Chinese Academy of Sciences,Beijing 100190 (China); Kavli Institute of Theoretical Physics China, Chinese Academy of Sciences,Beijing 100190 (China); Lin, Shu [School of Physics and Astronomy, Sun Yat-Sen University,No 2 University Road, Zhuhai 519082 (China)

2017-01-25

We derived an analytic structure of the quark mass correction to chiral separation effect (CSE) in small mass regime. We confirmed this structure by a D3/D7 holographic model study in a finite density, finite magnetic field background. The quark mass correction to CSE can be related to correlators of pseudo-scalar condensate, quark number density and quark condensate in static limit. We found scaling relations of these correlators with spatial momentum in the small momentum regime. They characterize medium responses to electric field, inhomogeneous quark mass and chiral shift. Beyond the small momentum regime, we found existence of normalizable mode, which possibly leads to formation of spiral phase. The normalizable mode exists beyond a critical magnetic field, whose magnitude decreases with quark chemical potential.

Investigating Nature's Mysteries for Drug Development

Science.gov (United States)

More than half of the drugs approved to treat cancer come from a natural product or a natural product prototype. Scientists in NCI-Frederick's Natural Products Branch are exploring ways to harness chemicals produced by marine invertebrates, other animals, plants, and microbes for cancer drug discovery.

Conformationally rigid histone deacetylase inhibitors correct DF508-CFTR protein function

DEFF Research Database (Denmark)

Vickers, Chris J.; Olsen, Christian Adam; Hutt, Darren M.

2011-01-01

and bacterial infection, therapy using HDAC inhibitors has the potential to treat and correct the underlying etiology associated with the disorder. Subsequently, we have synthesized conformationally well-defined cyclic tetrapeptide derivatives based on the natural product HDAC inhibitor Apicidin, in order...

Nearly degenerate neutrinos, supersymmetry and radiative corrections

International Nuclear Information System (INIS)

Casas, J.A.; Espinosa, J.R.; Ibarra, A.; Navarro, I.

2000-01-01

If neutrinos are to play a relevant cosmological role, they must be essentially degenerate with a mass matrix of the bimaximal mixing type. We study this scenario in the MSSM framework, finding that if neutrino masses are produced by a see-saw mechanism, the radiative corrections give rise to mass splittings and mixing angles that can accommodate the atmospheric and the (large angle MSW) solar neutrino oscillations. This provides a natural origin for the Δm 2 sol 2 atm hierarchy. On the other hand, the vacuum oscillation solution to the solar neutrino problem is always excluded. We discuss also in the SUSY scenario other possible effects of radiative corrections involving the new neutrino Yukawa couplings, including implications for triviality limits on the Majorana mass, the infrared fixed point value of the top Yukawa coupling, and gauge coupling and bottom-tau unification

Corrective Action Decision Document/Closure Report for Corrective Action Unit 371: Johnnie Boy Crater and Pin Stripe Nevada Test Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Patrick Matthews

2010-07-01

This Corrective Action Decision Document/Closure Report has been prepared for Corrective Action Unit 371, Johnnie Boy Crater and Pin Stripe, located within Areas 11 and 18 at the Nevada Test Site, Nevada, in accordance with the Federal Facility Agreement and Consent Order (FFACO). Corrective Action Unit (CAU) 371 comprises two corrective action sites (CASs): • 11-23-05, Pin Stripe Contamination Area • 18-45-01, U-18j-2 Crater (Johnnie Boy) The purpose of this Corrective Action Decision Document/Closure Report is to provide justification and documentation supporting the recommendation that no further corrective action is needed for CAU 371 based on the implementation of corrective actions. The corrective action of closure in place with administrative controls was implemented at both CASs. Corrective action investigation (CAI) activities were performed from January 8, 2009, through February 16, 2010, as set forth in the Corrective Action Investigation Plan for Corrective Action Unit 371: Johnnie Boy Crater and Pin Stripe. The approach for the CAI was divided into two facets: investigation of the primary release of radionuclides and investigation of other releases (migration in washes and chemical releases). The purpose of the CAI was to fulfill data needs as defined during the data quality objective (DQO) process. The CAU 371 dataset of investigation results was evaluated based on the data quality indicator parameters. This evaluation demonstrated the dataset is acceptable for use in fulfilling the DQO data needs. Analytes detected during the CAI were evaluated against final action levels (FALs) established in this document. Radiological doses exceeding the FAL of 25 millirem per year were not found to be present in the surface soil. However, it was assumed that radionuclides are present in subsurface media within the Johnnie Boy crater and the fissure at Pin Stripe. Due to the assumption of radiological dose exceeding the FAL, corrective actions were undertaken

Chemical buffering in natural and engineered barrier systems: Thermodynamic constraints and performance assessment consequences

Energy Technology Data Exchange (ETDEWEB)

Arthur, R.C.; Wei Zhou [Monitor Scientific, LLC, Denver, CO (United States)

2000-12-01

Thermodynamic and kinetic constraints on the chemical buffering properties of natural and engineered-barrier systems are derived in this study from theoretical descriptions, incorporated in the reaction-path model, of reversible and irreversible mass transfer in multicomponent, multiphase systems. The buffering properties of such systems are conditional properties because they refer to a specific aqueous species in a system that is open with respect to a specific reactant. The solution to a mathematical statement of this concept requires evaluation of the dependence of the activity of the buffered species on incremental changes in the overall reaction-progress variable. This dependence can be represented by a truncated Taylor's series expansion, where the values of associated derivatives are calculated using finite-difference techniques and mass-balance, charge-balance and mass-action constraints. Kinetic constraints on buffering behavior can also be described if the relation between reactant flux and reaction rate is well defined. This relation is explicit for the important case of advective groundwater flow and water-rock interaction. We apply the theoretical basis of the chemical buffering concept to processes that could affect the performance of a deep geologic repository for nuclear waste. Specifically, we focus on the likelihood that an inverse relation must exist between the buffer intensity and the migration velocity of reaction fronts in systems involving advective or diffusive mass transport. A quantitative understanding of this relation would provide the basis for evaluating the potential role of chemical buffering in achieving the isolation and retardation functions, of the EBS and geosphere in a KBS-3 repository. Our preliminary evaluation of this role considers the effects of chemical buffering on the propagation velocity of a pH front in both the near- and far field. We use a geochemical modeling technique compatible with the reaction-path model

Dissipative quantum error correction and application to quantum sensing with trapped ions.

Science.gov (United States)

Reiter, F; Sørensen, A S; Zoller, P; Muschik, C A

2017-11-28

Quantum-enhanced measurements hold the promise to improve high-precision sensing ranging from the definition of time standards to the determination of fundamental constants of nature. However, quantum sensors lose their sensitivity in the presence of noise. To protect them, the use of quantum error-correcting codes has been proposed. Trapped ions are an excellent technological platform for both quantum sensing and quantum error correction. Here we present a quantum error correction scheme that harnesses dissipation to stabilize a trapped-ion qubit. In our approach, always-on couplings to an engineered environment protect the qubit against spin-flips or phase-flips. Our dissipative error correction scheme operates in a continuous manner without the need to perform measurements or feedback operations. We show that the resulting enhanced coherence time translates into a significantly enhanced precision for quantum measurements. Our work constitutes a stepping stone towards the paradigm of self-correcting quantum information processing.

The Natural Selection of the Chemical Elements (by R. J. P. Williams and J. J. R. Fraústo da Silva)

Science.gov (United States)

Kauffman, George B.

1998-12-01

Clarendon: New York, 1996. xxvi + 646 pp. Figs., tables. 20.5 x 25.6 cm. ISBN 0-19-855843-0. $80.00. R. J. P. Williams, Royal Society Research Professor Emeritus at Wadham College, Oxford University, and J. J. R. Fraústo da Silva, Professor of Analytical Chemistry at the Instituto Superior Técnico, Universidade Técnica de Lisboa, have collaborated on two previous volumes: New Trends in Bio-inorganic Chemistry (1978) and The Biological Chemistry of the Elements (3rd printing, 1994). Their latest collaborative effort is a book whose ambitious objective is "to show the relationship of every kind of material around us, living and nonliving, to the properties of the chemical elements of the periodic table." The "natural selection" of the chemical elements results from a number of factors, all of which are described in detail. Among these are chemical affinity related to the electronic configuration of their atoms, thermodynamic and kinetic stability, and "functional value to an organisation such as a living system". The physicist's approach to material through phase structure and the phase rule is stressed rather than the chemist's approach through bonding theories. The entire book possesses a strong environmental and interdisciplinary emphasis.

Measurement of natural radioactivity in chemical fertilizer and agricultural soil: evidence of high alpha activity.

Science.gov (United States)

Ghosh, Dipak; Deb, Argha; Bera, Sukumar; Sengupta, Rosalima; Patra, Kanchan Kumar

2008-02-01

People are exposed to ionizing radiation from the radionuclides that are present in different types of natural sources, of which phosphate fertilizer is one of the most important sources. Radionuclides in phosphate fertilizer belonging to 232Th and 238U series as well as radioisotope of potassium (40K) are the major contributors of outdoor terrestrial natural radiation. The study of alpha activity in fertilizers, which is the first ever in West Bengal, has been performed in order to determine the effect of the use of phosphate fertilizers on human health. The data have been compared with the alpha activity of different types of chemical fertilizers. The measurement of alpha activity in surface soil samples collected from the cultivated land was also performed. The sampling sites were randomly selected in the cultivated land in the Midnapore district, which is the largest district in West Bengal. The phosphate fertilizer is widely used for large agricultural production, mainly potatoes. The alpha activities have been measured using solid-state nuclear track detectors (SSNTD), a very sensitive detector for alpha particles. The results show that alpha activity of those fertilizer and soil samples varies from 141 Bq/kg to 2,589 Bq/kg and from 109 Bq/kg to 660 Bq/kg, respectively. These results were used to estimate environmental radiation exposure on human health contributed by the direct application of fertilizers.

Survey of Alternative Feedstocks for Commodity Chemical Manufacturing

Energy Technology Data Exchange (ETDEWEB)

McFarlane, Joanna [ORNL; Robinson, Sharon M [ORNL

2008-02-01

The current high prices for petroleum and natural gas have spurred the chemical industry to examine alternative feedstocks for the production of commodity chemicals. High feedstock prices have driven methanol and ammonia production offshore. The U.S. Chemical Industry is the largest user of natural gas in the country. Over the last 30 years, alternatives to conventional petroleum and natural gas feedstocks have been developed, but have limited, if any, commercial implementation in the United States. Alternative feedstocks under consideration include coal from unconventional processing technologies, such as gasification and liquefaction, novel resources such as biomass, stranded natural gas from unconventional reserves, and heavy oil from tar sands or oil shale. These feedstock sources have been evaluated with respect to the feasibility and readiness for production of the highest volume commodity chemicals in the United States. Sources of organic compounds, such as ethanol from sugar fermentation and bitumen-derived heavy crude are now being primarily exploited for fuels, rather than for chemical feedstocks. Overall, government-sponsored research into the use of alternatives to petroleum feedstocks focuses on use for power and transportation fuels rather than for chemical feedstocks. Research is needed to reduce cost and technical risk. Use of alternative feedstocks is more common outside the United States R&D efforts are needed to make these processes more efficient and less risky before becoming more common domestically. The status of alternative feedstock technology is summarized.

Explicit solution for the natural frequency of structures with partial viscoelastic treatment

OpenAIRE

Høgsberg, Jan Becker

2016-01-01

The free vibration characteristics of structures with viscoelastic treatment are represented by the complex-valued natural frequencies. The assumed single mode representation associated with the low-frequency stiffness of the viscoelastic treatment is modified by a correction term representing the influence from residual vibration modes. The correction term is eliminated in terms of the corresponding natural frequency associated with the high-frequency stiffness of the viscoelastic treatment,...

Interactions between chemical and non-chemical stressors and inherent characteristics to elucidate children’s mental health disparities

Science.gov (United States)

Children may be more vulnerable to the combined interactions of chemical and non-chemical stressors from their built, natural, and social environments when compared to adults. When children are exposed to cigarette smoke, bisphenol A (BPA), or organophosphate pesticides, they are...

La correction et la révision de l’écrit en français langue seconde: médiation humaine, médiation informatique Correcting and editing texts written by FSL students: human mediation vs. computer-assisted mediation

Directory of Open Access Journals (Sweden)

Chantal Dion

2003-06-01

Full Text Available L’apprentissage de la correction / révision de l’écrit par les apprenants de français langue seconde peut-elle tirer profit des correcteurs orthographiques et grammaticaux des traitements de texte ou des correcticiels spécialisés ? La nature de la médiation informatique permet-elle aux apprenants de corriger de façon efficace leurs textes et comment se compare-t-elle avec la correction humaine ? Qu’est-ce qui différencie ces deux médiations ? Des textes rédigés par des anglophones ont été soumis aux deux types de corrections, humaine et informatique, soit deux enseignantes ayant vingt ans d’expérience et la correction informatique effectuée par le correcteur orthographique et grammatical de Word et les deux correcticiels canadiens, Le correcteur 101 et Antidote. Les résultats montrent que la nature de ces médiations n’est pas comparable et que la médiation informatique, pour être efficace, nécessite la participation active, intelligente et instruite de l’utilisateur et que les correcticiels ne peuvent pas corriger efficacement des textes d’étudiants de niveau intermédiaire.Can spellcheckers or grammar correctors, be they part of a word processor or stand-alone programs, help FSL students become more adept at correcting or editing the written texts they produce? Does computer-assisted mediation enable learners to correct their work efficiently and how does it compare with human mediation? What differentiates them? Texts written by anglophone students were corrected using both methods, i.e., on the one hand, by two teachers with 20 years experience and, on the other hand, using the specialized tools available with MSWord as well as two Canadian text correction programs, Le Correcteur 101 and Antidote. It turns out that the two methods are of very different natures ; computer-based correction can only give some positive results if the users have received appropriate training enabling them to actively and

Nature and prevalence of non-additive toxic effects in industrially relevant mixtures of organic chemicals.

Science.gov (United States)

Parvez, Shahid; Venkataraman, Chandra; Mukherji, Suparna

2009-06-01

The concentration addition (CA) and the independent action (IA) models are widely used for predicting mixture toxicity based on its composition and individual component dose-response profiles. However, the prediction based on these models may be inaccurate due to interaction among mixture components. In this work, the nature and prevalence of non-additive effects were explored for binary, ternary and quaternary mixtures composed of hydrophobic organic compounds (HOCs). The toxicity of each individual component and mixture was determined using the Vibrio fischeri bioluminescence inhibition assay. For each combination of chemicals specified by the 2(n) factorial design, the percent deviation of the predicted toxic effect from the measured value was used to characterize mixtures as synergistic (positive deviation) and antagonistic (negative deviation). An arbitrary classification scheme was proposed based on the magnitude of deviation (d) as: additive (50%, class-IV) antagonistic/synergistic. Naphthalene, n-butanol, o-xylene, catechol and p-cresol led to synergism in mixtures while 1, 2, 4-trimethylbenzene and 1, 3-dimethylnaphthalene contributed to antagonism. Most of the mixtures depicted additive or antagonistic effect. Synergism was prominent in some of the mixtures, such as, pulp and paper, textile dyes, and a mixture composed of polynuclear aromatic hydrocarbons. The organic chemical industry mixture depicted the highest abundance of antagonism and least synergism. Mixture toxicity was found to depend on partition coefficient, molecular connectivity index and relative concentration of the components.

Separation process design for isolation and purification of natural products

DEFF Research Database (Denmark)

Malwade, Chandrakant R.

Natural products are defined as secondary metabolites produced by plants and form a vast pool of compounds with unlimited chemical and functional diversity. Many of these secondary metabolites are high value added chemicals that are frequently used as ingredients in food, cosmetics, pharmaceuticals...... and other consumer products. Therefore, process technology towards industrial scale production of such high value chemicals from plants has significant value. Natural products can be obtained in pure form via synthetic or semi-synthetic route, but due to their complicated nature these methods have not been...... developed to the extent of industrial production for majority of natural products. Thus, isolation and purification of such natural products from plants is the most viable way to obtain natural products in pure form. This PhD project is mainly concerned with the design of separation process to isolate...

On the transmit field inhomogeneity correction of relaxation‐compensated amide and NOE CEST effects at 7 T

Science.gov (United States)

Windschuh, Johannes; Siero, Jeroen C.W.; Zaiss, Moritz; Luijten, Peter R.; Klomp, Dennis W.J.; Hoogduin, Hans

2017-01-01

High field MRI is beneficial for chemical exchange saturation transfer (CEST) in terms of high SNR, CNR, and chemical shift dispersion. These advantages may, however, be counter‐balanced by the increased transmit field inhomogeneity normally associated with high field MRI. The relatively high sensitivity of the CEST contrast to B 1 inhomogeneity necessitates the development of correction methods, which is essential for the clinical translation of CEST. In this work, two B 1 correction algorithms for the most studied CEST effects, amide‐CEST and nuclear Overhauser enhancement (NOE), were analyzed. Both methods rely on fitting the multi‐pool Bloch‐McConnell equations to the densely sampled CEST spectra. In the first method, the correction is achieved by using a linear B 1 correction of the calculated amide and NOE CEST effects. The second method uses the Bloch‐McConnell fit parameters and the desired B 1 amplitude to recalculate the CEST spectra, followed by the calculation of B 1‐corrected amide and NOE CEST effects. Both algorithms were systematically studied in Bloch‐McConnell equations and in human data, and compared with the earlier proposed ideal interpolation‐based B 1 correction method. In the low B 1 regime of 0.15–0.50 μT (average power), a simple linear model was sufficient to mitigate B 1 inhomogeneity effects on a par with the interpolation B 1 correction, as demonstrated by a reduced correlation of the CEST contrast with B 1 in both the simulations and the experiments. PMID:28111824

A probabilistic approach for validating protein NMR chemical shift assignments

International Nuclear Information System (INIS)

Wang Bowei; Wang, Yunjun; Wishart, David S.

2010-01-01

It has been estimated that more than 20% of the proteins in the BMRB are improperly referenced and that about 1% of all chemical shift assignments are mis-assigned. These statistics also reflect the likelihood that any newly assigned protein will have shift assignment or shift referencing errors. The relatively high frequency of these errors continues to be a concern for the biomolecular NMR community. While several programs do exist to detect and/or correct chemical shift mis-referencing or chemical shift mis-assignments, most can only do one, or the other. The one program (SHIFTCOR) that is capable of handling both chemical shift mis-referencing and mis-assignments, requires the 3D structure coordinates of the target protein. Given that chemical shift mis-assignments and chemical shift re-referencing issues should ideally be addressed prior to 3D structure determination, there is a clear need to develop a structure-independent approach. Here, we present a new structure-independent protocol, which is based on using residue-specific and secondary structure-specific chemical shift distributions calculated over small (3-6 residue) fragments to identify mis-assigned resonances. The method is also able to identify and re-reference mis-referenced chemical shift assignments. Comparisons against existing re-referencing or mis-assignment detection programs show that the method is as good or superior to existing approaches. The protocol described here has been implemented into a freely available Java program called 'Probabilistic Approach for protein Nmr Assignment Validation (PANAV)' and as a web server (http://redpoll.pharmacy.ualberta.ca/PANAVhttp://redpoll.pharmacy.ualberta.ca/PANAV) which can be used to validate and/or correct as well as re-reference assigned protein chemical shifts.

Evaluation of the process of coagulation/flocculation of produced water using Moringa oleifera Lam. as natural coagulant

Energy Technology Data Exchange (ETDEWEB)

Santana, C.R.; Pereira, D.F.; Sousa, S.C S N.; Silva, G.F. [Universidade Federal de Sergipe (UFSE), Sao Cristovao, SE (Brazil). Dept. de Engenharia Quimica], e-mail: claudia@ufs.br; Cavalcanti, E.B. [Universidade Tiradentes (UNIT), SE (Brazil). Inst. de Tecnologia e Pesquisa

2010-07-15

In the lifetime of an oil well, there comes a moment when a lot of water begins to be produced along with oil, either by the conditions of the reservoir, or as a result of water injection in the secondary recovery of the well. An important step in such process involves the treatment of the produced water by means of coagulation techniques. Therefore, the use of environmentally correct coagulants is presented as a viable alternative and has demonstrated advantages over the use of chemical coagulants. The plant of the genus Moringa, whose species is oleifera Lam, stands out as one of the most promising natural coagulants. The present study investigated the evaluation of the coagulation/flocculation of produced water, using seeds of Moringa oleifera Lam. as coagulant. The results were very significant, demonstrating that Moringa oleifera Lam. can be used as a natural coagulant in this type of treatment. (author)

Botanical discrimination of Greek unifloral honeys with physico-chemical and chemometric analyses.

Science.gov (United States)

Karabagias, Ioannis K; Badeka, Anastasia V; Kontakos, Stavros; Karabournioti, Sofia; Kontominas, Michael G

2014-12-15

The aim of the present study was to investigate the possibility of characterisation and classification of Greek unifloral honeys (pine, thyme, fir and orange blossom) according to botanical origin using volatile compounds, conventional physico-chemical parameters and chemometric analyses (MANOVA and Linear Discriminant Analysis). For this purpose, 119 honey samples were collected during the harvesting period 2011 from 14 different regions in Greece known to produce unifloral honey of good quality. Physico-chemical analysis included the identification and semi quantification of fifty five volatile compounds performed by Headspace Solid Phase Microextraction coupled to gas chromatography/mass spectroscopy and the determination of conventional quality parameters such as pH, free, lactonic, total acidity, electrical conductivity, moisture, ash, lactonic/free acidity ratio and colour parameters L, a, b. Results showed that using 40 diverse variables (30 volatile compounds of different classes and 10 physico-chemical parameters) the honey samples were satisfactorily classified according to botanical origin using volatile compounds (84.0% correct prediction), physicochemical parameters (97.5% correct prediction), and the combination of both (95.8% correct prediction) indicating that multi element analysis comprises a powerful tool for honey discrimination purposes. Copyright © 2014 Elsevier Ltd. All rights reserved.

Transformation processes influencing physico-chemical forms of radionuclides and trace elements in natural water systems

International Nuclear Information System (INIS)

Salbu, B.; Riise, G.; Oughton, D.H.

1995-01-01

In order to assess short and long term consequences of radionuclides and trace elements introduced to aquatic systems, knowledge on source terms, key factors and key processes influencing the speciation is essential. The mobility, bioavailability and subsequent transfer into food chains depend on the physico-chemical forms on radionuclides and trace metals. In addition, transformation processes and especially the interaction with natural organic matter (NOM) influences the distribution pattern. Furthermore, the prevailing climate conditions, e.g. episodic events and temperature are vital for fluxes and for the kinetics of the transformation processes. In the present work processes in catchments and processes associated with acidification, episodic events, climate conditions (temperature) and mixing zone phenomena influencing the speciation of radionuclides and trace metals are highlighted. These processes should be highly relevant for assessing far field consequences of radionuclides potentially released from disposal sites. (authors). 21 refs., 8 figs., 1 tab

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...

Natural Attenuation of the Persistent Chemical Warfare Agent ...

Science.gov (United States)

Report This project studied the influence of temperature on the natural attenuation of VX from five types of porous/permeable materials: unsealed concrete, plywood, rubber escalator handrail, high density polyethylene (HDPE) plastic, and acoustic ceiling tile.

Forest decline, natural and technically generated radioactivity

International Nuclear Information System (INIS)

Teufel, D.

1983-06-01

The question investigated is whether the radioactive rare gases emanating from nuclear plants are causative or participate in the triggering of forest disease. For one thing, a chemical reaction could be responsible for such an effect exerted by these artificial radioactive effluents. However, a calculation shows the concentration of radionuclides, respectively, in this case, their decomposition products, to be by many orders of magnitude smaller than other constituents in air; so a chemical reaction of this kind may be excluded. For the other part, rare gases might contribute to forest damage by their radioactive decomposition and late physical, chemical, and biological effects. In this connection, a detailed analysis is made of the comparability of natural radioactivity with radioactivity generated by nuclear plants. A possible contribution towards the total stress situation of forests (chemical air pollution, natural radioactivity, artificially produced radioactive rare gases, weather conditions and conditions arising from forest management and the like) would amount to a proportion smaller than 1/1000 considering natural radioactivity as a possible stress factor only. (orig.) [de

Chemical evolution and life

Directory of Open Access Journals (Sweden)

Malaterre Christophe

2015-01-01

Full Text Available In research on the origins of life, the concept of “chemical evolution” aims at explaining the transition from non-living matter to living matter. There is however strong disagreement when it comes to defining this concept more precisely, and in particular with reference to a chemical form of Darwinian evolution: for some, chemical evolution is nothing but Darwinian evolution applied to chemical systems before life appeared; yet, for others, it is the type of evolution that happened before natural selection took place, the latter being the birthmark of living systems. In this contribution, I review the arguments defended by each side and show how both views presuppose a dichotomous definition of “life”.

Distortion correction algorithm for UAV remote sensing image based on CUDA

International Nuclear Information System (INIS)

Wenhao, Zhang; Yingcheng, Li; Delong, Li; Changsheng, Teng; Jin, Liu

2014-01-01

In China, natural disasters are characterized by wide distribution, severe destruction and high impact range, and they cause significant property damage and casualties every year. Following a disaster, timely and accurate acquisition of geospatial information can provide an important basis for disaster assessment, emergency relief, and reconstruction. In recent years, Unmanned Aerial Vehicle (UAV) remote sensing systems have played an important role in major natural disasters, with UAVs becoming an important technique of obtaining disaster information. UAV is equipped with a non-metric digital camera with lens distortion, resulting in larger geometric deformation for acquired images, and affecting the accuracy of subsequent processing. The slow speed of the traditional CPU-based distortion correction algorithm cannot meet the requirements of disaster emergencies. Therefore, we propose a Compute Unified Device Architecture (CUDA)-based image distortion correction algorithm for UAV remote sensing, which takes advantage of the powerful parallel processing capability of the GPU, greatly improving the efficiency of distortion correction. Our experiments show that, compared with traditional CPU algorithms and regardless of image loading and saving times, the maximum acceleration ratio using our proposed algorithm reaches 58 times that using the traditional algorithm. Thus, data processing time can be reduced by one to two hours, thereby considerably improving disaster emergency response capability

Radiological and chemical characterization of drinking water supplies of Serido Oriental Region, Rio Grande do Norte, Brazil

Energy Technology Data Exchange (ETDEWEB)

Rojas, Lino Angel Valcarcel; Fernández, Zahily Herrero; Alvarez, Alfredo Montero [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear (CEADEN), La Habana (Cuba); Santos Júnior, José Araújo dos; Amaral, Romilton dos Santos; Santos, Josineide Marques do Nascimento [Universidade Federal de Pernambuco (DEN/UFPE), Recife, (Brazil). Departamento de Energia Nuclear; Alvarado, Jose Antonio Corcho [Federal Office for Civil Protection, Spiez Laboratory, Physics Division, Labor Spiez, Spiez (Switzerland); Milan, Marvic Ortueta [Instituto Superior de Tecnologías y Ciencias Aplicadas (InSTEC), La Habana (Cuba); Nascimento, Clístenes Williams Araújo do [Universidade Federal Rural de Pernambuco (UFRPE), Recife, (Brazil). Departamento de Agronomia

2017-07-01

The presence of natural radioactive anomalies in rocks and soils of the state of Rio Grande do Norte may contribute to an increased exposure of the local population to natural radiation sources. From this region, there is a lack of information on the levels of natural radioactivity in drinking water supplies. Hence, this work focused on the characterization of the radiological and chemical aspects of the drinking water consumed in several municipalities of the Seridó Oriental region. Samples of surface water and groundwater were analysed for gross alpha and beta radioactivity and for the content of {sup 226}Ra. The most important physical and chemical parameters of the water are reported. Most of the monitored water parameter showed values higher than those recommended for a good organoleptic quality of the water. Gross alpha activity, ranging from <0.05 to 1.61 Bq/L, showed values higher than de permissible ones in two samples. Gross beta activity, corrected for {sup 40}K contribution, ranged from 0.22 to 1.67 Bq/L. The activity concentration of {sup 226}Ra ranged from <0.01 to 0.53 Bq/L. Water quality can be considered poor, taking into the high levels of dissolved solids, affecting mainly the organoleptic characteristics of the water. Further investigation is needed to assess the behavior of the radiometric parameter in those samples with values higher than the permissible ones and to extent the study to other municipalities of the region. (author)

Radiological and chemical characterization of drinking water supplies of Serido Oriental Region, Rio Grande do Norte, Brazil

International Nuclear Information System (INIS)

Rojas, Lino Angel Valcarcel; Fernández, Zahily Herrero; Alvarez, Alfredo Montero; Santos Júnior, José Araújo dos; Amaral, Romilton dos Santos; Santos, Josineide Marques do Nascimento; Milan, Marvic Ortueta; Nascimento, Clístenes Williams Araújo do

2017-01-01

The presence of natural radioactive anomalies in rocks and soils of the state of Rio Grande do Norte may contribute to an increased exposure of the local population to natural radiation sources. From this region, there is a lack of information on the levels of natural radioactivity in drinking water supplies. Hence, this work focused on the characterization of the radiological and chemical aspects of the drinking water consumed in several municipalities of the Seridó Oriental region. Samples of surface water and groundwater were analysed for gross alpha and beta radioactivity and for the content of 226 Ra. The most important physical and chemical parameters of the water are reported. Most of the monitored water parameter showed values higher than those recommended for a good organoleptic quality of the water. Gross alpha activity, ranging from <0.05 to 1.61 Bq/L, showed values higher than de permissible ones in two samples. Gross beta activity, corrected for 40 K contribution, ranged from 0.22 to 1.67 Bq/L. The activity concentration of 226 Ra ranged from <0.01 to 0.53 Bq/L. Water quality can be considered poor, taking into the high levels of dissolved solids, affecting mainly the organoleptic characteristics of the water. Further investigation is needed to assess the behavior of the radiometric parameter in those samples with values higher than the permissible ones and to extent the study to other municipalities of the region. (author)

Chemical nature of catalysts of oxide nanoparticles in environment

Indian Academy of Sciences (India)

Carbon nanostructures (CNS) are often grown using oxide nanoparticles as catalyst in chemical vapour deposition and these oxides are not expected to survive as such during growth. In the present study, the catalysts of cobalt- and nickel oxide-based nanoparticles of sizes varying over a range have been reduced at 575 ...

The nature of chemical bonding in actinide and lanthanide ferrocyanides determined by X-ray absorption spectroscopy and density functional theory.

Science.gov (United States)

Dumas, Thomas; Guillaumont, Dominique; Fillaux, Clara; Scheinost, Andreas; Moisy, Philippe; Petit, Sébastien; Shuh, David K; Tyliszczak, Tolek; Den Auwer, Christophe

2016-01-28

The electronic properties of actinide cations are of fundamental interest to describe intramolecular interactions and chemical bonding in the context of nuclear waste reprocessing or direct storage. The 5f and 6d orbitals are the first partially or totally vacant states in these elements, and the nature of the actinide ligand bonds is related to their ability to overlap with ligand orbitals. Because of its chemical and orbital selectivities, X-ray absorption spectroscopy (XAS) is an effective probe of actinide species frontier orbitals and for understanding actinide cation reactivity toward chelating ligands. The soft X-ray probes of the light elements provide better resolution than actinide L3-edges to obtain electronic information from the ligand. Thus coupling simulations to experimental soft X-ray spectral measurements and complementary quantum chemical calculations yields quantitative information on chemical bonding. In this study, soft X-ray XAS at the K-edges of C and N, and the L2,3-edges of Fe was used to investigate the electronic structures of the well-known ferrocyanide complexes K4Fe(II)(CN)6, thorium hexacyanoferrate Th(IV)Fe(II)(CN)6, and neodymium hexacyanoferrate KNd(III)Fe(II)(CN)6. The soft X-ray spectra were simulated based on quantum chemical calculations. Our results highlight the orbital overlapping effects and atomic effective charges in the Fe(II)(CN)6 building block. In addition to providing a detailed description of the electronic structure of the ferrocyanide complex (K4Fe(II)(CN)6), the results strongly contribute to confirming the actinide 5f and 6d orbital oddity in comparison to lanthanide 4f and 5d.

Mapping Global Flows of Chemicals: From Fossil Fuel Feedstocks to Chemical Products.

Science.gov (United States)

Levi, Peter G; Cullen, Jonathan M

2018-02-20

Chemical products are ubiquitous in modern society. The chemical sector is the largest industrial energy consumer and the third largest industrial emitter of carbon dioxide. The current portfolio of mitigation options for the chemical sector emphasizes upstream "supply side" solutions, whereas downstream mitigation options, such as material efficiency, are given comparatively short shrift. Key reasons for this are the scarcity of data on the sector's material flows, and the highly intertwined nature of its complex supply chains. We provide the most up to date, comprehensive and transparent data set available publicly, on virgin production routes in the chemical sector: from fossil fuel feedstocks to chemical products. We map global mass flows for the year 2013 through a complex network of transformation processes, and by taking account of secondary reactants and by-products, we maintain a full mass balance throughout. The resulting data set partially addresses the dearth of publicly available information on the chemical sector's supply chain, and can be used to prioritise downstream mitigation options.

Chemical and colour quenching in liquid scintillation counting

International Nuclear Information System (INIS)

Grau Malonda, A.; Scott Guilleard, P.E.

1986-01-01

Chemical and colour quenching for H-3 and C-14 was studied. The method includes spectral analysis of colouring agents; methyl red (4'-dimethylamine-azobenzene 2-carboxilic acid) dimethyl yellow (4'-dimethylamine-azobenzene) and melachite green (metane, bis (4'-dimethyl aminophenyl)-(phenyl)). External standard channels ratio was applied for the liquid scintillation counting of samples. The introduction of an isolated external standard seems to be a strong tool for the correction of chemical and colour quenching curves. (author). 10 figs., 12 refs

Chemical and colour quenching in liquid scintillation counting

International Nuclear Information System (INIS)

Scott G, P. E.; Grau M, A.

1987-01-01

Chemical and colour quenching for H-3 and C-14 was studied. The method includes spectral analysis of colouring agents; methyl red, (4'-dimethylamine-azobenzene 2-carboxylic acid) dimethyl yellow (4'-dimethylamine-azobenzene) and malachite green (methane, bis .(4-dimethyl aminophenyl) - (phenyl)). External standard channels ratio was applied for the liquid scintillation counting of samples. The introduction of an isolated external standard seems to be a strong tool for the correction of chemical and colour quenching curves. (Author) 12 refs

The natural gas ducts and the ICMS; Os dutos de gas natural e o ICMS

Energy Technology Data Exchange (ETDEWEB)

Galvao, Rafael Silva Paes Pires; Silveira Neto, Otacilio dos Santos; Gomes, Carlos Roberto de Miranda [Rio Grande do Norte Univ., Natal, RN (Brazil). Programa de Recursos Humanos da ANP para o Setor Petroleo e Gas, PRH-36

2005-07-01

With the advent of the Constitutional Emendation no. 9/95 operated it the open of the industry of the oil and the natural gas for companies others that came to be contracted by the State. Ahead of the insertion of new players, the regulation of the sector was given for the Law (no. 9.478/97), as well for legal acts edited for the National Agency of the Oil - ANP. Meanwhile, the Oil norm little disciplined the industry of the natural gas that, for its peculiarities, imposes specific rules. In this context, the transport of the natural gas by means of ducts become prominent for the lack of debates on the correct form to classify them. The present work has for target to analyze the legal types instituted by the Law and for the ANP acts for the ducts, as form of if having a correct understanding of the matter. Thus, will reveal as each one of the adopted classifications can cause (or not) the incidence of the ICMS, or either, as the legal regimen of the gas-lines is correlated with the tax. (author)

Procedures of amino acid sequencing of peptides in natural proteins collection of knowledge and intelligence for construction of reliable chemical inference system

OpenAIRE

Kudo, Yoshihiro; Kanaya, Shigehiko

1994-01-01

In order to establish a reliable chemical inference system on amino acid sequencing of natural peptides, as various kinds of relevant knowledge and intelligence as possible are collected. Topics are on didemnins, dolastatin 3, TL-119 and/or A-3302-B, mycosubtilin, patellamide A, duramycin (and cinnamycin), bottoromycin A 2, A19009, galantin I, vancomycin, stenothricin, calf speleen profilin, neocarzinostatin, pancreatic spasmolytic polypeptide, cerebratulus toxin B-IV, RNAase U 2, ferredoxin ...

Author Correction: Culex pipiens crossing type diversity is governed by an amplified and polymorphic operon of Wolbachia.

Science.gov (United States)

Bonneau, Manon; Atyame, Celestine; Beji, Marwa; Justy, Fabienne; Cohen-Gonsaud, Martin; Sicard, Mathieu; Weill, Mylène

2018-04-11

In the originally published HTML and PDF versions of this Article, gel images in Figures 7c and 8c were not prepared as per the Nature journal policy. These figure panels have now been corrected in both the PDF and HTML versions of the Article.In Fig. 7c, the lane labelled 'Ha' was inappropriately duplicated to represent the lane labelled 'Ich13'. The corrected version of Fig. 7c includes PCR-RFLP on DNA from the Ichkeul 13 line, which had been run on a separate gel. The original unprocessed gel images are provided in Supplementary Figure 1 associated with this correction, with the relevant corresponding bands denoted. A repeat experiment of the PCR-RFLP test is also presented as Supplementary Figure 2.In Fig. 8c, the image was assembled from two separate gels without clear demarcation. The corrected Fig. 8c clearly separates lanes from the two gels, and the original unprocessed gel images are provided in the Supplementary Information associated with this correction.These corrections do not alter the original meaning of the experiments, their results, their interpretation, or the conclusions of the paper. We apologize for any confusion this may have caused to the readers of Nature Communications.

Corrective Action Decision Document/Closure Report for Corrective Action Unit 106: Area 5, 11 Frenchman Flat Atmospheric Sites, Nevada National Security Site, Nevada

International Nuclear Information System (INIS)

Matthews, Patrick; Peterson, Dawn

2011-01-01

Corrective Action Unit 106 comprises four corrective action sites (CASs): (1) 05-20-02, Evaporation Pond; (2) 05-23-05, Atmospheric Test Site - Able; (3) 05-45-04, 306 GZ Rad Contaminated Area; (4) 05-45-05, 307 GZ Rad Contaminated Area. The purpose of this CADD/CR is to provide justification and documentation supporting the recommendation that no further corrective action is needed for CAU 106 based on the implementation of corrective actions. The corrective action of clean closure was implemented at CASs 05-45-04 and 05-45-05, while no corrective action was necessary at CASs 05-20-02 and 05-23-05. Corrective action investigation (CAI) activities were performed from October 20, 2010, through June 1, 2011, as set forth in the Corrective Action Investigation Plan for Corrective Action Unit 106: Areas 5, 11 Frenchman Flat Atmospheric Sites. The approach for the CAI was divided into two facets: investigation of the primary release of radionuclides, and investigation of other releases (mechanical displacement and chemical releases). The purpose of the CAI was to fulfill data needs as defined during the data quality objective (DQO) process. The CAU 106 dataset of investigation results was evaluated based on a data quality assessment. This assessment demonstrated the dataset is complete and acceptable for use in fulfilling the DQO data needs. Investigation results were evaluated against final action levels (FALs) established in this document. A radiological dose FAL of 25 millirem per year was established based on the Industrial Area exposure scenario (2,250 hours of annual exposure). The only radiological dose exceeding the FAL was at CAS 05-45-05 and was associated with potential source material (PSM). It is also assumed that additional PSM in the form of depleted uranium (DU) and DU-contaminated debris at CASs 05-45-04 and 05-45-05 exceed the FAL. Therefore, corrective actions were undertaken at these CASs that consisted of removing PSM and collecting verification

[The susceptibility of different animal species to synanthropic and natural populations of Trichinella].

Science.gov (United States)

Artemenko, Iu G; Artemenko, L P

1997-01-01

Pigs have been found to be highly susceptible to the synanthropic (domestic) population of Trichinella [correction of Trachina] and weakly susceptible to the natural (native) one. Fur-bearing animals (polar foxes and foxes) are more susceptible to the natural population of Trichinella [correction of Trachina], but minks are equally sensible to the two variants of T. spiralis. In the host's body, synanthropic Trichinella [correction of Trachinas] form capsules of lemon-like, less frequently, oval shape, but the native population do round capsules. There is larval adaptation when Trichinella [correction of Trachina] larvae enter the nonspecific host's body after their prepassage through the organism of domestic carnivorous animals (cats, dogs). The pig is successfully infected with T. spiralis nativa via the cat or dog; the infection rate is approximately close to that observed during control infection of pigs with synanthropic Trichinella [correction of Trachina].

Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking.

Science.gov (United States)

Jayaseelan, Kalai Vanii; Steinbeck, Christoph

2014-07-05

In metabolomics experiments, spectral fingerprints of metabolites with no known structural identity are detected routinely. Computer-assisted structure elucidation (CASE) has been used to determine the structural identities of unknown compounds. It is generally accepted that a single 1D NMR spectrum or mass spectrum is usually not sufficient to establish the identity of a hitherto unknown compound. When a suite of spectra from 1D and 2D NMR experiments supplemented with a molecular formula are available, the successful elucidation of the chemical structure for candidates with up to 30 heavy atoms has been reported previously by one of the authors. In high-throughput metabolomics, usually 1D NMR or mass spectrometry experiments alone are conducted for rapid analysis of samples. This method subsequently requires that the spectral patterns are analyzed automatically to quickly identify known and unknown structures. In this study, we investigated whether additional existing knowledge, such as the fact that the unknown compound is a natural product, can be used to improve the ranking of the correct structure in the result list after the structure elucidation process. To identify unknowns using as little spectroscopic information as possible, we implemented an evolutionary algorithm-based CASE mechanism to elucidate candidates in a fully automated fashion, with input of the molecular formula and 13C NMR spectrum of the isolated compound. We also tested how filters like natural product-likeness, a measure that calculates the similarity of the compounds to known natural product space, might enhance the performance and quality of the structure elucidation. The evolutionary algorithm is implemented within the SENECA package for CASE reported previously, and is available for free download under artistic license at http://sourceforge.net/projects/seneca/. The natural product-likeness calculator is incorporated as a plugin within SENECA and is available as a GUI client and

Chemical ecology of fungi.

Science.gov (United States)

Spiteller, Peter

2015-07-01

Fungi are widespread in nature and have conquered nearly every ecological niche. Fungi occur not only in terrestrial but also in freshwater and marine environments. Moreover, fungi are known as a rich source of secondary metabolites. Despite these facts, the ecological role of many of these metabolites is still unknown and the chemical ecology of fungi has not been investigated systematically so far. This review intends to present examples of the various chemical interactions of fungi with other fungi, plants, bacteria and animals and to give an overview of the current knowledge of fungal chemical ecology.

Corrective Action Investigation Plan for Corrective Action Unit 105: Area 2 Yucca Flat Atmospheric Test Sites Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Patrick Matthews

2012-09-01

Corrective Action Unit (CAU) 105 is located in Area 2 of the Nevada National Security Site, which is approximately 65 miles northwest of Las Vegas, Nevada. CAU 105 is a geographical grouping of sites where there has been a suspected release of contamination associated with atmospheric nuclear testing. This document describes the planned investigation of CAU 105, which comprises the following corrective action sites (CASs): • 02-23-04, Atmospheric Test Site - Whitney • 02-23-05, Atmospheric Test Site T-2A • 02-23-06, Atmospheric Test Site T-2B • 02-23-08, Atmospheric Test Site T-2 • 02-23-09, Atmospheric Test Site - Turk These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on April 30, 2012, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 105. The site investigation process will also be conducted in accordance with the Soils Activity Quality Assurance Plan, which establishes requirements, technical planning, and general quality practices to be applied to this activity. The potential contamination sources associated with all CAU 105 CASs are from atmospheric nuclear testing activities. The presence and nature of contamination at CAU

75 FR 28599 - Acacia Natural Gas Corporation; Notice of Baseline Filing

Science.gov (United States)

2010-05-21

... Natural Gas Corporation (Acacia) submitted a corrected baseline filing of its Statement of Operating Conditions for the interruptible transportation services provided under section 311(a)(2) of the Natural Gas... DEPARTMENT OF ENERGY Federal Energy Regulatory Commission [Docket No. PR10-16-002] Acacia Natural...

Non-equilibrium Quasi-Chemical Nucleation Model

Science.gov (United States)

Gorbachev, Yuriy E.

2018-04-01

Quasi-chemical model, which is widely used for nucleation description, is revised on the basis of recent results in studying of non-equilibrium effects in reacting gas mixtures (Kolesnichenko and Gorbachev in Appl Math Model 34:3778-3790, 2010; Shock Waves 23:635-648, 2013; Shock Waves 27:333-374, 2017). Non-equilibrium effects in chemical reactions are caused by the chemical reactions themselves and therefore these contributions should be taken into account in the corresponding expressions for reaction rates. Corrections to quasi-equilibrium reaction rates are of two types: (a) spatially homogeneous (caused by physical-chemical processes) and (b) spatially inhomogeneous (caused by gas expansion/compression processes and proportional to the velocity divergency). Both of these processes play an important role during the nucleation and are included into the proposed model. The method developed for solving the generalized Boltzmann equation for chemically reactive gases is applied for solving the set of equations of the revised quasi-chemical model. It is shown that non-equilibrium processes lead to essential deviation of the quasi-stationary distribution and therefore the nucleation rate from its traditional form.

Corrective Action Investigation Plan for Corrective Action Unit 166: Storage Yards and Contaminated Materials, Nevada Test Site, Nevada, Rev. No.: 0

Energy Technology Data Exchange (ETDEWEB)

David Strand

2006-06-01

Corrective Action Unit 166 is located in Areas 2, 3, 5, and 18 of the Nevada Test Site, which is 65 miles northwest of Las Vegas, Nevada. Corrective Action Unit (CAU) 166 is comprised of the seven Corrective Action Sites (CASs) listed below: (1) 02-42-01, Cond. Release Storage Yd - North; (2) 02-42-02, Cond. Release Storage Yd - South; (3) 02-99-10, D-38 Storage Area; (4) 03-42-01, Conditional Release Storage Yard; (5) 05-19-02, Contaminated Soil and Drum; (6) 18-01-01, Aboveground Storage Tank; and (7) 18-99-03, Wax Piles/Oil Stain. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Additional information will be obtained by conducting a corrective action investigation (CAI) before evaluating corrective action alternatives and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on February 28, 2006, by representatives of the Nevada Division of Environmental Protection; U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office; Stoller-Navarro Joint Venture; and Bechtel Nevada. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 166. Appendix A provides a detailed discussion of the DQO methodology and the DQOs specific to each CAS. The scope of the CAI for CAU 166 includes the following activities: (1) Move surface debris and/or materials, as needed, to facilitate sampling. (2) Conduct radiological surveys. (3) Perform field screening. (4) Collect and submit environmental samples for laboratory analysis to determine if

Use of mass and toxicity balances in risk-based corrective action decisions at contaminated sites

International Nuclear Information System (INIS)

Sevigny, J.H.; Lintott, D.; Wrubleski, R.M.; Drury, C.R.

1997-01-01

The contaminated groundwater at a sour gas plant facility was studied to identify the chemicals of environmental concern. Simple mass balance principles were used to determine the proportion of organic carbon, organic nitrogen and Microtox R toxicity that can be attributed to two process chemicals that have contaminated several sour gas plants in western Canada. The two process chemicals are sulfolane and diisopropanolamine (DIPA). The organic carbon balance was calculated by determining the molar contribution of sulfolane and DIPA relative to the mass of carboxylic acid-corrected dissolved organic carbon. Organic carbon balances ranged from 44 to 96 per cent. The organic nitrogen balance was calculated by determining the molar contribution of DIPA relative to the mass of ammonium ion-corrected dissolved Kjeldahl nitrogen. The nitrogen balances were highly variable between 8 to 48 per cent for samples with organic nitrogen concentrations between 10 and 32 mg/L. The Microtox R toxicity balance was calculated by determining the proportions of toxicity that could be accounted for by pure phase sulfolane and DIPA. The Microtox R toxicity balance for samples that showed significant toxicity ranged from 71 to 122 per cent

Use of mass and toxicity balances in risk-based corrective action decisions at contaminated sites

Energy Technology Data Exchange (ETDEWEB)

Sevigny, J.H. [Komex Consultants Ltd., Calgary, AB (Canada); Lintott, D. [HydroQual Consultants, Inc., Calgary, AB (Canada); Wrubleski, R.M.; Drury, C.R. [Shell Canada Ltd., Calgary, AB (Canada). Calgary Research Centre

1997-12-31

The contaminated groundwater at a sour gas plant facility was studied to identify the chemicals of environmental concern. Simple mass balance principles were used to determine the proportion of organic carbon, organic nitrogen and Microtox{sup R} toxicity that can be attributed to two process chemicals that have contaminated several sour gas plants in western Canada. The two process chemicals are sulfolane and diisopropanolamine (DIPA). The organic carbon balance was calculated by determining the molar contribution of sulfolane and DIPA relative to the mass of carboxylic acid-corrected dissolved organic carbon. Organic carbon balances ranged from 44 to 96 per cent. The organic nitrogen balance was calculated by determining the molar contribution of DIPA relative to the mass of ammonium ion-corrected dissolved Kjeldahl nitrogen. The nitrogen balances were highly variable between 8 to 48 per cent for samples with organic nitrogen concentrations between 10 and 32 mg/L. The Microtox{sup R} toxicity balance was calculated by determining the proportions of toxicity that could be accounted for by pure phase sulfolane and DIPA. The Microtox{sup R} toxicity balance for samples that showed significant toxicity ranged from 71 to 122 per cent.

Natural product synthesis at the interface of chemistry and biology

Science.gov (United States)

2014-01-01

Nature has evolved to produce unique and diverse natural products that possess high target affinity and specificity. Natural products have been the richest sources for novel modulators of biomolecular function. Since the chemical synthesis of urea by Wöhler, organic chemists have been intrigued by natural products, leading to the evolution of the field of natural product synthesis over the past two centuries. Natural product synthesis has enabled natural products to play an essential role in drug discovery and chemical biology. With the introduction of novel, innovative concepts and strategies for synthetic efficiency, natural product synthesis in the 21st century is well poised to address the challenges and complexities faced by natural product chemistry and will remain essential to progress in biomedical sciences. PMID:25043880

Corrective Action Investigation Plan for Corrective Action Unit 550: Smoky Contamination Area Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Grant Evenson

2012-05-01

Corrective Action Unit (CAU) 550 is located in Areas 7, 8, and 10 of the Nevada National Security Site, which is approximately 65 miles northwest of Las Vegas, Nevada. CAU 550, Smoky Contamination Area, comprises 19 corrective action sites (CASs). Based on process knowledge of the releases associated with the nuclear tests and radiological survey information about the location and shape of the resulting contamination plumes, it was determined that some of the CAS releases are co-located and will be investigated as study groups. This document describes the planned investigation of the following CASs (by study group): (1) Study Group 1, Atmospheric Test - CAS 08-23-04, Atmospheric Test Site T-2C; (2) Study Group 2, Safety Experiments - CAS 08-23-03, Atmospheric Test Site T-8B - CAS 08-23-06, Atmospheric Test Site T-8A - CAS 08-23-07, Atmospheric Test Site T-8C; (3) Study Group 3, Washes - Potential stormwater migration of contaminants from CASs; (4) Study Group 4, Debris - CAS 08-01-01, Storage Tank - CAS 08-22-05, Drum - CAS 08-22-07, Drum - CAS 08-22-08, Drums (3) - CAS 08-22-09, Drum - CAS 08-24-03, Battery - CAS 08-24-04, Battery - CAS 08-24-07, Batteries (3) - CAS 08-24-08, Batteries (3) - CAS 08-26-01, Lead Bricks (200) - CAS 10-22-17, Buckets (3) - CAS 10-22-18, Gas Block/Drum - CAS 10-22-19, Drum; Stains - CAS 10-22-20, Drum - CAS 10-24-10, Battery. These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each study group. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed

Training of panellists for the sensory control of bottled natural mineral water in connection with water chemical properties.

Science.gov (United States)

Rey-Salgueiro, Ledicia; Gosálbez-García, Aitana; Pérez-Lamela, Concepción; Simal-Gándara, Jesús; Falqué-López, Elena

2013-11-01

As bottled mineral water market is increasing in the world (especially in emergent and developed countries), the development of a simple protocol to train a panel to evaluate sensory properties would be a useful tool for natural drinking water industry. A sensory protocol was developed to evaluate bottled natural mineral water (17 still and 10 carbonated trademarks). The tasting questionnaire included 13 attributes for still water plus overall impression and they were sorted by: colour hues, transparency and brightness, odour/aroma and taste/flavour/texture and 2 more for carbonated waters (bubbles and effervescence). The training lasted two months with, at least, 10 sessions, was adequate to evaluate bottled natural mineral water. To confirm the efficiency of the sensory training procedure two sensory groups formed the whole panel. One trained panel (6 persons) and one professional panel (6 sommeliers) and both participated simultaneously in the water tasting evaluation of 3 sample lots. Similar average scores obtained from trained and professional judges, with the same water trademarks, confirmed the usefulness of the training protocol. The differences obtained for trained panel in the first lot confirm the necessity to train always before a sensory procedure. A sensory water wheel is proposed to guide the training in bottled mineral water used for drinking, in connection with their chemical mineral content. Copyright © 2013 Elsevier Ltd. All rights reserved.

NLO corrections to the photon impact factor: Combining real and virtual corrections

International Nuclear Information System (INIS)

Bartels, J.; Colferai, D.; Kyrieleis, A.; Gieseke, S.

2002-08-01

In this third part of our calculation of the QCD NLO corrections to the photon impact factor we combine our previous results for the real corrections with the singular pieces of the virtual corrections and present finite analytic expressions for the quark-antiquark-gluon intermediate state inside the photon impact factor. We begin with a list of the infrared singular pieces of the virtual correction, obtained in the first step of our program. We then list the complete results for the real corrections (longitudinal and transverse photon polarization). In the next step we defined, for the real corrections, the collinear and soft singular regions and calculate their contributions to the impact factor. We then subtract the contribution due to the central region. Finally, we combine the real corrections with the singular pieces of the virtual corrections and obtain our finite results. (orig.)

Depleted and natural uranium: chemistry and toxicological effects.

Science.gov (United States)

Craft, Elena; Abu-Qare, Aquel; Flaherty, Meghan; Garofolo, Melissa; Rincavage, Heather; Abou-Donia, Mohamed

2004-01-01

Depleted uranium (DU) is a by-product from the chemical enrichment of naturally occurring uranium. Natural uranium is comprised of three radioactive isotopes: (238)U, (235)U, and (234)U. This enrichment process reduces the radioactivity of DU to roughly 30% of that of natural uranium. Nonmilitary uses of DU include counterweights in airplanes, shields against radiation in medical radiotherapy units and transport of radioactive isotopes. DU has also been used during wartime in heavy tank armor, armor-piercing bullets, and missiles, due to its desirable chemical properties coupled with its decreased radioactivity. DU weapons are used unreservedly by the armed forces. Chemically and toxicologically, DU behaves similarly to natural uranium metal. Although the effects of DU on human health are not easily discerned, they may be produced by both its chemical and radiological properties. DU can be toxic to many bodily systems, as presented in this review. Most importantly, normal functioning of the kidney, brain, liver, and heart can be affected by DU exposure. Numerous other systems can also be affected by DU exposure, and these are also reviewed. Despite the prevalence of DU usage in many applications, limited data exist regarding the toxicological consequences on human health. This review focuses on the chemistry, pharmacokinetics, and toxicological effects of depleted and natural uranium on several systems in the mammalian body. A section on risk assessment concludes the review.

Corrective Jaw Surgery

Medline Plus

Full Text Available ... and Craniofacial Surgery Cleft Lip/Palate and Craniofacial Surgery A cleft lip may require one or more ... find out more. Corrective Jaw Surgery Corrective Jaw Surgery Orthognathic surgery is performed to correct the misalignment ...

Corrective Action Investigation Plan for Corrective Action Unit 414: Clean Slate III Plutonium Dispersion (TTR) Tonopah Test Range, Nevada, Revision 1

International Nuclear Information System (INIS)

Matthews, Patrick

2016-01-01

Corrective Action Unit (CAU) 414 is located on the Tonopah Test Range, which is approximately 130 miles northwest of Las Vegas, Nevada, and approximately 40 miles southeast of Tonopah, Nevada. The CAU 414 site consists of the release of radionuclides to the surface and shallow subsurface from the conduct of the Clean Slate III (CSIII) storage transportation test conducted on June 9, 1963. CAU 414 includes one corrective action site (CAS), TA-23-03CS (Pu Contaminated Soil). The known releases at CAU 414 are the result of the atmospheric dispersal of contamination from the 1963 CSIII test. The CSIII test was a nonnuclear detonation of a nuclear device located inside a reinforced concrete bunker covered with 8 feet of soil. This test dispersed radionuclides, primarily uranium and plutonium, on the ground surface. The presence and nature of contamination at CAU 414 will be evaluated based on information collected from a corrective action investigation (CAI). The investigation is based on the data quality objectives (DQOs) developed on June 7, 2016, by representatives of the Nevada Division of Environmental Protection; the U.S. Air Force; and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective action alternatives for CAU 414.

Corrective Action Investigation Plan for Corrective Action Unit 414: Clean Slate III Plutonium Dispersion (TTR) Tonopah Test Range, Nevada, Revision 1

Energy Technology Data Exchange (ETDEWEB)

Matthews, Patrick [Navarro, Las Vegas, NV (United States)

2016-09-01

Corrective Action Unit (CAU) 414 is located on the Tonopah Test Range, which is approximately 130 miles northwest of Las Vegas, Nevada, and approximately 40 miles southeast of Tonopah, Nevada. The CAU 414 site consists of the release of radionuclides to the surface and shallow subsurface from the conduct of the Clean Slate III (CSIII) storage–transportation test conducted on June 9, 1963. CAU 414 includes one corrective action site (CAS), TA-23-03CS (Pu Contaminated Soil). The known releases at CAU 414 are the result of the atmospheric dispersal of contamination from the 1963 CSIII test. The CSIII test was a nonnuclear detonation of a nuclear device located inside a reinforced concrete bunker covered with 8 feet of soil. This test dispersed radionuclides, primarily uranium and plutonium, on the ground surface. The presence and nature of contamination at CAU 414 will be evaluated based on information collected from a corrective action investigation (CAI). The investigation is based on the data quality objectives (DQOs) developed on June 7, 2016, by representatives of the Nevada Division of Environmental Protection; the U.S. Air Force; and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective action alternatives for CAU 414.

Chemical Mechanism Solvers in Air Quality Models

Directory of Open Access Journals (Sweden)

John C. Linford

2011-09-01

Full Text Available The solution of chemical kinetics is one of the most computationally intensivetasks in atmospheric chemical transport simulations. Due to the stiff nature of the system,implicit time stepping algorithms which repeatedly solve linear systems of equations arenecessary. This paper reviews the issues and challenges associated with the construction ofefficient chemical solvers, discusses several families of algorithms, presents strategies forincreasing computational efficiency, and gives insight into implementing chemical solverson accelerated computer architectures.

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.;

Empirical method for matrix effects correction in liquid samples

International Nuclear Information System (INIS)

Vigoda de Leyt, Dora; Vazquez, Cristina

1987-01-01

A simple method for the determination of Cr, Ni and Mo in stainless steels is presented. In order to minimize the matrix effects, the conditions of liquid system to dissolve stainless steels chips has been developed. Pure element solutions were used as standards. Preparation of synthetic solutions with all the elements of steel and also mathematic corrections are avoided. It results in a simple chemical operation which simplifies the method of analysis. The variance analysis of the results obtained with steel samples show that the three elements may be determined from the comparison with the analytical curves obtained with the pure elements if the same parameters in the calibration curves are used. The accuracy and the precision were checked against other techniques using the British Chemical Standards of the Bureau of Anlysed Samples Ltd. (England). (M.E.L.) [es

Assessment of Chemical and Radiological Vulnerabilities

International Nuclear Information System (INIS)

SETH, S.S.

2000-01-01

Following the May 14, 1997 chemical explosion at Hanford's Plutonium Reclamation Facility, the Department of Energy Richland Operations Office and its prime contractor, Fluor Hanford, Inc., completed an extensive assessment to identify and address chemical and radiological safety vulnerabilities at all facilities under the Project Hanford Management Contract. This was a challenging undertaking because of the immense size of the problem, unique technical issues, and competing priorities. This paper focuses on the assessment process, including the criteria and methodology for data collection, evaluation, and risk-based scoring. It does not provide details on the facility-specific results and corrective actions, but discusses the approach taken to address the identified vulnerabilities

Corrective Action Investigation Plan for Corrective Action Unit 567: Miscellaneous Soil Sites, Nevada National Security Site, Nevada, with ROTC 1 Revision 0

Energy Technology Data Exchange (ETDEWEB)

Matthews, Patrick K.

2013-07-01

Corrective Action Unit (CAU) 567 is located in Areas 1, 3, 5, 20, and 25 of the Nevada National Security Site, which is approximately 65 miles northwest of Las Vegas, Nevada. CAU 567 is a grouping of sites where there has been a suspected release of contamination associated with nuclear testing. This document describes the planned investigation of CAU 567, which comprises the following corrective action sites (CASs): • 01-23-03, Atmospheric Test Site T-1 • 03-23-25, Seaweed E Contamination Area • 05-23-07, A5b RMA • 20-23-08, Colby Mud Spill • 25-23-23, J-11 Soil RMA These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the investigation report. The sites will be investigated based on the data quality objectives (DQOs) developed on May 6, 2013, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Field Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 567. The site investigation process will also be conducted in accordance with the Soils Activity Quality Assurance Plan, which establishes requirements, technical planning, and general quality practices to be applied to this activity. The potential contamination sources associated with CAU 567 releases are nuclear test operations and other NNSS operations. The DQO process resulted in an assumption that total effective dose (TED) within a default contamination boundary

Teaching and Learning in Chemical Product Engineering - an Evolving par of the Chemical Engineering Curriculum

DEFF Research Database (Denmark)

Vigild, Martin Etchells; Kiil, Søren; Wesselingh, Johannes

2007-01-01

Over the last decade Chemical Product Engineering has evolved as part of the Chemical Engineering Curriculum at several universities in Europe and America. At the DTU Chemical Product Engineering was introduced in 2000. This presentation will report on the experiences gained from teaching classes...... and preparing a text book on the subject. [1] Chemical Product Engineering is solidly based on chemical technical and engineering knowledge. Furthermore, the subject naturally calls for a holistic approach to teaching and learning and introduces elements which target transferable and professional engineering...... skills. Such skills are important in Chemical Product Engineering when dealing with open-ended problems, creative problem solutions, operating in a team working environment and exercising project management. In our course we emphasise team activites, formative feed back to the students as well as helping...

Enhancement of chemical entity identification in text using semantic similarity validation.

Directory of Open Access Journals (Sweden)

Tiago Grego

Full Text Available With the amount of chemical data being produced and reported in the literature growing at a fast pace, it is increasingly important to efficiently retrieve this information. To tackle this issue text mining tools have been applied, but despite their good performance they still provide many errors that we believe can be filtered by using semantic similarity. Thus, this paper proposes a novel method that receives the results of chemical entity identification systems, such as Whatizit, and exploits the semantic relationships in ChEBI to measure the similarity between the entities found in the text. The method assigns a single validation score to each entity based on its similarities with the other entities also identified in the text. Then, by using a given threshold, the method selects a set of validated entities and a set of outlier entities. We evaluated our method using the results of two state-of-the-art chemical entity identification tools, three semantic similarity measures and two text window sizes. The method was able to increase precision without filtering a significant number of correctly identified entities. This means that the method can effectively discriminate the correctly identified chemical entities, while discarding a significant number of identification errors. For example, selecting a validation set with 75% of all identified entities, we were able to increase the precision by 28% for one of the chemical entity identification tools (Whatizit, maintaining in that subset 97% the correctly identified entities. Our method can be directly used as an add-on by any state-of-the-art entity identification tool that provides mappings to a database, in order to improve their results. The proposed method is included in a freely accessible web tool at www.lasige.di.fc.ul.pt/webtools/ice/.

Atomic resolution chemical bond analysis of oxygen in La2CuO4

Science.gov (United States)

Haruta, M.; Nagai, T.; Lugg, N. R.; Neish, M. J.; Nagao, M.; Kurashima, K.; Allen, L. J.; Mizoguchi, T.; Kimoto, K.

2013-08-01

The distorted CuO6 octahedron in La2CuO4 was studied using aberration-corrected scanning transmission electron microscopy at atomic resolution. The near-edge structure in the oxygen K-edge electron energy-loss spectrum was recorded as a function of the position of the electron probe. After background subtraction, the measured spectrum image was processed using a recently developed inversion process to remove the mixing of signals on the atomic columns due to elastic and thermal scattering. The spectra were then compared with first-principles band structure calculations based on the local-density approximation plus on-site Coulomb repulsion (LDA + U) approach. In this article, we describe in detail not only anisotropic chemical bonding of the oxygen 2p state with the Cu 3d state but also with the Cu 4p and La 5d/4f states. Furthermore, it was found that buckling of the CuO2 plane was also detectable at the atomic resolution oxygen K-edge. Lastly, it was found that the effects of core-hole in the O K-edge were strongly dependent on the nature of the local chemical bonding, in particular, whether it is ionic or covalent.

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...

Stereochemistry of Complex Marine Natural Products by Quantum Mechanical Calculations of NMR Chemical Shifts: Solvent and Conformational Effects on Okadaic Acid

Directory of Open Access Journals (Sweden)

Humberto J. Domínguez

2014-01-01

Full Text Available Marine organisms are an increasingly important source of novel metabolites, some of which have already inspired or become new drugs. In addition, many of these molecules show a high degree of novelty from a structural and/or pharmacological point of view. Structure determination is generally achieved by the use of a variety of spectroscopic methods, among which NMR (nuclear magnetic resonance plays a major role and determination of the stereochemical relationships within every new molecule is generally the most challenging part in structural determination. In this communication, we have chosen okadaic acid as a model compound to perform a computational chemistry study to predict 1H and 13C NMR chemical shifts. The effect of two different solvents and conformation on the ability of DFT (density functional theory calculations to predict the correct stereoisomer has been studied.

Chemical warfare agents identification by thermal neutron detection

International Nuclear Information System (INIS)

Liu Boxue; Ai Xianyun; Tan Daoyuan; Zhang Dianqin

2000-01-01

The hydrogen concentration determination by thermal neutron detection is a non-destructive, fast and effective method to identify chemical warfare agents and TNT that contain different hydrogen fraction. When an isotropic neutron source is used to irradiate chemical ammunition, hydrogen atoms of the agent inside shell act as a moderator and slow down neutrons. The number of induced thermal neutrons depends mainly upon hydrogen content of the agent. Therefore measurement of thermal neutron influence can be used to determine hydrogen atom concentration, thereby to determine the chemical warfare agents. Under a certain geometry three calibration curves of count rate against hydrogen concentration were measured. According to the calibration curves, response of a chemical agent or TNT could be calculated. Differences of count rate among chemical agents and TNT for each kind of shells is greater than five times of standard deviations of count rate for any agent, so chemical agents or TNT could be identified correctly. Meanwhile, blast tube or liquid level of chemical warfare agent could affect the response of thermal neutron count rate, and thereby the result of identification. (author)

Chemical and structural characterization of natural phosphate of ...

African Journals Online (AJOL)

Powder X-ray diffraction fitting results confirm that compound belongs to the apatite family crystallising in the hexagonal system, space group P63/m. The cell parameters are: a = 9.3547(5) Å; c = 6.8929(4) Å. KEY WORDS: Natural phosphate, Fluoroapatite, Infrared, X-Ray diffraction, Rietveld structure refinement. Bull. Chem ...

Conservative multi-implicit integral deferred correction methods with adaptive mesh refinement

International Nuclear Information System (INIS)

Layton, A.T.

2004-01-01

In most models of reacting gas dynamics, the characteristic time scales of chemical reactions are much shorter than the hydrodynamic and diffusive time scales, rendering the reaction part of the model equations stiff. Moreover, nonlinear forcings may introduce into the solutions sharp gradients or shocks, the robust behavior and correct propagation of which require the use of specialized spatial discretization procedures. This study presents high-order conservative methods for the temporal integration of model equations of reacting flows. By means of a method of lines discretization on the flux difference form of the equations, these methods compute approximations to the cell-averaged or finite-volume solution. The temporal discretization is based on a multi-implicit generalization of integral deferred correction methods. The advection term is integrated explicitly, and the diffusion and reaction terms are treated implicitly but independently, with the splitting errors present in traditional operator splitting methods reduced via the integral deferred correction procedure. To reduce computational cost, time steps used to integrate processes with widely-differing time scales may differ in size. (author)

Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)

KAUST Repository

Guo, Yang

2018-01-04

In this communication, an improved perturbative triples correction (T) algorithm for domain based local pair-natural orbital singles and doubles coupled cluster (DLPNO-CCSD) theory is reported. In our previous implementation, the semi-canonical approximation was used and linear scaling was achieved for both the DLPNO-CCSD and (T) parts of the calculation. In this work, we refer to this previous method as DLPNO-CCSD(T0) to emphasize the semi-canonical approximation. It is well-established that the DLPNO-CCSD method can predict very accurate absolute and relative energies with respect to the parent canonical CCSD method. However, the (T0) approximation may introduce significant errors in absolute energies as the triples correction grows up in magnitude. In the majority of cases, the relative energies from (T0) are as accurate as the canonical (T) results of themselves. Unfortunately, in rare cases and in particular for small gap systems, the (T0) approximation breaks down and relative energies show large deviations from the parent canonical CCSD(T) results. To address this problem, an iterative (T) algorithm based on the previous DLPNO-CCSD(T0) algorithm has been implemented [abbreviated here as DLPNO-CCSD(T)]. Using triples natural orbitals to represent the virtual spaces for triples amplitudes, storage bottlenecks are avoided. Various carefully designed approximations ease the computational burden such that overall, the increase in the DLPNO-(T) calculation time over DLPNO-(T0) only amounts to a factor of about two (depending on the basis set). Benchmark calculations for the GMTKN30 database show that compared to DLPNO-CCSD(T0), the errors in absolute energies are greatly reduced and relative energies are moderately improved. The particularly problematic case of cumulene chains of increasing lengths is also successfully addressed by DLPNO-CCSD(T).

Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)

KAUST Repository

Guo, Yang; Riplinger, Christoph; Becker, Ute; Liakos, Dimitrios G.; Minenkov, Yury; Cavallo, Luigi; Neese, Frank

2018-01-01

In this communication, an improved perturbative triples correction (T) algorithm for domain based local pair-natural orbital singles and doubles coupled cluster (DLPNO-CCSD) theory is reported. In our previous implementation, the semi-canonical approximation was used and linear scaling was achieved for both the DLPNO-CCSD and (T) parts of the calculation. In this work, we refer to this previous method as DLPNO-CCSD(T0) to emphasize the semi-canonical approximation. It is well-established that the DLPNO-CCSD method can predict very accurate absolute and relative energies with respect to the parent canonical CCSD method. However, the (T0) approximation may introduce significant errors in absolute energies as the triples correction grows up in magnitude. In the majority of cases, the relative energies from (T0) are as accurate as the canonical (T) results of themselves. Unfortunately, in rare cases and in particular for small gap systems, the (T0) approximation breaks down and relative energies show large deviations from the parent canonical CCSD(T) results. To address this problem, an iterative (T) algorithm based on the previous DLPNO-CCSD(T0) algorithm has been implemented [abbreviated here as DLPNO-CCSD(T)]. Using triples natural orbitals to represent the virtual spaces for triples amplitudes, storage bottlenecks are avoided. Various carefully designed approximations ease the computational burden such that overall, the increase in the DLPNO-(T) calculation time over DLPNO-(T0) only amounts to a factor of about two (depending on the basis set). Benchmark calculations for the GMTKN30 database show that compared to DLPNO-CCSD(T0), the errors in absolute energies are greatly reduced and relative energies are moderately improved. The particularly problematic case of cumulene chains of increasing lengths is also successfully addressed by DLPNO-CCSD(T).

Soils Project Risk-Based Corrective Action Evaluation Process with ROTC 1 and ROTC 2, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Matthews, Patrick; Sloop, Christina

2012-04-01

This document formally defines and clarifies the NDEP-approved process the NNSA/NSO Soils Activity uses to fulfill the requirements of the FFACO and state regulations. This process is used to establish FALs in accordance with the risk-based corrective action (RBCA) process stipulated in Chapter 445 of the Nevada Administrative Code (NAC) as described in the ASTM International (ASTM) Method E1739-95 (NAC, 2008; ASTM, 1995). It is designed to provide a set of consistent standards for chemical and radiological corrective actions.

Changes in properties of DNA caused by gamma and ultraviolet radiation. Dependence of conformational changes on the chemical nature of the damage

Energy Technology Data Exchange (ETDEWEB)

Vorlickova, M; Palacek, E [Ceskoslovenska Akademie Ved, Brno. Biofysikalni Ustav

1978-02-16

Changes in the pulse-polarographic behaviour and circular dichroism spectra of DNA were investigated after gamma and ultraviolet irradiations and after degradation by DNAase I. It was found that moderate doses of radiation cause local conformational changes in the double helix which are dependent on the chemical nature of the damage. Only the accumulation of structural changes after high doses of the radiations or after extensive enzymic treatment may cause formation of single-standed regions in DNA.

Evaluating Greenland glacial isostatic adjustment corrections using GRACE, altimetry and surface mass balance data

International Nuclear Information System (INIS)

Sutterley, Tyler C; Velicogna, Isabella; Csatho, Beata; Rezvan-Behbahani, Soroush; Babonis, Greg; Van den Broeke, Michiel

2014-01-01

Glacial isostatic adjustment (GIA) represents a source of uncertainty for ice sheet mass balance estimates from the Gravity Recovery and Climate Experiment (GRACE) time-variable gravity measurements. We evaluate Greenland GIA corrections from Simpson et al (2009 Quat. Sci. Rev. 28 1631–57), A et al (2013 Geophys. J. Int. 192 557–72) and Wu et al (2010 Nature Geosci. 3 642–6) by comparing the spatial patterns of GRACE-derived ice mass trends calculated using the three corrections with volume changes from ICESat (Ice, Cloud, and land Elevation Satellite) and OIB (Operation IceBridge) altimetry missions, and surface mass balance products from the Regional Atmospheric Climate Model (RACMO). During the period September 2003–August 2011, GRACE ice mass changes obtained using the Simpson et al (2009 Quat. Sci. Rev. 28 1631–57) and A et al (2013 Geophys. J. Int. 192 557–72) GIA corrections yield similar spatial patterns and amplitudes, and are consistent with altimetry observations and surface mass balance data. The two GRACE estimates agree within 2% on average over the entire ice sheet, and better than 15% in four subdivisions of Greenland. The third GRACE estimate corrected using the (Wu et al 2010 Nature Geosci. 3 642–6)) GIA shows similar spatial patterns, but produces an average ice mass loss for the entire ice sheet that is 64 − 67 Gt yr −1 smaller. In the Northeast the recovered ice mass change is 46–49 Gt yr −1 (245–270%) more positive than that deduced from the other two corrections. By comparing the spatial and temporal variability of the GRACE estimates with trends of volume changes from altimetry and surface mass balance from RACMO, we show that the Wu et al (2010 Nature Geosci. 3 642–6) correction leads to a large mass increase in the Northeast that is inconsistent with independent observations. (paper)

Atomic weights: no longer constants of nature

Science.gov (United States)

Coplen, Tyler B.; Holden, Norman E.

2011-01-01

Many of us were taught that the standard atomic weights we found in the back of our chemistry textbooks or on the Periodic Table of the Chemical Elements hanging on the wall of our chemistry classroom are constants of nature. This was common knowledge for more than a century and a half, but not anymore. The following text explains how advances in chemical instrumentation and isotopic analysis have changed the way we view atomic weights and why they are no longer constants of nature

DNA damage, acetylcholinesterase activity and lysosomal stability in native and transplanted mussels (Mytilus edulis) in areas close to coastal chemical dumping sites in Denmark

DEFF Research Database (Denmark)

Rank, J.; Lehtonen, K. K.; Strand, J.

2007-01-01

of chemical pollution complex, as seen especially in the variability in results on DNA damage, and also in regard to AChE activity. These investigations further stress the importance of understanding the effects of natural factors (salinity, temperature, water levels, rain and storm events) in correct......Biomarkers of genotoxicity (DNA damage, measured as tail moment in the Comet assay), neurotoxicity (acetylcholinesterase inhibition, AChE) and general stress (lysosomal membrane stability, LMS) were studied in native and transplanted blue mussels (Mytilus edulis) in coastal areas of western Denmark...... potentially affected by anthropogenic pollution originating from chemical dumping sites. The results indicate responses to pollution in all the biomarkers applied at the suspected areas, but the results were not consistent. Seasonal fluctuations in exposure situations at the study sites make interpretation...

Exploiting the Complementarity between Dereplication and Computer-Assisted Structure Elucidation for the Chemical Profiling of Natural Cosmetic Ingredients: Tephrosia purpurea as a Case Study.

Science.gov (United States)

Hubert, Jane; Chollet, Sébastien; Purson, Sylvain; Reynaud, Romain; Harakat, Dominique; Martinez, Agathe; Nuzillard, Jean-Marc; Renault, Jean-Hugues

2015-07-24

The aqueous-ethanolic extract of Tephrosia purpurea seeds is currently exploited in the cosmetic industry as a natural ingredient of skin lotions. The aim of this study was to chemically characterize this ingredient by combining centrifugal partition extraction (CPE) as a fractionation tool with two complementary identification approaches involving dereplication and computer-assisted structure elucidation. Following two rapid fractionations of the crude extract (2 g), seven major compounds namely, caffeic acid, quercetin-3-O-rutinoside, ethyl galactoside, ciceritol, stachyose, saccharose, and citric acid, were unambiguously identified within the CPE-generated simplified mixtures by a recently developed (13)C NMR-based dereplication method. The structures of four additional compounds, patuletin-3-O-rutinoside, kaempferol-3-O-rutinoside, guaiacylglycerol 8-vanillic acid ether, and 2-methyl-2-glucopyranosyloxypropanoic acid, were automatically elucidated by using the Logic for Structure Determination program based on the interpretation of 2D NMR (HSQC, HMBC, and COSY) connectivity data. As more than 80% of the crude extract mass was characterized without need for tedious and labor-intensive multistep purification procedures, the identification tools involved in this work constitute a promising strategy for an efficient and time-saving chemical profiling of natural extracts.

Natural and laboratory TT-OSL dose response curves: Testing the lifetime of the TT-OSL signal in nature

International Nuclear Information System (INIS)

Chapot, M.S.; Roberts, H.M.; Duller, G.A.T.; Lai, Z.P.

2016-01-01

This study compares natural and laboratory generated thermally transferred optically stimulated luminescence (TT-OSL) dose response curves (DRCs) for fine-grain quartz extracts from the Luochuan loess section in central China. Both DRCs saturate at high doses relative to the quartz OSL signal; the natural TT-OSL DRC saturates at about 2200 Gy and laboratory DRCs saturate at about 2700 Gy. However, the natural and laboratory TT-OSL DRCs deviate from one another at circa 150 Gy resulting in TT-OSL equivalent dose underestimation relative to palaeodoses expected from dose rates and independent age control. The lifetime of the TT-OSL signal at 10 °C, calculated from values of trap parameters E and s, is compared against the value for lifetime of the TT-OSL signal in nature at average burial temperature as determined from the age underestimation caused by deviation of the natural and laboratory generated DRCs. These two independent assessments of TT-OSL signal lifetime at Luochuan give similar values, suggesting that laboratory measurements of thermal stability reflect natural burial lifetimes and can potentially be used to correct TT-OSL ages for the difference between natural and laboratory dose response curves. - Highlights: • Natural and laboratory TT-OSL DRCs deviate at ∼150 Gy but saturate at higher doses. • TT-OSL signal lifetime at 10 °C calculated from measured E and s values is ∼180 ka. • TT-OSL signal lifetime at Luochuan estimated from the DRCs' deviation is ∼175 ka. • Natural and laboratory TT-OSL DRC deviation may be caused by low thermal stability. • Laboratory measurements of signal lifetime may be able to correct old TT-OSL ages.

Chromatic aberration correction: an enhancement to the calibration of low-cost digital dermoscopes.

Science.gov (United States)

Wighton, Paul; Lee, Tim K; Lui, Harvey; McLean, David; Atkins, M Stella

2011-08-01

We present a method for calibrating low-cost digital dermoscopes that corrects for color and inconsistent lighting and also corrects for chromatic aberration. Chromatic aberration is a form of radial distortion that often occurs in inexpensive digital dermoscopes and creates red and blue halo-like effects on edges. Being radial in nature, distortions due to chromatic aberration are not constant across the image, but rather vary in both magnitude and direction. As a result, distortions are not only visually distracting but could also mislead automated characterization techniques. Two low-cost dermoscopes, based on different consumer-grade cameras, were tested. Color is corrected by imaging a reference and applying singular value decomposition to determine the transformation required to ensure accurate color reproduction. Lighting is corrected by imaging a uniform surface and creating lighting correction maps. Chromatic aberration is corrected using a second-order radial distortion model. Our results for color and lighting calibration are consistent with previously published results, while distortions due to chromatic aberration can be reduced by 42-47% in the two systems considered. The disadvantages of inexpensive dermoscopy can be quickly substantially mitigated with a suitable calibration procedure. © 2011 John Wiley & Sons A/S.

A sun-crown-sensor model and adapted C-correction logic for topographic correction of high resolution forest imagery

Science.gov (United States)

Fan, Yuanchao; Koukal, Tatjana; Weisberg, Peter J.

2014-10-01

Canopy shadowing mediated by topography is an important source of radiometric distortion on remote sensing images of rugged terrain. Topographic correction based on the sun-canopy-sensor (SCS) model significantly improved over those based on the sun-terrain-sensor (STS) model for surfaces with high forest canopy cover, because the SCS model considers and preserves the geotropic nature of trees. The SCS model accounts for sub-pixel canopy shadowing effects and normalizes the sunlit canopy area within a pixel. However, it does not account for mutual shadowing between neighboring pixels. Pixel-to-pixel shadowing is especially apparent for fine resolution satellite images in which individual tree crowns are resolved. This paper proposes a new topographic correction model: the sun-crown-sensor (SCnS) model based on high-resolution satellite imagery (IKONOS) and high-precision LiDAR digital elevation model. An improvement on the C-correction logic with a radiance partitioning method to address the effects of diffuse irradiance is also introduced (SCnS + C). In addition, we incorporate a weighting variable, based on pixel shadow fraction, on the direct and diffuse radiance portions to enhance the retrieval of at-sensor radiance and reflectance of highly shadowed tree pixels and form another variety of SCnS model (SCnS + W). Model evaluation with IKONOS test data showed that the new SCnS model outperformed the STS and SCS models in quantifying the correlation between terrain-regulated illumination factor and at-sensor radiance. Our adapted C-correction logic based on the sun-crown-sensor geometry and radiance partitioning better represented the general additive effects of diffuse radiation than C parameters derived from the STS or SCS models. The weighting factor Wt also significantly enhanced correction results by reducing within-class standard deviation and balancing the mean pixel radiance between sunlit and shaded slopes. We analyzed these improvements with model

Effect of the chemical treatments on the characteristics of natural cellulose

International Nuclear Information System (INIS)

Sosiati, H.; Muhaimin, M.; Abdilah, P.; Wijayanti, D. A.; Harsojo; Triyana, K.

2014-01-01

In order to characterize the morphology and size distribution of the cellulose fibers, natural cellulose from kenaf bast fibers was extracted using two chemical treatments; (1) alkali-bleaching-ultrasonic treatment and (2) alkali-bleaching-hydrolysis. Solutions of NaOH, H 2 O 2 and H 2 SO 4 were used for alkalization, bleaching and hydrolysis, respectively. The hydrolyzed fibers were centrifuged at a rotation speed of 10000 rpm for 10 min to separate the nanofibers from the microfibers. The separation was repeated in 7 steps by controlling pH of the solution in each step until neutrality was reached. Fourier transform infrared (FTIR) spectroscopy was performed on the fibers at the final step of each treatment: i.e. either ultrasonic treated- or hydrolyzed microfibers. Their FTIR spectra were compared with FTIR spectrum of a reference commercial α-cellulose. Changes in morphology and size distribution of the treated fibers were examined by scanning electron microscopy (SEM). FTIR spectra of ultrasonic treated- and hydrolyzed microfibers nearly coincided with the FTIR spectrum of commercial α-cellulose, suggesting successful extraction of cellulose. Ultrasonic treatment for 6 h resulted in a specific morphology in which cellulose nanofibers (≥100 nm) were distributed across the entire surface of cellulose microfibers (∼5 μm). Constant magnetic stirring combined with acid hydrolysis resulted in an inhomogeneous size distribution of both cellulose rods (500 nm-3 μm length, 100–200 nm diameter) and particles 100–200 nm in size. Changes in morphology of the cellulose fibers depended upon the stirring time; longer stirring time resulted in shorter fiber lengths

Effect of the chemical treatments on the characteristics of natural cellulose

Energy Technology Data Exchange (ETDEWEB)

Sosiati, H., E-mail: hsosiati@ugm.ac.id [Nanomaterials Research Group, Integrated Research and Testing Laboratory (LPPT), Gadjah Mada University, Yogyakarta 55281 (Indonesia); Muhaimin, M.; Abdilah, P.; Wijayanti, D. A. [Department of Physics, Faculty of Mathematics and Natural of Sciences, Gadjah Mada University, Yogyakarta 55281 (Indonesia); Harsojo; Triyana, K. [Nanomaterials Research Group, Integrated Research and Testing Laboratory (LPPT), Gadjah Mada University, Yogyakarta 55281, Indonesia and Department of Physics, Faculty of Mathematics and Natural of Sciences, Gadjah Mada University, Yogyakarta 55281 (Indonesia)

2014-09-25

In order to characterize the morphology and size distribution of the cellulose fibers, natural cellulose from kenaf bast fibers was extracted using two chemical treatments; (1) alkali-bleaching-ultrasonic treatment and (2) alkali-bleaching-hydrolysis. Solutions of NaOH, H{sub 2}O{sub 2} and H{sub 2}SO{sub 4} were used for alkalization, bleaching and hydrolysis, respectively. The hydrolyzed fibers were centrifuged at a rotation speed of 10000 rpm for 10 min to separate the nanofibers from the microfibers. The separation was repeated in 7 steps by controlling pH of the solution in each step until neutrality was reached. Fourier transform infrared (FTIR) spectroscopy was performed on the fibers at the final step of each treatment: i.e. either ultrasonic treated- or hydrolyzed microfibers. Their FTIR spectra were compared with FTIR spectrum of a reference commercial α-cellulose. Changes in morphology and size distribution of the treated fibers were examined by scanning electron microscopy (SEM). FTIR spectra of ultrasonic treated- and hydrolyzed microfibers nearly coincided with the FTIR spectrum of commercial α-cellulose, suggesting successful extraction of cellulose. Ultrasonic treatment for 6 h resulted in a specific morphology in which cellulose nanofibers (≥100 nm) were distributed across the entire surface of cellulose microfibers (∼5 μm). Constant magnetic stirring combined with acid hydrolysis resulted in an inhomogeneous size distribution of both cellulose rods (500 nm-3 μm length, 100–200 nm diameter) and particles 100–200 nm in size. Changes in morphology of the cellulose fibers depended upon the stirring time; longer stirring time resulted in shorter fiber lengths.

Proton radius, Darwin-Foldy term and radiative corrections

International Nuclear Information System (INIS)

Jentschura, U.D.

2011-01-01

We discuss the role of the so-called Darwin-Foldy term in the evaluation of the proton and deuteron charge radii from atomic hydrogen spectroscopy and nuclear scattering data. The question of whether this term should be included or excluded from the nuclear radius has been controversially discussed in the literature. We attempt to clarify which literature values correspond to which conventions. A detailed discussion of the conventions appears useful because a recent experiment [R. Pohl et al., Nature 466, 213 (2010)] has indicated that there is a discrepancy between the proton charge radii inferred from ordinary ('electronic') atomic hydrogen and muonic hydrogen. We also investigate the role of quantum electrodynamic radiative corrections in the determination of nuclear radii from scattering data, and propose a definition of the nuclear self energy which is compatible with the subtraction of the radiative corrections in scattering experiments. (author)

Metabolomics in chemical ecology.

Science.gov (United States)

Kuhlisch, Constanze; Pohnert, Georg

2015-07-01

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

Effect of correction of aberration dynamics on chaos in human ocular accommodation.

Science.gov (United States)

Hampson, Karen M; Cufflin, Matthew P; Mallen, Edward A H

2013-11-15

We used adaptive optics to determine the effect of monochromatic aberration dynamics on the level of chaos in the accommodation control system. Four participants viewed a stationary target while the dynamics of their aberrations were either left uncorrected, defocus was corrected, or all aberrations except defocus were corrected. Chaos theory analysis was used to discern changes in the accommodative microfluctuations. We found a statistically significant reduction in the chaotic nature of the accommodation microfluctuations during correction of defocus, but not when all aberrations except defocus were corrected. The Lyapunov exponent decreased from 0.71 ± 0.07 D/s (baseline) to 0.55 ± 0.03 D/s (correction of defocus fluctuations). As the reduction of chaos in physiological signals is indicative of stress to the system, the results indicate that for the participants included in this study, fluctuations in defocus have a more profound effect than those of the other aberrations. There were no changes in the power spectrum between experimental conditions. Hence chaos theory analysis is a more subtle marker of changes in the accommodation control system and will be of value in the study of myopia onset and progression.

Corrective Action Investigation Plan for Corrective Action Unit 104: Area 7 Yucca Flat Atmospheric Test Sites, Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Patrick Matthews

2011-08-01

CAU 104 comprises the 15 CASs listed below: (1) 07-23-03, Atmospheric Test Site T-7C; (2) 07-23-04, Atmospheric Test Site T7-1; (3) 07-23-05, Atmospheric Test Site; (4) 07-23-06, Atmospheric Test Site T7-5a; (5) 07-23-07, Atmospheric Test Site - Dog (T-S); (6) 07-23-08, Atmospheric Test Site - Baker (T-S); (7) 07-23-09, Atmospheric Test Site - Charlie (T-S); (8) 07-23-10, Atmospheric Test Site - Dixie; (9) 07-23-11, Atmospheric Test Site - Dixie; (10) 07-23-12, Atmospheric Test Site - Charlie (Bus); (11) 07-23-13, Atmospheric Test Site - Baker (Buster); (12) 07-23-14, Atmospheric Test Site - Ruth; (13) 07-23-15, Atmospheric Test Site T7-4; (14) 07-23-16, Atmospheric Test Site B7-b; (15) 07-23-17, Atmospheric Test Site - Climax These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). Additional information will be obtained by conducting a corrective action investigation before evaluating CAAs and selecting the appropriate corrective action for each CAS. The results of the field investigation will support a defensible evaluation of viable CAAs that will be presented in the Corrective Action Decision Document. The sites will be investigated based on the data quality objectives (DQOs) developed on April 28, 2011, by representatives of the Nevada Division of Environmental Protection and the U.S. Department of Energy (DOE), National Nuclear Security Administration Nevada Site Office. The DQO process was used to identify and define the type, amount, and quality of data needed to develop and evaluate appropriate corrective actions for CAU 104. The releases at CAU 104 consist of surface-deposited radionuclides from 30 atmospheric nuclear tests. The presence and nature of contamination at CAU 104 will be evaluated based on information collected from a field investigation. Radiological contamination will be evaluated based on a comparison

A Natural Analogue for Thermal-Hydrological-Chemical Coupled Processes at the Proposed Nuclear Waste Repository at Yucca Mountain, Nevada

International Nuclear Information System (INIS)

Bill Carey; Gordon Keating; Peter C. Lichtner

1999-01-01

Dike and sill complexes that intruded tuffaceous host rocks above the water table are suggested as natural analogues for thermal-hydrologic-chemical (THC) processes at the proposed nuclear waste repository at Yucca Mountain, Nevada. Scoping thermal-hydrologic calculations of temperature and saturation profiles surrounding a 30-50 m wide intrusion suggest that boiling conditions could be sustained at distances of tens of meters from the intrusion for several thousand years. This time scale for persistence of boiling is similar to that expected for the Yucca Mountain repository with moderate heat loading. By studying the hydrothermal alteration of the tuff host rocks surrounding the intrusions, insight and relevant data can be obtained that apply directly to the Yucca Mountain repository and can shed light on the extent and type of alteration that should be expected. Such data are needed to bound and constrain model parameters used in THC simulations of the effect of heat produced by the waste on the host rock and to provide a firm foundation for assessing overall repository performance. One example of a possible natural analogue for the repository is the Paiute Ridge intrusive complex located on the northeastern boundary of the Nevada Test Site, Nye County, Nevada. The complex consists of dikes and sills intruded into a partially saturated tuffaceous host rock that has stratigraphic sequences that correlate with those found at Yucca Mountain. The intrusions were emplaced at a depth of several hundred meters below the surface, similar to the depth of the proposed repository. The tuffaceous host rock surrounding the intrusions is hydrothermally altered to varying extents depending on the distance from the intrusions. The Paiute Ridge intrusive complex thus appears to be an ideal natural analogue of THC coupled processes associated with the Yucca Mountain repository. It could provide much needed physical and chemical data for understanding the influence of heat

An Illustration of the Corrective Action Process, The Corrective Action Management Unit at Sandia National Laboratories/New Mexico

International Nuclear Information System (INIS)

Irwin, M.; Kwiecinski, D.

2002-01-01

Corrective Action Management Units (CAMUs) were established by the Environmental Protection Agency (EPA) to streamline the remediation of hazardous waste sites. Streamlining involved providing cost saving measures for the treatment, storage, and safe containment of the wastes. To expedite cleanup and remove disincentives, EPA designed 40 CFR 264 Subpart S to be flexible. At the heart of this flexibility are the provisions for CAMUs and Temporary Units (TUs). CAMUs and TUs were created to remove cleanup disincentives resulting from other Resource Conservation Recovery Act (RCRA) hazardous waste provisions--specifically, RCRA land disposal restrictions (LDRs) and minimum technology requirements (MTRs). Although LDR and MTR provisions were not intended for remediation activities, LDRs and MTRs apply to corrective actions because hazardous wastes are generated. However, management of RCRA hazardous remediation wastes in a CAMU or TU is not subject to these stringent requirements. The CAMU at Sandia National Laboratories in Albuquerque, New Mexico (SNL/NM) was proposed through an interactive process involving the regulators (EPA and the New Mexico Environment Department), DOE, SNL/NM, and stakeholders. The CAMU at SNL/NM has been accepting waste from the nearby Chemical Waste Landfill remediation since January of 1999. During this time, a number of unique techniques have been implemented to save costs, improve health and safety, and provide the best value and management practices. This presentation will take the audience through the corrective action process implemented at the CAMU facility, from the selection of the CAMU site to permitting and construction, waste management, waste treatment, and final waste placement. The presentation will highlight the key advantages that CAMUs and TUs offer in the corrective action process. These advantages include yielding a practical approach to regulatory compliance, expediting efficient remediation and site closure, and realizing

Corrective Action Decision Document (CADD), Area 12 fleet operations steam cleaning discharge area, Nevada Test Site Corrective Action Unit 339

International Nuclear Information System (INIS)

Bonn, J.F.

1996-12-01

This Corrective Action Decision Document (CADD) incorporates the methodology used for evaluating the remedial alternatives completed for a former steam cleaning discharge area at the Nevada Test Site (NTS). The former steam cleaning site is located in Area 12, east of the Fleet Operations Building 12-16. The discharge area has been impacted by Resource Conservation and Recovery Act (RCRA) F Listed volatile organic compounds (VOCs) and petroleum hydrocarbons waste. Based upon these findings, resulting from Phase 1 and Phase 2 site investigations, corrective action is required at the site. To determine the appropriate corrective action to be proposed, an evaluation of remedial alternatives was completed. The evaluation was completed using a Corrective Measures Study (CMS). Based on the results of the CMS, the favored closure alternative for the site is plugging the effluent discharge line, removing the sandbagged barrier, completing excavation of VOC impacted soils, and fencing the soil area impacted by total petroleum hydrocarbons (TPH), east of the discharge line and west of the soil berm. Management of the F Listed VOCs are dictated by RCRA. Due to the small volume of impacted soil, excavation and transportation to a Treatment Storage and Disposal Facility (TSDF) is the most practical method of management. It is anticipated that the TPH (as oil) impacted soils will remain in place based upon; the A through K Analysis, concentrations detected (maximum 8,600 milligrams per kilogram), expected natural degradation of the hydrocarbons over time, and the findings of the Phase 2 Investigation that vertical migration has been minimal

Corrective Action Decision Document (CADD), Area 12 fleet operations steam cleaning discharge area, Nevada Test Site Corrective Action Unit 339

Energy Technology Data Exchange (ETDEWEB)

Bonn, J.F.

1996-12-01

This Corrective Action Decision Document (CADD) incorporates the methodology used for evaluating the remedial alternatives completed for a former steam cleaning discharge area at the Nevada Test Site (NTS). The former steam cleaning site is located in Area 12, east of the Fleet Operations Building 12-16. The discharge area has been impacted by Resource Conservation and Recovery Act (RCRA) F Listed volatile organic compounds (VOCs) and petroleum hydrocarbons waste. Based upon these findings, resulting from Phase 1 and Phase 2 site investigations, corrective action is required at the site. To determine the appropriate corrective action to be proposed, an evaluation of remedial alternatives was completed. The evaluation was completed using a Corrective Measures Study (CMS). Based on the results of the CMS, the favored closure alternative for the site is plugging the effluent discharge line, removing the sandbagged barrier, completing excavation of VOC impacted soils, and fencing the soil area impacted by total petroleum hydrocarbons (TPH), east of the discharge line and west of the soil berm. Management of the F Listed VOCs are dictated by RCRA. Due to the small volume of impacted soil, excavation and transportation to a Treatment Storage and Disposal Facility (TSDF) is the most practical method of management. It is anticipated that the TPH (as oil) impacted soils will remain in place based upon; the A through K Analysis, concentrations detected (maximum 8,600 milligrams per kilogram), expected natural degradation of the hydrocarbons over time, and the findings of the Phase 2 Investigation that vertical migration has been minimal.

Correction of algocenosis by the preparation of komplezim in experimental ponds of fish-farm Nyvka

Directory of Open Access Journals (Sweden)

L. Dragan

2016-01-01

Full Text Available Purpose. To investigate the effect of the bacterial preparation "Komplezim", which is recommended for the prevention of mass reproduction of blue-green algae through algocoenosis correction, water cleaning and sanitary regime restoration, for the biological balance and self-purification of natural and farmed fish ponds of all sizes exposed to artificial or natural pollution. Methodology. The studies were carried out during 30 days in a 0.01 hectare pond with a depth of 1.0–1.5 m. The doses of the bacterial preparation "Komplezim" in the form of a solution were applied over the water surface of the experimental pond. The conventional techniques of hydrochemistry and hydrobiology were used to perform hydroecological studies. Findings. The study results showed that after the exposure of the bacterial preparation "Komplezim", pH level of water and oxidation rates were within the acceptable limits. Permanganate and dichromate oxidation decreased in the same manner in the middle and end of the experiment compared to initial values. Calcium, magnesium, and sulfate levels were lower compared to control values. This effect can be explained by the fact that bacteria from the “Komplezim” composition in aquatic medium started intensive metabolizing the products of organic decomposition enriched in calcium, magnesium and sulfates. The consequence of the application of "Komplezim" was an increase in the concentration of organic chlorides simultaneously with nitrites. The obtained results indicate that bacteria strains included in the “Komplezim” composition inhibit the processes of cyanobacteria reproduction by algocenosis correction and contributes to the optimization of hydrochemical conditions for pond fish rearing. Originality. The effect of the bacterial preparation "Komplezim" on the reproduction of blue-green algae and hydro-chemical composition of the water has been investigated for the first time. Practical value. Application of the

Corrective Action Investigation Plan for Corrective Action Unit 552: Area 12 Muckpile and Ponds, Nevada Test Site, Nevada, Rev. No.: 1 with ROTC 1 and 2

Energy Technology Data Exchange (ETDEWEB)

David A. Strand

2005-01-01

This Corrective Action Investigation Plan (CAIP) contains project-specific information including facility descriptions, environmental sample collection objectives, and criteria for conducting site investigation activities at Corrective Action Unit (CAU) 552: Area 12 Muckpile and Ponds, Nevada Test Site (NTS), Nevada. This CAIP has been developed in accordance with the ''Federal Facility Agreement and Consent Order'' (FFACO) (1996) that was agreed to by the State of Nevada, the U.S. Department of Energy (DOE), and the U.S. Department of Defense. The NTS is approximately 65 miles (mi) northwest of Las Vegas, Nevada (Figure 1-1). Corrective Action Unit 552 is comprised of the one Corrective Action Site which is 12-23-05, Ponds. One additional CAS, 12-06-04, Muckpile (G-Tunnel Muckpile), was removed from this CAU when it was determined that the muckpile is an active site. A modification to the FFACO to remove CAS 12-06-04 was approved by the Nevada Division of Environmental Protection (NDEP) on December 16, 2004. The G-Tunnel ponds were first identified in the 1991 Reynolds Electrical & Engineering Co., Inc. document entitled, ''Nevada Test Site Inventory of Inactive and Abandoned Facilities and Waste Sites'' (REECo, 1991). Corrective Action Unit 552 is being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives. Therefore, additional information will be obtained by conducting a corrective action investigation (CAI) prior to evaluating and selecting the corrective action alternatives for the site. The CAI will include field inspections, radiological surveys, and sampling of appropriate media. Data will also be obtained to support investigation-derived waste (IDW) disposal and potential future waste management decisions.

Measurement of cation exchange capacity (CEC) on natural zeolite by percolation method

Science.gov (United States)

Wiyantoko, Bayu; Rahmah, Nafisa

2017-12-01

The cation exchange capacity (CEC)measurement has been carried out in natural zeolite by percolation method. The natural zeolite samples used for cation exchange capacity measurement were activated beforehand with physical activation and chemical activation. The physically activated zeolite was done by calcination process at 600 °C for 4 hours. The natural zeolite was activated chemically by using sodium hydroxide by refluxing process at 60-80 °C for 3 hours. In summary, cation exchange capacity (CEC) determination was performed by percolation, distillation and titration processes. Based on the measurement that has been done, the exchange rate results from physical activated and chemical activated of natural zeolite were 181.90cmol (+)/kg and 901.49cmol (+)/kg respectively.

Corrective Action Investigation Plan for Corrective Action Unit 410: Waste Disposal Trenches, Tonopah Test Range, Nevada, Revision No.:0

International Nuclear Information System (INIS)

2002-01-01

, beryllium, total petroleum hydrocarbons; and total Resource Conservation and Recovery Act metals. Field activities will consist of geophysical and radiological surveys, and collecting soil samples at biased locations by appropriate methods. A two-step data quality objective strategy will be followed: (1) define the nature of contamination at each CAS location by identifying any contamination above preliminary action levels (PALs); and, (2) determine the extent of contamination identified above PALs. The results of this field investigation will support a defensible evaluation of corrective action alternatives in the corrective action decision document

Effects of synthetic and natural toxicants on livestock.

Science.gov (United States)

Shull, L R; Cheeke, P R

1983-07-01

Synthetic and natural toxicants are constituents of soil, air, water and foodstuffs. Their impact on animal agriculture has resulted from acute and chronic intoxication and residues transferred into meat, dairy and poultry products. Recent advances in analytical chemistry and the sciences associated with toxicology have allowed better assessment of the hazard of toxicants on animals including man. Historically, natural toxicants (phytotoxins, mycotoxins and minerals) that are associated with many common feedstuffs accounted for toxicity episodes of epidemic proportions. Most synthetic chemicals (pesticides, nonpesticidal organic chemicals and drugs) have been introduced in increasing numbers since the 1940's. In the 1960's and '70's, recognition of the need to control their environmental distribution stimulated the introduction of numerous laws and regulations. In the last decade, several problematic synthetic chemicals have been banned, particularly those found to persist in the environment or those confirmed or suspected as carcinogens in humans. At the farm level, the development of various preventative management strategies has decreased the exposure of livestock to natural toxicants. In the future, the impact of natural toxicants on animal agriculture is expected to lessen as their existence, etiology and toxicology are determined. On the other hand, synthetic chemicals will continue to threaten animal health as greater numbers and quantities are released into the environment. These challenges should stimulate a greater involvement of animal scientists in toxicology.

Corrective Action Decision Document/Closure Report for Corrective Action Unit 482: Area 15 U15a/e Muckpiles and Ponds Nevada Test Site

Energy Technology Data Exchange (ETDEWEB)

NSTec Environmental Restoration

2009-09-30

This Corrective Action Decision Document /Closure Report (CADD/CR) was prepared by the Defense Threat Reduction Agency (DTRA) for Corrective Action Unit (CAU) 482 U15a/e Muckpiles and Ponds. This CADD/CR is consistent with the requirements of the Federal Facility Agreement and Consent Order agreed to by the State of Nevada, the U.S. Department of Energy, and the U.S. Department of Defense. Corrective Action Unit 482 is comprised of three Corrective Action Sites (CASs) and one adjacent area: CAS 15-06-01, U15e Muckpile; CAS 15-06-02, U15a Muckpile; CAS 15-38-01, Area 15 U15a/e Ponds; and Drainage below the U15a Muckpile. The purpose of this CADD/CR is to provide justification and documentation supporting the recommendation for closure with no further corrective action, by placing use restrictions on the three CASs and the adjacent area of CAU 482. To support this recommendation, a corrective action investigation (CAI) was performed in September 2002. The purpose of the CAI was to fulfill the following data needs as defined during the Data Quality Objective (DQO) process: (1) Determine whether contaminants of concern (COCs) are present. (2) If COCs are present, determine their nature and extent. (3) Provide sufficient information and data to determine appropriate corrective actions. The CAU 482 dataset from the CAI was evaluated based on the data quality indicator parameters. This evaluation demonstrated the quality and acceptability of the dataset for use in fulfilling the DQO data needs. Analytes detected during the CAI were evaluated against final action levels (FALs) established in this document. Tier 2 FALS were determined for the hazardous constituents of total petroleum hydrocarbons (TPH)-diesel-range organics (DRO) and the radionuclides americium (Am)-241, cesium (Cs)-137, plutonium (Pu)-238, and Pu-239. The Tier 2 FALs were calculated for the radionuclides using site-specific information. The hazardous constituents of TPH-DRO were compared to the PALs

Corrective Action Decision Document/Closure Report for Corrective Action Unit 482: Area 15 U15a/e Muckpiles and Ponds Nevada Test Site

International Nuclear Information System (INIS)

2009-01-01

This Corrective Action Decision Document /Closure Report (CADD/CR) was prepared by the Defense Threat Reduction Agency (DTRA) for Corrective Action Unit (CAU) 482 U15a/e Muckpiles and Ponds. This CADD/CR is consistent with the requirements of the Federal Facility Agreement and Consent Order agreed to by the State of Nevada, the U.S. Department of Energy, and the U.S. Department of Defense. Corrective Action Unit 482 is comprised of three Corrective Action Sites (CASs) and one adjacent area: CAS 15-06-01, U15e Muckpile; CAS 15-06-02, U15a Muckpile; CAS 15-38-01, Area 15 U15a/e Ponds; and Drainage below the U15a Muckpile. The purpose of this CADD/CR is to provide justification and documentation supporting the recommendation for closure with no further corrective action, by placing use restrictions on the three CASs and the adjacent area of CAU 482. To support this recommendation, a corrective action investigation (CAI) was performed in September 2002. The purpose of the CAI was to fulfill the following data needs as defined during the Data Quality Objective (DQO) process: (1) Determine whether contaminants of concern (COCs) are present. (2) If COCs are present, determine their nature and extent. (3) Provide sufficient information and data to determine appropriate corrective actions. The CAU 482 dataset from the CAI was evaluated based on the data quality indicator parameters. This evaluation demonstrated the quality and acceptability of the dataset for use in fulfilling the DQO data needs. Analytes detected during the CAI were evaluated against final action levels (FALs) established in this document. Tier 2 FALS were determined for the hazardous constituents of total petroleum hydrocarbons (TPH)-diesel-range organics (DRO) and the radionuclides americium (Am)-241, cesium (Cs)-137, plutonium (Pu)-238, and Pu-239. The Tier 2 FALs were calculated for the radionuclides using site-specific information. The hazardous constituents of TPH-DRO were compared to the PALs

Evaluation of detector responses to natural environmental and fall-out gamma radiation

International Nuclear Information System (INIS)

Arvela, H.

1988-01-01

Instrument responses to the thorium, uranium and potassium components of the natural environmental as well as the fall-out radiation field were evaluated. The responses to the 137 Cs fall-out radiation field differ by less than 6% from the response at 0.662 MeV, except for that of the NaI scintillator. Differences of more than 30% were found in the responses of two energy compensated instruments to normal natural background radiation and to radiation from fresh fall-out. The best estimate of the terrestrial component of the dose rate measured was obtained by carrying out the following corrections of the measured readings: cosmic ray contribution and internal background subtraction with response correction, including 137 Cs calibration correction. After the Chernobyl accident the dose rate levels due to 137 Cs and 134 Cs fall-out were comparable to the natural background gamma radiation. The responses calculated as well as the results from measurements of the low level environmental exposure levels caused by the Chernobyl fall-out, confirmed the need to take into account the instrument response to natural as well as fall-out radiation fields. (author)

True coincidence summing correction determination for 214Bi principal gamma lines in NORM samples

International Nuclear Information System (INIS)

Haddad, Kh.

2014-01-01

The gamma lines 609.3 and 1,120.3 keV are two of the most intensive γ emissions of 214 Bi, but they have serious true coincidence summing (TCS) effects due to the complex decay schemes with multi-cascading transitions. TCS effects cause inaccurate count rate and hence erroneous results. A simple and easy experimental method for determination of TCS correction of 214 Bi gamma lines was developed in this work using naturally occurring radioactive material samples. Height efficiency and self attenuation corrections were determined as well. The developed method has been formulated theoretically and validated experimentally. The corrections problems were solved simply with neither additional standard source nor simulation skills. (author)

210Pb content in natural gas pipeline residues ('black-powder') and its correlation with the chemical composition

International Nuclear Information System (INIS)

Godoy, Jose Marcus; Carvalho, Franciane; Cordilha, Aloisio; Matta, Luiz Ernesto; Godoy, Maria Luiza

2005-01-01

The present work was carried out to assess the 210 Pb content in 'black-powder' found in pigging operations on gas pipelines in Brazil, in particular, on the Campos Basin gas pipeline. Additionally, the chemical composition of such deposits was determined and an eventual correlation with 210 Pb concentration evaluated. Typical 'black-powder' generated in the natural gas pipeline from Campos Basin oilfield contains mainly iron oxide (∼81%) and residual organic matter (∼9%). The 210 Pb content ranges from 4.9 to 0.04 kBq kg -1 and seems to be inversely correlated with the distance to the platforms. On the other hand, 226 Ra concentration is higher on the pipeline branch between the platform and the onshore installations. 228 Ra was only observed in few samples, in particular, in the samples with the highest 226 Ra content

A mobile sampler for mesuring the concentration of radionuclides and their physico chemical forms in natural waters

International Nuclear Information System (INIS)

Spezzano, P.; Giacomelli, R.; Bortoluzzi, S.; Montealto, M.; Nocente, M.

1990-01-01

This paper describes the realization of a sampler for concentrating radionuclides from large volume of natural waters with the purpose to determine their concentration levels and their physico-chemical forms. Sample is pumped at a flow rate of about 0.5 m 3 /h through a set of sequential filters with different pore sizes to achieve separation of 'particulate' from 'dissolved' forms. Filtered samples is then passed through sequential beds of cation and anion exchange resins and activated alumina to obtain separation of dissolved forms on the basis of their charge. Ammonium Hexacianocobalt Ferrate (NCFC is used as a selective exchanger for Cesium isotopes. Filter and exchangers are measured by computerized gamma spectrometry. Detection limits are of a few tenths of Bq per cubic meter of sample. The main results obtained during radioecological surveys are also presented

Novel, cyclic heat dissipation method for the correction of natural temperature gradients in sap flow measurements. Part 2. Laboratory validation.

Science.gov (United States)

Reyes-Acosta, J Leonardo; Vandegehuchte, Maurits W; Steppe, Kathy; Lubczynski, Maciek W

2012-07-01

Sap flow measurements conducted with thermal dissipation probes (TDPs) are vulnerable to natural temperature gradient (NTG) bias. Few studies, however, attempted to explain the dynamics underlying the NTG formation and its influence on the sensors' signal. This study focused on understanding how the TDP signals are affected by negative and positive temperature influences from NTG and tested the novel cyclic heat dissipation (CHD) method to filter out the NTG bias. A series of three experiments were performed in which gravity-driven water flow was enforced on freshly cut stem segments of Fagus sylvatica L., while an artificial temperature gradient (ATG) was induced. The first experiment sought to confirm the incidence of the ATG on sensors. The second experiment established the mis-estimations caused by the biasing effect of the ATG on standard TDP measurements. The third experiment tested the accuracy of the CHD method to account for the ATG biasing effect, as compared with other cyclic correction methods. During experiments, sap flow measured by TDP was assessed against gravimetric measurements. The results show that negative and positive ATGs were comparable in pattern but substantially larger than field NTGs. Second, the ATG bias caused an overestimation of the standard TDP sap flux density of ∼17 cm(3) cm(-2) h(-1) by 76%, and the sap flux density of ∼2 cm(3) cm(-2) h(-1) by over 800%. Finally, the proposed CHD method successfully reduced the max. ATG bias to 25% at ∼11 cm(3) cm(-2) h(-1) and to 40% at ∼1 cm(3) cm(-2) h(-1). We concluded that: (i) the TDP method is susceptible to NTG especially at low flows; (ii) the CHD method successfully corrected the TDP signal and resulted in generally more accurate sap flux density estimates (mean absolute percentage error ranging between 11 and 21%) than standard constant power TDP method and other cyclic power methods; and (iii) the ATG enforcing system is a suitable way of re-creating NTG for future tests.

Effect of natural and chemical insecticides on Hyalopterus pruni and ...

African Journals Online (AJOL)

Experiments were carried out to evaluate the effect of water extracts of Fagonia arabica, Salix alba and Anthmis pseudocotula and their mixtures with chemical insecticide (Malathion) on growth of. Hyalopterus pruni and characters of Armeniaca vulgaris plants and their soils. The data revealed that F.arabica extract at 20% ...

Fractal nature of humic materials

International Nuclear Information System (INIS)

Rice, J.A.

1992-01-01

Fractals are geometric representatives of strongly disordered systems whose structure is described by nonintegral dimensions. A fundamental tenet of fractal geometry is that disorder persists at any characterization scale-length used to describe the system. The nonintegral nature of these fractal dimensions is the result of the realization that a disordered system must possess more structural detail than an ordered system with classical dimensions of 1, 2, or 3 in order to accommodate this ''disorder within disorder.'' Thus from a fractal perspective, disorder is seen as an inherent characteristic of the system rather than as a perturbative phenomena forced upon it. Humic materials are organic substances that are formed by the profound alteration of organic matter in a natural environment. They can be operationally divided into 3 fractions; humic acid (soluble in base), fulvic acid (soluble in acid or base), and humin (insoluble in acid or base). Each of these fraction has been shown to be an extremely heterogeneous mixture. These mixtures have proven so intractable that they may represent the ultimate in molecular disorder. In fact, based on the characteristics that humic materials must possess in order to perform their functions in natural systems, it has been proposed that the fundamental chemical characteristic of a humic material is not a discrete chemical structure but a pronounced lack of order on a molecular level. If the fundamental chemical characteristic of a humic material is a strongly disordered nature, as has been proposed, then humic materials should be amenable to characterization by fractal geometry. The purpose of this paper is to test this hypothesis

Chemical ecology of insects and tritrophic interactions

International Nuclear Information System (INIS)

Ahmad, F.; Aslam, M.; Razaq, M.

2004-01-01

This paper reviews the chemical ecology of insects to explain the role of semiochemicals in plant-herbivore, herbivore-carnivore and plant-carnivore interactions. The semiochemical, mediating tritrophic interactions may be produced by plants, herbivores or their natural enemies (carnivores). Some semiochemicals attract the herbivores and carnivores and mediate interaction among them, while on the other hand some repel them. The semiochemicals are used by heribivores, parasites and predators as cues to locate food, host or prey. The same chemicals are also used for defensive purpose by some herbivores against their natural enemies as they are sequestered through their bodies. (author)

Paper-pen peer-correction versus wiki-based peer-correction

Directory of Open Access Journals (Sweden)

Froldova Vladimira

2016-01-01

Full Text Available This study reports on the comparison of the students’ achievement and their attitudes towards the use of paper-pen peer-correction and wiki-based peer-correction within English language lessons and CLIL Social Science lessons at the higher secondary school in Prague. Questionnaires and semi-structured interviews were utilized to gather information. The data suggests that students made considerable use of wikis and showed higher degrees of motivation in wiki-based peer-correction during English language lessons than in CLIL Social Science lessons. In both cases wikis not only contributed to developing students’ writing skills, but also helped students recognize the importance of collaboration.

Review of corrective measures to stabilize subsidence in shallow-land burial trenches

International Nuclear Information System (INIS)

Roop, R.D.; Staub, W.P.; Hunsaker, D.B. Jr.; Ketelle, R.H.; Lee, D.W.; Pin, F.G.; Witten, A.J.

1983-05-01

Shallow-land burial of low-level radioactive wastes is frequently followed by subsidence: the slumping, cave-in, or depression of the trench's surface. This report describes and evaluates the measures proposed for correcting subsidence, including roller compaction, grouting, explosives, surcharging, falling mass, pile driving, in situ incineration, and accelerated decomposition. Subsidence, which has occurred at all the major waste disposal sites, has two major causes: filling of packing voids (spaces between waste containers) and filling of interior voids (spaces within containers). Four additional mechanisms also contribute to subsidence: collapse of trench walls, chemical and biological degradation, soil consolidation, and shrink and swell phenomena. Corrective measures for subsidence are evaluated on three criteria: effectiveness, applicability, and cost. The evaluation indicates that one method, falling mass, is considered to be effective, widely applicable, and relatively low in cost, suggesting that this would be the most generally useful technique and would yield the greatest payoff from further development and field trials. There are many uncertainties associated with the cost and effectiveness of corrective measures which can best be resolved by experimental field demonstrations. Site-specific analyses for each disposal area are recommended, to determine which techniques are appropriate and to evaluate the overall desirability of applying corrective measures

Corrective Action Investigation Plan for Corrective Action Unit 214: Bunkers and Storage Areas Nevada Test Site, Nevada: Revision 0, Including Record of Technical Change No. 1 and No. 2

Energy Technology Data Exchange (ETDEWEB)

U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office

2003-05-16

This Corrective Action Investigation Plan contains the U.S. Department of Energy, National Nuclear Security Administration Nevada Site Office's approach to collect the data necessary to evaluate corrective action alternatives appropriate for the closure of Corrective Action Unit (CAU) 214 under the Federal Facility Agreement and Consent Order. Located in Areas 5, 11, and 25 of the Nevada Test Site, CAU 214 consists of nine Corrective Action Sites (CASs): 05-99-01, Fallout Shelters; 11-22-03, Drum; 25-99-12, Fly Ash Storage; 25-23-01, Contaminated Materials; 25-23-19, Radioactive Material Storage; 25-99-18, Storage Area; 25-34-03, Motor Dr/Gr Assembly (Bunker); 25-34-04, Motor Dr/Gr Assembly (Bunker); and 25-34-05, Motor Dr/Gr Assembly (Bunker). These sites are being investigated because existing information on the nature and extent of potential contamination is insufficient to evaluate and recommend corrective action alternatives (CAAs). The suspected contaminants and critical analyte s for CAU 214 include oil (total petroleum hydrocarbons-diesel-range organics [TPH-DRO], polychlorinated biphenyls [PCBs]), pesticides (chlordane, heptachlor, 4,4-DDT), barium, cadmium, chronium, lubricants (TPH-DRO, TPH-gasoline-range organics [GRO]), and fly ash (arsenic). The land-use zones where CAU 214 CASs are located dictate that future land uses will be limited to nonresidential (i.e., industrial) activities. The results of this field investigation will support a defensible evaluation of viable corrective action alternatives that will be presented in the corrective action decision document.

Aqueous chemical dosimetry

International Nuclear Information System (INIS)

Matthews, R.W.

1982-01-01

Aqueous chemical dosimetry based on ceric and ferrous sulfate solutions and on a number of fluorescence-induced systems is reviewed. Particular attention is given to the factors affecting the response of these dosimeters to radiation and the corrections necessary for more accurate dosimetry under various irradiation conditions. The effect of cerous and ceric ion, oxygen, and sulfuric acid concentration on the ceric dosimeter is discussed together with the effects of temperature, energy of radiation, degraded energy spectra, and peroxysulfuric acids. Practical aspects of ceric/cerous dosimetry are given. Although ferrous sulfate solution is the most important and widely studied reference dosimeter, general agreement has not been reached on the ''best'' value for the molar extinction coefficient of ferric ions nor on the correction necessary to the G(Fe 3 - ) value for irradiations at temperatures significantly different from 25 0 C. New data are presented which indicate that the larger temperature coefficients given in the literature are more accurate. The ferrous sulfate system has been of great importance in establishing the primary radiolytic yields for 0.4 M sulfuric acid solution; it is shown how the failure to take into account the effect of oxygen and ferrous sulfate concentrations has led to erroneously high estimates of the zero solute concentration values in acid solutions. Some of the methods for extending the dose ranges measurable with ferrous sulfate-based solutions are reviewed. Substances which on irradiation give highly fluorescent products are among the most sensitive aqueous chemical dosimeters. These include benzoate and terephthalate solutions and the more recent coumarin and trimesate solutions. Advantages and disadvantages system are discussed. (author)

Segmentation-free empirical beam hardening correction for CT

Energy Technology Data Exchange (ETDEWEB)

Schüller, Sören; Sawall, Stefan [German Cancer Research Center (DKFZ), Im Neuenheimer Feld 280, Heidelberg 69120 (Germany); Stannigel, Kai; Hülsbusch, Markus; Ulrici, Johannes; Hell, Erich [Sirona Dental Systems GmbH, Fabrikstraße 31, 64625 Bensheim (Germany); Kachelrieß, Marc, E-mail: marc.kachelriess@dkfz.de [German Cancer Research Center (DKFZ), Im Neuenheimer Feld 280, 69120 Heidelberg (Germany)

2015-02-15

Purpose: The polychromatic nature of the x-ray beams and their effects on the reconstructed image are often disregarded during standard image reconstruction. This leads to cupping and beam hardening artifacts inside the reconstructed volume. To correct for a general cupping, methods like water precorrection exist. They correct the hardening of the spectrum during the penetration of the measured object only for the major tissue class. In contrast, more complex artifacts like streaks between dense objects need other techniques of correction. If using only the information of one single energy scan, there are two types of corrections. The first one is a physical approach. Thereby, artifacts can be reproduced and corrected within the original reconstruction by using assumptions in a polychromatic forward projector. These assumptions could be the used spectrum, the detector response, the physical attenuation and scatter properties of the intersected materials. A second method is an empirical approach, which does not rely on much prior knowledge. This so-called empirical beam hardening correction (EBHC) and the previously mentioned physical-based technique are both relying on a segmentation of the present tissues inside the patient. The difficulty thereby is that beam hardening by itself, scatter, and other effects, which diminish the image quality also disturb the correct tissue classification and thereby reduce the accuracy of the two known classes of correction techniques. The herein proposed method works similar to the empirical beam hardening correction but does not require a tissue segmentation and therefore shows improvements on image data, which are highly degraded by noise and artifacts. Furthermore, the new algorithm is designed in a way that no additional calibration or parameter fitting is needed. Methods: To overcome the segmentation of tissues, the authors propose a histogram deformation of their primary reconstructed CT image. This step is essential for the

Segmentation-free empirical beam hardening correction for CT.

Science.gov (United States)

Schüller, Sören; Sawall, Stefan; Stannigel, Kai; Hülsbusch, Markus; Ulrici, Johannes; Hell, Erich; Kachelrieß, Marc

2015-02-01

The polychromatic nature of the x-ray beams and their effects on the reconstructed image are often disregarded during standard image reconstruction. This leads to cupping and beam hardening artifacts inside the reconstructed volume. To correct for a general cupping, methods like water precorrection exist. They correct the hardening of the spectrum during the penetration of the measured object only for the major tissue class. In contrast, more complex artifacts like streaks between dense objects need other techniques of correction. If using only the information of one single energy scan, there are two types of corrections. The first one is a physical approach. Thereby, artifacts can be reproduced and corrected within the original reconstruction by using assumptions in a polychromatic forward projector. These assumptions could be the used spectrum, the detector response, the physical attenuation and scatter properties of the intersected materials. A second method is an empirical approach, which does not rely on much prior knowledge. This so-called empirical beam hardening correction (EBHC) and the previously mentioned physical-based technique are both relying on a segmentation of the present tissues inside the patient. The difficulty thereby is that beam hardening by itself, scatter, and other effects, which diminish the image quality also disturb the correct tissue classification and thereby reduce the accuracy of the two known classes of correction techniques. The herein proposed method works similar to the empirical beam hardening correction but does not require a tissue segmentation and therefore shows improvements on image data, which are highly degraded by noise and artifacts. Furthermore, the new algorithm is designed in a way that no additional calibration or parameter fitting is needed. To overcome the segmentation of tissues, the authors propose a histogram deformation of their primary reconstructed CT image. This step is essential for the proposed

H4: A challenging system for natural orbital functional approximations

International Nuclear Information System (INIS)

Ramos-Cordoba, Eloy; Lopez, Xabier; Piris, Mario; Matito, Eduard

2015-01-01

The correct description of nondynamic correlation by electronic structure methods not belonging to the multireference family is a challenging issue. The transition of D 2h to D 4h symmetry in H 4 molecule is among the most simple archetypal examples to illustrate the consequences of missing nondynamic correlation effects. The resurgence of interest in density matrix functional methods has brought several new methods including the family of Piris Natural Orbital Functionals (PNOF). In this work, we compare PNOF5 and PNOF6, which include nondynamic electron correlation effects to some extent, with other standard ab initio methods in the H 4 D 4h /D 2h potential energy surface (PES). Thus far, the wrongful behavior of single-reference methods at the D 2h –D 4h transition of H 4 has been attributed to wrong account of nondynamic correlation effects, whereas in geminal-based approaches, it has been assigned to a wrong coupling of spins and the localized nature of the orbitals. We will show that actually interpair nondynamic correlation is the key to a cusp-free qualitatively correct description of H 4 PES. By introducing interpair nondynamic correlation, PNOF6 is shown to avoid cusps and provide the correct smooth PES features at distances close to the equilibrium, total and local spin properties along with the correct electron delocalization, as reflected by natural orbitals and multicenter delocalization indices

H4: A challenging system for natural orbital functional approximations

Science.gov (United States)

Ramos-Cordoba, Eloy; Lopez, Xabier; Piris, Mario; Matito, Eduard

2015-10-01

The correct description of nondynamic correlation by electronic structure methods not belonging to the multireference family is a challenging issue. The transition of D2h to D4h symmetry in H4 molecule is among the most simple archetypal examples to illustrate the consequences of missing nondynamic correlation effects. The resurgence of interest in density matrix functional methods has brought several new methods including the family of Piris Natural Orbital Functionals (PNOF). In this work, we compare PNOF5 and PNOF6, which include nondynamic electron correlation effects to some extent, with other standard ab initio methods in the H4 D4h/D2h potential energy surface (PES). Thus far, the wrongful behavior of single-reference methods at the D2h-D4h transition of H4 has been attributed to wrong account of nondynamic correlation effects, whereas in geminal-based approaches, it has been assigned to a wrong coupling of spins and the localized nature of the orbitals. We will show that actually interpair nondynamic correlation is the key to a cusp-free qualitatively correct description of H4 PES. By introducing interpair nondynamic correlation, PNOF6 is shown to avoid cusps and provide the correct smooth PES features at distances close to the equilibrium, total and local spin properties along with the correct electron delocalization, as reflected by natural orbitals and multicenter delocalization indices.

Zinc in soybeans. Chemical nature and bioavilability

International Nuclear Information System (INIS)

Khan, A.

1987-01-01

Soybeans were grown hydroponically and intrinsically labeled with 65 Zn through root absorption, stem injection and foliar application. Stem injection resulted in the greatest accumulation of 65 Zn. Regardless of the labeling technique, approximately 40-45% of the seed 65 Zn was associated with the subcellular organelles. The pattern of 65 Zn incorporation into soybeans did not change appreciably as a result of the labelling technique. The major portion of the soluble 65 Zn was either free or associated with very low molecular weight proteins, peptides, or their complexes with phytic acid rather than the major proteins of soybeans. Zinc in soybeans is ionically bound to proteins, peptides and phytic acid. Autoclaving did not affect the chemical association of zinc with soy proteins. Solubility of protein, zinc and phytic acid was studied over the pH range of 3.5-12.0. Bioavailability of zinc to rats from soybeans was lower than from casein and rats adapted to a casein basal diet absorbed more 65 Zn from both casein and soy than rats adapted to a soy basal diet

Self-correcting quantum memory in a thermal environment

International Nuclear Information System (INIS)

Chesi, Stefano; Roethlisberger, Beat; Loss, Daniel

2010-01-01

The ability to store information is of fundamental importance to any computer, be it classical or quantum. To identify systems for quantum memories, which rely, analogously to classical memories, on passive error protection (''self-correction''), is of greatest interest in quantum information science. While systems with topological ground states have been considered to be promising candidates, a large class of them was recently proven unstable against thermal fluctuations. Here, we propose two-dimensional (2D) spin models unaffected by this result. Specifically, we introduce repulsive long-range interactions in the toric code and establish a memory lifetime polynomially increasing with the system size. This remarkable stability is shown to originate directly from the repulsive long-range nature of the interactions. We study the time dynamics of the quantum memory in terms of diffusing anyons and support our analytical results with extensive numerical simulations. Our findings demonstrate that self-correcting quantum memories can exist in 2D at finite temperatures.

Higher-order conductivity corrections to the Casimir force

International Nuclear Information System (INIS)

Bezerra, Valdir Barbosa; Klimchitskaya, Galina; Mostepanenko, Vladimir

2000-01-01

Full text follows: Considerable recent attention has been focused on the new experiments on measuring the Casimir force. To be confident that experimental data fit theory at a level of several percent, a variety of corrections to the ideal expression for the Casimir force should be taken into account. One of the main corrections at small separations between interacting bodies is the one due to finite conductivity of the boundary metal. This correction has its origin in non-zero penetration depth δ 0 of electromagnetic vacuum oscillations into the metal (for a perfect metal of infinitely large conductivity δ 0 = 0). The other quantity of the dimension of length is the space separation a between two plates or a plate and a sphere. Their relation δ 0 /a is the natural perturbation parameter in which powers the corrections to the Casimir force due to finite conductivity can be expanded. Such an expansion works good for all separations a >> δ 0 (i.e. for separations larger than 100-150 nm). The first-order term of this expansion was calculated almost forty years ago, and the second-order one in 1985 [1]. These two terms are not sufficient for the comparison of the theory with precision modern experiments. In this talk we report the results of paper [2] where the third- and fourth-order terms in δ 0 /a expansion of the Casimir force were calculated first. They gave the possibility to achieve an excellent agreement of a theory and experiment. (author)

Author Correction

DEFF Research Database (Denmark)

Grundle, D S; Löscher, C R; Krahmann, G

2018-01-01

A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has not been fixed in the paper.......A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has not been fixed in the paper....

Standardized chemical synthesis of Pseudomonas aeruginosa pyocyanin

Directory of Open Access Journals (Sweden)

Rajkumar Cheluvappa

2014-01-01

As we have extracted pyocyanin both from P. aeruginosa cultures, and via chemical synthesis; we know the procedural and product-quality differences. We endorse the relative ease, safety, and convenience of using the chemical synthesis described here. Crucially, our “naturally endotoxin-free” pyocyanin can be extracted easily without using infectious bacteria.

Nature is the best source of anti-inflammatory drugs: indexing natural products for their anti-inflammatory bioactivity.

Science.gov (United States)

Aswad, Miran; Rayan, Mahmoud; Abu-Lafi, Saleh; Falah, Mizied; Raiyn, Jamal; Abdallah, Ziyad; Rayan, Anwar

2018-01-01

The aim was to index natural products for less expensive preventive or curative anti-inflammatory therapeutic drugs. A set of 441 anti-inflammatory drugs representing the active domain and 2892 natural products representing the inactive domain was used to construct a predictive model for bioactivity-indexing purposes. The model for indexing the natural products for potential anti-inflammatory activity was constructed using the iterative stochastic elimination algorithm (ISE). ISE is capable of differentiating between active and inactive anti-inflammatory molecules. By applying the prediction model to a mix set of (active/inactive) substances, we managed to capture 38% of the anti-inflammatory drugs in the top 1% of the screened set of chemicals, yielding enrichment factor of 38. Ten natural products that scored highly as potential anti-inflammatory drug candidates are disclosed. Searching the PubMed revealed that only three molecules (Moupinamide, Capsaicin, and Hypaphorine) out of the ten were tested and reported as anti-inflammatory. The other seven phytochemicals await evaluation for their anti-inflammatory activity in wet lab. The proposed anti-inflammatory model can be utilized for the virtual screening of large chemical databases and for indexing natural products for potential anti-inflammatory activity.

S-parameter at Non-Zero Temperature and Chemical Potential

DEFF Research Database (Denmark)

Søndergaard, Ulrik Ishøj; Sannino, Francesco; Pica, Claudio

2011-01-01

We compute the finite-temperature and matter density corrections to the S-parameter at the one loop level. At non-zero temperature T and matter density Lorentz symmetry breaks and therefore we suggest a suitable generalization of the S-parameter. By computing the plasma correction, we discover...... a reduction of the S-parameter in the physically relevant region of small external momenta for any non-zero chemical potential and T. In particular, the S-parameter vanishes at small m/T, where m is the mass of the fermions, due to the finite extent of the temporal direction. Our results are directly...

Knowledge based decision making: perspective on natural gas production

Energy Technology Data Exchange (ETDEWEB)

Ydstie, B. Erik; Stuland, Kjetil M.

2009-07-01

Conclusions (drawn by the author): Decarbonization of energy sources - From coal to renewable. Natural Gas Abundantly available - Norway is no. 3 exporter. Natural gas important as - Hydrogen source for chemicals; - Electricity; - End consumer usage (heating etc). Large potential for application of model based decision making; - Where and when to install platforms and drill wells - How to operate platforms and pipeline systems; - How to operate and optimize chemical production; - Optimization of electricity generation systems. (author)

Natural environment and the biogeochemical cycle s. Pt. A

Energy Technology Data Exchange (ETDEWEB)

Hutzinger, O [ed.

1980-01-01

At the moment three volumes of the handbook are planned. Volume 1 deals with the natural environment and the biogeochemical cycles therein, including some background information such as energetics and ecology. The individual chapters are dealing with the atmosphere, the hydrosphere, chemical oceanography, chemical aspects of soil, the cycle of oxygen, sulfur, and phosphorus, metal cycles and biological methylation, and natural organohalogen compounds. Separate abstracts are prepared for 5 chapters of this book.

Chemical nature and distribution of calcium compounds in radiolucent gallstones

International Nuclear Information System (INIS)

Agarwal, D.K.; Choudhuri, G.; Kumar, J.

1993-01-01

A high failure rate for radiolucent cholesterol gallstones to dissolve with oral bile acids may be due to the presence of insoluble calcium compounds. Twenty sets of radiolucent gallstones, 7-20 mm in diameter, obtained from 20 patients undergoing cholecystectomy, were cut, and the outer surface, outer rim, middle portion, and central core areas were scanned for calcium by energy-dispersive X-ray microanalysis (EDX) and scanning electron microscopy (SEM). Scrapings from the four areas of each stone were analysed by infrared spectroscopy. A sample of the crushed stone was used for chemical estimation of cholesterol. 11 of the 20 cholesterol stones showed presence of calcium by EDX; the distribution was peripheral in 5, homogeneous in 4, and central in 2. The chemical compound was calcium bilirubinate in 10 and calcium carbonate in 8 stones. Calcium compounds are present in a high proportion of radiolucent gallstones considered suitable for chemodissolution by conventional criteria. Their unrecognized presence may explain the high failure rate of such stones to respond to medical therapy. 20 refs., 3 figs

Discrimination between earthquakes and chemical explosions using artificial neural networks

International Nuclear Information System (INIS)

Kundu, Ajit; Bhadauria, Y.S.; Roy, Falguni

2012-05-01

An Artificial Neural Network (ANN) for discriminating between earthquakes and chemical explosions located at epicentral distances, Δ <5 deg from Gauribidanur Array (GBA) has been developed using the short period digital seismograms recorded at GBA. For training the ANN spectral amplitude ratios between P and Lg phases computed at 13 different frequencies in the frequency range of 2-8 Hz, corresponding to 20 earthquakes and 23 chemical explosions were used along with other parameters like magnitude, epicentral distance and amplitude ratios Rg/P and Rg/Lg. After training and development, the ANN has correctly identified a set of 21 test events, comprising 6 earthquakes and 15 chemical explosions. (author)

Ultrasound improves chemical reduction of natural contaminant microbiota and Salmonella enterica subsp. enterica on strawberries.

Science.gov (United States)

do Rosário, Denes Kaic Alves; da Silva Mutz, Yhan; Peixoto, Jaqueline Moreira Curtis; Oliveira, Syllas Borburema Silva; de Carvalho, Raquel Vieira; Carneiro, Joel Camilo Souza; de São José, Jackline Freitas Brilhante; Bernardes, Patrícia Campos

2017-01-16

New sanitization methods have been evaluated to improve food safety and food quality and to replace chlorine compounds. However, these new methods can lead to physicochemical and sensory changes in fruits and vegetables. The present study evaluated the effects of acetic acid, peracetic acid, and sodium dodecylbenzenesulfonate isolated or combined with 5min of ultrasound treatment (40kHz, 500W) on strawberry quality over 9days of storage at 8°C. The strawberry natural contaminant microbiota (molds and yeasts, mesophilic aerobic and lactic acid bacteria), physicochemical quality (pH, total titratable acidity, total soluble solids, vitamin C, and color), sensory quality (triangle test) and inactivation of Salmonella enterica subsp. enterica intentionally inoculated onto strawberries were analyzed. Ultrasound increased the effect of all chemical compounds in the reduction of aerobic mesophilic, molds and yeasts. The best treatment for those groups of microorganisms was ultrasound combined with peracetic acid (US+PA) that reduced 1.8 and 2.0logcfu/g during 9days of storage. Bactericidal effect of peracetic acid was also improved by ultrasound inactivation of S. enterica, reaching a decimal reduction of 2.1logcfu/g. Moreover, synergistic effects were observed in contaminant natural microbiota inactivation for all tested compounds during storage, without any major physicochemical or sensory alteration to the strawberries. Therefore, ultrasound treatment can improve the effect of sanitizers that are substitutes of chlorine compounds without altering the quality of strawberries during storage. Acetic acid (PubChem CID: 176); Peracetic acid (PubChem CID: 6585); Sodium dodecylbenzenesulfonate (PubChem CID: 18372154). Copyright © 2016 Elsevier B.V. All rights reserved.

Comprehensive strategy for corrective actions at the Savannah River Site General Separations Area

International Nuclear Information System (INIS)

Ebra, M.A.; Lewis, C.M.; Amidon, M.B.; McClain, L.K.

1991-01-01

The Savannah River Site (SRS), operated by the Westinghouse Savannah River Company for the United States Department of Energy, contains a number of waste disposal units that are currently in various stages of corrective action investigations, closures, and postclosure corrective actions. Many of these sites are located within a 40-square-kilometer area called the General Separations Area (GSA). The SRS has proposed to the regulatory agencies, the United States Environmental Protection Agency (EPA) and the South Carolina Department of Health and Environmental Control (SCDHEC), that groundwater investigations and corrective actions in this area be conducted under a comprehensive plan. The proposed plan would address the continuous nature of the hydrogeologic regime below the GSA and the potential for multiple sources of contamination. This paper describes the proposed approach

Unconventional scaling of the anomalous Hall effect accompanying electron localization correction in the dirty regime

KAUST Repository

Lu, Y. M.

2013-03-05

Scaling of the anomalous Hall conductivity to longitudinal conductivity σAH∝σ2xx has been observed in the dirty regime of two-dimensional weak and strong localization regions in ultrathin, polycrystalline, chemically disordered, ferromagnetic FePt films. The relationship between electron transport and temperature reveals a quantitatively insignificant Coulomb interaction in these films, while the temperature dependent anomalous Hall conductivity experiences quantum correction from electron localization. At the onset of this correction, the low-temperature anomalous Hall resistivity begins to be saturated when the thickness of the FePt film is reduced, and the corresponding Hall conductivity scaling exponent becomes 2, which is above the recent unified theory of 1.6 (σAH∝σ1.6xx). Our results strongly suggest that the correction of the electron localization modulates the scaling exponent of the anomalous Hall effect.

Identifying the nature of surface chemical modification for directed self-assembly of block copolymers

Directory of Open Access Journals (Sweden)

Laura Evangelio

2017-09-01

Full Text Available In recent years, block copolymer lithography has emerged as a viable alternative technology for advanced lithography. In chemical-epitaxy-directed self-assembly, the interfacial energy between the substrate and each block copolymer domain plays a key role on the final ordering. Here, we focus on the experimental characterization of the chemical interactions that occur at the interface built between different chemical guiding patterns and the domains of the block copolymers. We have chosen hard X-ray high kinetic energy photoelectron spectroscopy as an exploration technique because it provides information on the electronic structure of buried interfaces. The outcome of the characterization sheds light onto key aspects of directed self-assembly: grafted brush layer, chemical pattern creation and brush/block co-polymer interface.

Corrective Action Decision Document/Closure Report for Corrective Action Unit 375: Area 30 Buggy Unit Craters, Nevada National Security Site, Nevada, Revision 0

Energy Technology Data Exchange (ETDEWEB)

Patrick Matthews

2011-08-01

Corrective Action Unit 375 comprises three corrective action sites (CASs): (1) 25-23-22, Contaminated Soils Site; (2) 25-34-06, Test Cell A Bunker; and (3) 30-45-01, U-30a, b, c, d, e Craters. The purpose of this CADD/CR is to provide justification and documentation supporting the recommendation that no further corrective action is needed for CAU 375 based on the implementation of corrective action of closure in place with administrative controls at CAS 25-23-22, no further action at CAS 25-34-06, and closure in place with administrative controls and removal of potential source material (PSM) at CAS 30-45-01. Corrective action investigation (CAI) activities were performed from July 28, 2010, through April 4, 2011, as set forth in the Corrective Action Investigation Plan for Corrective Action Unit 375: Area 30 Buggy Unit Craters. The approach for the CAI was divided into two facets: investigation of the primary release of radionuclides, and investigation of other releases (migration in washes and chemical releases). The purpose of the CAI was to fulfill data needs as defined during the data quality objective (DQO) process. The CAU 375 dataset of investigation results was evaluated based on the data quality assessment. This assessment demonstrated the dataset is acceptable for use in fulfilling the DQO data needs. Investigation results were evaluated against final action levels (FALs) established in this document. A radiological dose FAL of 25 millirem per year was established based on the Remote Work Area exposure scenario (336 hours of annual exposure). Radiological doses exceeding the FAL were assumed to be present within the default contamination boundaries at CASs 25-23-22 and 30-45-01. No contaminants were identified at CAS 25-34-06, and no corrective action is necessary. Potential source material in the form of lead plate, lead-acid batteries, and oil within an abandoned transformer were identified at CAS 30-45-01, and corrective actions were undertaken that

[Physico-chemical features of dinitrosyl iron complexes with natural thiol-containing ligands underlying biological activities of these complexes].

Science.gov (United States)

Vanin, A F; Borodulin, R R; Kubrina, L N; Mikoian, V D; Burbaev, D Sh

2013-01-01

Current notions and new experimental data of the authors on physico-chemical features of dinitrosyl iron complexes with natural thiol-containing ligands (glutathione or cysteine), underlying the ability of the complexes to act as NO molecule and nitrosonium ion donors, are considered. This ability determines various biological activities of dinitrosyl iron complexes--inducing long-lasting vasodilation and thereby long-lasting hypotension in human and animals, inhibiting pellet aggregation, increasing red blood cell elasticity, thereby stimulating microcirculation, and reducing necrotic zone in animals with myocardial infarction. Moreover, dinitrosyl iron complexes are capable of accelerating skin wound healing, improving the function of penile cavernous tissue, blocking apoptosis development in cell cultures. When decomposed dinitrosyl iron complexes can exert cytotoxic effect that can be used for curing infectious and carcinogenic pathologies.

Antiplasmodial Natural Products

Directory of Open Access Journals (Sweden)

Cláudio R. Nogueira

2011-03-01

Full Text Available Malaria is a human infectious disease that is caused by four species of Plasmodium. It is responsible for more than 1 million deaths per year. Natural products contain a great variety of chemical structures and have been screened for antiplasmodial activity as potential sources of new antimalarial drugs. This review highlights studies on natural products with antimalarial and antiplasmodial activity reported in the literature from January 2009 to November 2010. A total of 360 antiplasmodial natural products comprised of terpenes, including iridoids, sesquiterpenes, diterpenes, terpenoid benzoquinones, steroids, quassinoids, limonoids, curcubitacins, and lanostanes; flavonoids; alkaloids; peptides; phenylalkanoids; xanthones; naphthopyrones; polyketides, including halenaquinones, peroxides, polyacetylenes, and resorcylic acids; depsidones; benzophenones; macrolides; and miscellaneous compounds, including halogenated compounds and chromenes are listed in this review.

Method and apparatus for continuous monitoring and control of neutron absorption properties of chemical shim with temperature compensation

International Nuclear Information System (INIS)

Schukei, G.E.; Kowles, J.E.

1975-01-01

An apparatus is described to continuously monitor and control the neutron absorption properties of chemical shim used in regulating reactivity of a pressurized water nuclear reactor. Coolant-moderator fluid, containing soluble chemical shim with a neutron absorption property is continuously passed through a chamber having at least one neutron detector spaced from a neutron source of known strength. Utilizing the neutron absorptiometery principle, a signal relating to the concentration of the chemical shim in the coolant-moderator is derived. In addition, the temperature of the sample of coolant is obtained and a temperature compensation signal is generated. The signal related to chemical shim concentration is modified by the temperature compensation signal to correct for temperature related effects. The corrected signal is then applied to a readout and alarm device so that constant monitoring of the shim concentration may be accomplished; additionally, the signal may be applied to maintain the concentration of the chemical shim in the coolant-moderator at a desired level. (U.S.)

A logical correspondence between natural semantics and abstract machines

DEFF Research Database (Denmark)

Simmons, Robert J.; Zerny, Ian

2013-01-01

We present a logical correspondence between natural semantics and abstract machines. This correspondence enables the mechanical and fully-correct construction of an abstract machine from a natural semantics. Our logical correspondence mirrors the Reynolds functional correspondence, but we...... manipulate semantic specifications encoded in a logical framework instead of manipulating functional programs. Natural semantics and abstract machines are instances of substructural operational semantics. As a byproduct, using a substructural logical framework, we bring concurrent and stateful models...

Corrective action investigation plan for Corrective Action Unit 143: Area 25 contaminated waste dumps, Nevada Test Site, Nevada, Revision 1 (with Record of Technical Change No. 1 and 2)

Energy Technology Data Exchange (ETDEWEB)

USDOE Nevada Operations Office (DOE/NV)

1999-06-28

This plan contains the US Department of Energy, Nevada Operations Office's approach to collect the data necessary to evaluate correction action alternatives appropriate for the closure of Corrective Action Unit (CAU) 143 under the Federal Facility Agreement and Consent Order. Corrective Action Unit 143 consists of two waste dumps used for the disposal of solid radioactive wastes. Contaminated Waste Dump No.1 (CAS 25-23-09) was used for wastes generated at the Reactor Maintenance Assembly and Disassembly (R-MAD) Facility and Contaminated Waste Dump No.2 (CAS 25-23-03) was used for wastes generated at the Engine Maintenance Assembly and Disassembly (E-MAD) Facility. Both the R-MAD and E-MAD facilities are located in Area 25 of the Nevada Test Site. Based on site history, radionuclides are the primary constituent of concern and are located in these disposal areas; vertical and lateral migration of the radionuclides is unlikely; and if migration has occurred it will be limited to the soil beneath the Contaminated Waste Disposal Dumps. The proposed investigation will involve a combination of Cone Penetrometer Testing within and near the solid waste disposal dumps, field analysis for radionuclides and volatile organic compounds, as well as sample collection from the waste dumps and surrounding areas for off-site chemical, radiological, and geotechnical analyses. The results of this field investigation will support a defensible evaluation of corrective action alternatives in the corrective action decision document.

Publisher Correction

DEFF Research Database (Denmark)

Turcot, Valérie; Lu, Yingchang; Highland, Heather M

2018-01-01

In the published version of this paper, the name of author Emanuele Di Angelantonio was misspelled. This error has now been corrected in the HTML and PDF versions of the article.......In the published version of this paper, the name of author Emanuele Di Angelantonio was misspelled. This error has now been corrected in the HTML and PDF versions of the article....

Black holes in higher dimensional gravity theory with corrections quadratic in curvature

International Nuclear Information System (INIS)

Frolov, Valeri P.; Shapiro, Ilya L.

2009-01-01

Static spherically symmetric black holes are discussed in the framework of higher dimensional gravity with quadratic in curvature terms. Such terms naturally arise as a result of quantum corrections induced by quantum fields propagating in the gravitational background. We focus our attention on the correction of the form C 2 =C αβγδ C αβγδ . The Gauss-Bonnet equation in four-dimensional spacetime enables one to reduce this term in the action to the terms quadratic in the Ricci tensor and scalar curvature. As a result the Schwarzschild solution which is Ricci flat will be also a solution of the theory with the Weyl scalar C 2 correction. An important new feature of the spaces with dimension D>4 is that in the presence of the Weyl curvature-squared term a necessary solution differs from the corresponding 'classical' vacuum Tangherlini metric. This difference is related to the presence of secondary or induced hair. We explore how the Tangherlini solution is modified by 'quantum corrections', assuming that the gravitational radius r 0 is much larger than the scale of the quantum corrections. We also demonstrated that finding a general solution beyond the perturbation method can be reduced to solving a single third order ordinary differential equation (master equation).

NbF5 and TaF5: Assignment of 19F NMR resonances and chemical bond analysis from GIPAW calculations

International Nuclear Information System (INIS)

Biswal, Mamata; Body, Monique; Legein, Christophe; Sadoc, Aymeric; Boucher, Florent

2013-01-01

The 19 F isotropic chemical shifts (δ iso ) of two isomorphic compounds, NbF 5 and TaF 5 , which involve six nonequivalent fluorine sites, have been experimentally determined from the reconstruction of 1D 19 F MAS NMR spectra. In parallel, the corresponding 19 F chemical shielding tensors have been calculated using the GIPAW method for both experimental and DFT-optimized structures. Furthermore, the [M 4 F 20 ] units of NbF 5 and TaF 5 being held together by van der Waals interactions, the relevance of Grimme corrections to the DFT optimization processes has been evaluated. However, the semi-empirical dispersion correction term introduced by such a method does not show any significant improvement. Nonetheless, a complete and convincing assignment of the 19 F NMR lines of NbF 5 and TaF 5 is obtained, ensured by the linearity between experimental 19 F δ iso values and calculated 19 F isotropic chemical shielding σ iso values. The effects of the geometry optimizations have been carefully analyzed, confirming among other matters, the inaccuracy of the experimental structure of NbF 5 . The relationships between the fluorine chemical shifts, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the length of the M–F bonds have been established. Additionally, for three of the 19 F NMR lines of NbF 5 , distorted multiplets, arising from 1 J-coupling and residual dipolar coupling between the 19 F and 93 Nb nuclei, were simulated yielding to values of 93 Nb– 19 F 1 J-coupling for the corresponding fluorine sites. - Graphical abstract: The complete assignment of the 19 F NMR lines of NbF 5 and TaF 5 allow establishing relationships between the 19 F δ iso values, the nature of the fluorine atoms (bridging or terminal), the position of the terminal ones (opposite or perpendicular to the bridging ones), the fluorine charges, the ionicity and the

Natural Gene Therapy in Dystrophic Epidermolysis Bullosa

NARCIS (Netherlands)

van den Akker, Peter C.; Nijenhuis, Albertine; Hofstra, Robert M. W.; Jonkman, Marcel F.; Pasmooij, Anna M. G.; Meijer, G.

Background: Dystrophic epidermolysis bullosa is a genetic blistering disorder caused by mutations in the type VII collagen gene, COL7A1. In revertant mosaicism, germline mutations are corrected by somatic events resulting in a mosaic disease distribution. This "natural gene therapy" phenomenon long

What hadron collider is required to discover or falsify natural supersymmetry?

Science.gov (United States)

Baer, Howard; Barger, Vernon; Gainer, James S.; Huang, Peisi; Savoy, Michael; Serce, Hasan; Tata, Xerxes

2017-11-01

Weak scale supersymmetry (SUSY) remains a compelling extension of the Standard Model because it stabilizes the quantum corrections to the Higgs and W , Z boson masses. In natural SUSY models these corrections are, by definition, never much larger than the corresponding masses. Natural SUSY models all have an upper limit on the gluino mass, too high to lead to observable signals even at the high luminosity LHC. However, in models with gaugino mass unification, the wino is sufficiently light that supersymmetry discovery is possible in other channels over the entire natural SUSY parameter space with no worse than 3% fine-tuning. Here, we examine the SUSY reach in more general models with and without gaugino mass unification (specifically, natural generalized mirage mediation), and show that the high energy LHC (HE-LHC), a pp collider with √{ s } = 33 TeV, will be able to detect the SUSY signal over the entire allowed mass range. Thus, HE-LHC would either discover or conclusively falsify natural SUSY with better than 3% fine-tuning using a conservative measure that allows for correlations among the model parameters.

Isolation of plutonium physical--chemical states from natural waters

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