Chemical Characteristics of Six Woody Species for Alley Cropping

Directory of Open Access Journals (Sweden)

Mosango, M.

1999-01-01

Full Text Available Leaves of six woody species (Leguminosae for alley cropping have been chemically analysed in order to evaluate their potentiality in the restoration of soil fertility. These species are : Acacia mangium, Cajanus cajan, Flemingia grahamiana, F. macrophylla, Leucaena leucocephala and Sesbania sesban. Nitrogen, carbon, cellulose, hemicellulose, lignin, active fraction and ash contents were determined as well as C/N and L/N ratios. AH these species appear to be rich in N and C. Fiber contents (cellulose, hemicellulose and lignin are globally low but variable from one species to another. C/N and L/N ratios are globally low. Among these species, Leucaena leucocephala and Senna spectabilis show the lowest C/N and LIN ratios. Such low values of C/N and L/N are normally found in species with rapid decomposition of organic matter.

Chemical investigation on wood tree species in a temperate forest, east-northern Romania

Directory of Open Access Journals (Sweden)

Teaca, C. A.

2007-02-01

Full Text Available A quantitative evaluation of wood chemical components for some tree species in a forest area from east-northern Romania is presented here, through a comparative study from 1964 to 2000. Investigation upon the wood tree-rings in a Quercus robur L. tree species, as a dominant species, as regards its chemical composition and structure of the natural polymer constituents - cellulose and lignin - was also performed through chemical methods to separate the main wood components, FT-IR spectroscopy, and thermogravimetry. Having in view the impact of climate and external factors (such as pollutant depositions, some possible correlations between wood chemical composition and its further use can be made. The FT-IR spectra give evidence of differences in the frequency domains of 3400-2900 cm-1 and 1730-1640 cm-1, due to some interactions between the chemical groups (OH, C=O. The crystallinity index of cellulose presents variations in the oak wood tree-rings. Thermogravimetry analyses show different behaviour of cellulose at thermal decomposition, as a function of radial growth and tree’s height. A preliminary chemical investigation of oak wood sawdust shows a relatively high content of mineral elements (ash, compared with a previous study performed in 1964, fact that may indicate an intense drying process of the oak tree, a general phenomenon present in European forests for this species.

Chemical review and studies related to species from the genus Tynanthus (Bignoniaceae

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Fernanda Colombi Cansian

2015-09-01

Full Text Available Species from the Bignoniaceae Family, including the genus Tynanthus, are very prevalent in the tropical Americas, with specimens found in a large part of the Brazilian territory. These plants are commonly used in traditional medicine for several purposes, and some studies have described their chemical structure, in addition to other reports related to some species from this genus. This review aimed to gather information from published works concerning species of the genus Tynanthus, as well as to detect flaws in research related to these plants, which may have great biological and pharmaceutical importance. Also, this review points out some common chemical characteristics of these species, providing information that may help new researchers to improve their knowledge about these plants.

Identification of chemicals relevant to the Chemical Weapons Convention using the novel sample-preparation methods and strategies of the Mobile Laboratory of the Organization for the Prohibition of Chemical Weapons

NARCIS (Netherlands)

Terzic, O.; Gregg, H.; de Voogt, P.

2015-01-01

The standard approach to on-site sample preparation for gas chromatography-mass spectrometry analysis of chemicals relevant to the Chemical Weapons Convention provides relatively good coverage of the target analytes, but it suffers from a number of drawbacks, such as low sample throughput, use of

Application of recombinant antigen 5 allergens from seven allergy-relevant Hymenoptera species in diagnostics

DEFF Research Database (Denmark)

Schiener, Maximilian; Eberlein, Bernadette; Moreno Aguilar, Carmen

2017-01-01

BACKGROUND: Hymenoptera stings can cause severe anaphylaxis in untreated venom-allergic patients. A correct diagnosis regarding the relevant species for immunotherapy is often hampered by clinically irrelevant cross-reactivity. In vespid venom allergy, cross-reactivity between venoms of different...

High-performance metabolic profiling of plasma from seven mammalian species for simultaneous environmental chemical surveillance and bioeffect monitoring.

Science.gov (United States)

Park, Youngja H; Lee, Kichun; Soltow, Quinlyn A; Strobel, Frederick H; Brigham, Kenneth L; Parker, Richard E; Wilson, Mark E; Sutliff, Roy L; Mansfield, Keith G; Wachtman, Lynn M; Ziegler, Thomas R; Jones, Dean P

2012-05-16

High-performance metabolic profiling (HPMP) by Fourier-transform mass spectrometry coupled to liquid chromatography gives relative quantification of thousands of chemicals in biologic samples but has had little development for use in toxicology research. In principle, the approach could be useful to detect complex metabolic response patterns to toxicologic exposures and to detect unusual abundances or patterns of potentially toxic chemicals. As an initial study to develop these possible uses, we applied HPMP and bioinformatics analysis to plasma of humans, rhesus macaques, marmosets, pigs, sheep, rats and mice to determine: (1) whether more chemicals are detected in humans living in a less controlled environment than captive species and (2) whether a subset of plasma chemicals with similar inter-species and intra-species variation could be identified for use in comparative toxicology. Results show that the number of chemicals detected was similar in humans (3221) and other species (range 2537-3373). Metabolite patterns were most similar within species and separated samples according to family and order. A total of 1485 chemicals were common to all species; 37% of these matched chemicals in human metabolomic databases and included chemicals in 137 out of 146 human metabolic pathways. Probability-based modularity clustering separated 644 chemicals, including many endogenous metabolites, with inter-species variation similar to intra-species variation. The remaining chemicals had greater inter-species variation and included environmental chemicals as well as GSH and methionine. Together, the data suggest that HPMP provides a platform that can be useful within human populations and controlled animal studies to simultaneously evaluate environmental exposures and biological responses to such exposures. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Various chemical strategies to deceive ants in three Arhopala species (lepidoptera: Lycaenidae exploiting Macaranga myrmecophytes.

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Yoko Inui

Full Text Available Macaranga myrmecophytes (ant-plants are generally well protected from herbivore attacks by their symbiotic ants (plant-ants. However, larvae of Arhopala (Lepidoptera: Lycaenidae species survive and develop on specific Macaranga ant-plant species without being attacked by the plant-ants of their host species. We hypothesized that Arhopala larvae chemically mimic or camouflage themselves with the ants on their host plant so that the larvae are accepted by the plant-ant species of their host. Chemical analyses of cuticular hydrocarbons showed that chemical congruency varied among Arhopala species; A. dajagaka matched well the host plant-ants, A. amphimuta did not match, and unexpectedly, A. zylda lacked hydrocarbons. Behaviorally, the larvae and dummies coated with cuticular chemicals of A. dajagaka were well attended by the plant-ants, especially by those of the host. A. amphimuta was often attacked by all plant-ants except for the host plant-ants toward the larvae, and those of A. zylda were ignored by all plant-ants. Our results suggested that conspicuous variations exist in the chemical strategies used by the myrmecophilous butterflies that allow them to avoid ant attack and be accepted by the plant-ant colonies.

Chemical characterization of 21 species of marine macroalgae common in Norwegian waters: benefits of and limitations to their potential use in food and feed.

Science.gov (United States)

Biancarosa, Irene; Belghit, Ikram; Bruckner, Christian G; Liland, Nina S; Waagbø, Rune; Amlund, Heidi; Heesch, Svenja; Lock, Erik-Jan

2018-03-01

In the past few years, much effort has been invested into developing a new blue economy based on harvesting, cultivating and processing marine macroalgae in Norway. Macroalgae have high potential for a wide range of applications, e.g. as source of pharmaceuticals, production of biofuels or as food and feed. However, data on the chemical composition of macroalgae from Norwegian waters are scant. This study was designed to characterize the chemical composition of 21 algal species. Both macro- and micronutrients were analysed. Concentrations of heavy metals and the metalloid arsenic in the algae were also quantified. The results confirm that marine macroalgae contain nutrients which are relevant for both human and animal nutrition, the concentrations whereof are highly dependent on species. Although heavy metals and arsenic were detected in the algae studied, concentrations were mostly below maximum allowed levels set by food and feed legislation in the EU. This study provides chemical data on a wide range of algal species covering the three taxonomic groups (brown, red and green algae) and discusses both benefits of and potential limitations to their use for food and feed purposes. © 2017 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry. © 2017 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

Physico-chemical thresholds in the distribution of fish species among French lakes

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Roubeix Vincent

2017-01-01

Full Text Available The management of lakes requires the definition of physico-chemical thresholds to be used for ecosystem preservation or restoration. According to the European Water Framework Directive, the limits between physico-chemical quality classes must be set consistently with biological quality elements. One way to do this consists in analyzing the response of aquatic communities to environmental gradients across monitoring sites and in identifying ecological community thresholds, i.e. zones in the gradients where the species turnover is the highest. In this study, fish data from 196 lakes in France were considered to derive ecological thresholds using the multivariate method of gradient forest. The analysis was performed on 25 species and 36 environmental parameters. The results revealed the highest importance of maximal water temperature in the distribution of fish species. Other important parameters included geographical factors, dissolved organic carbon concentration and water transparency, while nutrients appeared to have low influence. In spite of the diversity of species responses to the gradients, community thresholds were detected in the gradients of the most important physico-chemical parameters and of total phosphorus and nitrate concentrations as well. The thresholds identified in such macroecological study may highlight new patterns of species natural distribution and improve niche characterization. Moreover, when factors that may be influenced by human activities are involved, the thresholds could be used to set environmental standards for lake preservation.

Novel view on predicting acute toxicity: Decomposing toxicity data in species vulnerability and chemical potency.

NARCIS (Netherlands)

Jager, D.T.; Posthuma, L.; Zwart, D.D.; van de Meent, D.

2007-01-01

Chemical risk assessment usually applies empirical methods to predict toxicant effects on different species. We propose a more mechanism-oriented approach, and introduce a method to decompose toxicity data in a contribution from the chemical (potency) and from the exposed species (vulnerability). We

Chemical characterization of 21 species of marine macroalgae common in Norwegian waters: benefits of and limitations to their potential use in food and feed

Science.gov (United States)

Biancarosa, Irene; Belghit, Ikram; Bruckner, Christian G; Liland, Nina S; Waagbø, Rune; Amlund, Heidi; Heesch, Svenja

2018-01-01

Abstract BACKGROUND In the past few years, much effort has been invested into developing a new blue economy based on harvesting, cultivating and processing marine macroalgae in Norway. Macroalgae have high potential for a wide range of applications, e.g. as source of pharmaceuticals, production of biofuels or as food and feed. However, data on the chemical composition of macroalgae from Norwegian waters are scant. This study was designed to characterize the chemical composition of 21 algal species. Both macro‐ and micronutrients were analysed. Concentrations of heavy metals and the metalloid arsenic in the algae were also quantified. RESULTS The results confirm that marine macroalgae contain nutrients which are relevant for both human and animal nutrition, the concentrations whereof are highly dependent on species. Although heavy metals and arsenic were detected in the algae studied, concentrations were mostly below maximum allowed levels set by food and feed legislation in the EU. CONCLUSION This study provides chemical data on a wide range of algal species covering the three taxonomic groups (brown, red and green algae) and discusses both benefits of and potential limitations to their use for food and feed purposes. © 2017 The Authors. Journal of The Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry. PMID:29193189

Personalized Education Approaches for Chemical Engineering and Relevant Majors

Directory of Open Access Journals (Sweden)

Zhao Feng-qing

2016-01-01

Full Text Available Personalized education has drawn increasing attention in universities these years. With the purpose of improving the studentss’ comprehensive ability and developing teaching strategies to ensure students’ education is tailored to their needs, we proposed Three-Stage Approach (TSA to enhance personalized education for chemical engineering and relevant majors: professional tutorial system--equipping with professional guidance teachers for freshman students to guide their learning activities and provide professional guidance; open experimental project--setting up open experimental projects for sophomore and junior students to choose freely; individualized education module--setting up 10 different individualized education modules for senior students to select. After years of practice, the personalized education model is improved day by day and proved effective and fruitful.

Electrochemical corrosion studies on a selected carbon steel for application in nuclear waste disposal containers: Influence of chemical species in brines on corrosion

International Nuclear Information System (INIS)

Farvaque-Bera, A.M.; Smailos, E.

1994-04-01

In previous corrosion studies, carbon steels were identified as promising materials for the manufacture of long-lived high-level waste containers that could act as an engineered barrier in a rock-salt repository. In this paper, the influence of chemical species, potentially present in salt brines, on the electrochemical corrosion behavior of the preselected fine-grained steel TStE 355 was studied. The steel was examined at 90 C in a disposal relevant NaCl-rich brine containing various species (Br - , I - , Cu 2+ , Mn 2+ , S 2- , B(OH )4 - and Fe 3+ ) at concentrations between 10 -5 M/I and 10 -1 M/I. (orig.) [de

Use of chemical elements of 1A family by tropical tree species

International Nuclear Information System (INIS)

Carmo, Andrius M.J.; Paiva, Jose Daniel S. de; Magalhaes, Marcelo R.L. de; Franca, Elvis J. de; Hazin, Clovis A.; Bacchi, Marcio A.; Fernandes, Elisabete A.N.

2013-01-01

This study aims to evaluate the distribution of K, Rb and Cs in leaves of trees of the Atlantic Forest through studies of correlation between the chemical elements. For this, we used the Instrumental Neutron Activation Analysis for the quantification of the chemical elements. The concentration ranges found were 6700-24000 mg / kg for K, 16 to 72mg / kg for Rb and 0.08 to 0,92mg / kg for Cs. As Rb has chemical similarity to K, is easily absorbed by plants, leading to a high value (0.9) of the Pearson correlation. For the correlation between K and Cs, no significant values were detected except for some species of the Myrtaceae family. However, average correlations (0.6 < r <0.8) between Rb-Cs were obtained for seven plant species of different families. The absence of a specific pattern using of K, Rb and Cs by plants showed great complexity in the distribution of chemical elements in the ecosystem

Plant Species Rather Than Climate Greatly Alters the Temporal Pattern of Litter Chemical Composition During Long-Term Decomposition

Science.gov (United States)

Li, Yongfu; Chen, Na; Harmon, Mark E.; Li, Yuan; Cao, Xiaoyan; Chappell, Mark A.; Mao, Jingdong

2015-10-01

A feedback between decomposition and litter chemical composition occurs with decomposition altering composition that in turn influences the decomposition rate. Elucidating the temporal pattern of chemical composition is vital to understand this feedback, but the effects of plant species and climate on chemical changes remain poorly understood, especially over multiple years. In a 10-year decomposition experiment with litter of four species (Acer saccharum, Drypetes glauca, Pinus resinosa, and Thuja plicata) from four sites that range from the arctic to tropics, we determined the abundance of 11 litter chemical constituents that were grouped into waxes, carbohydrates, lignin/tannins, and proteins/peptides using advanced 13C solid-state NMR techniques. Decomposition generally led to an enrichment of waxes and a depletion of carbohydrates, whereas the changes of other chemical constituents were inconsistent. Inconsistent convergence in chemical compositions during decomposition was observed among different litter species across a range of site conditions, whereas one litter species converged under different climate conditions. Our data clearly demonstrate that plant species rather than climate greatly alters the temporal pattern of litter chemical composition, suggesting the decomposition-chemistry feedback varies among different plant species.

Environmental mixtures of nanomaterials and chemicals: The Trojan-horse phenomenon and its relevance for ecotoxicity.

Science.gov (United States)

Naasz, Steffi; Altenburger, Rolf; Kühnel, Dana

2018-04-22

The usage of engineered nanomaterials (NM) offers many novel products and applications with advanced features, but at the same time raises concerns with regard to potential adverse biological effects. Upon release and emission, NM may interact with chemicals in the environment, potentially leading to a co-exposure of organisms and the occurrence of mixture effects. A prominent idea is that NM may act as carriers of chemicals, facilitating and enhancing the entry of substances into cells or organisms, subsequently leading to an increased toxicity. In the literature, the term 'Trojan-horse effect' describes this hypothesis. The relevance of this mechanism for organisms is, however, unclear as yet. Here, a review has been performed to provide a more systematic picture on existing evidence. It includes 151 experimental studies investigating the exposure of various NM and chemical mixtures in ecotoxicological in vitro and in vivo model systems. The papers retrieved comprised studies investigating (i) uptake, (ii) toxicity and (iii) investigations considering both, changes in substance uptake and toxicity upon joint exposure of a chemical with an NM. A closer inspection of the studies demonstrated that the existing evidence for interference of NM-chemical mixture exposure with uptake and toxicity points into different directions compared to the original Trojan-horse hypothesis. We could discriminate at least 7 different categories to capture the evidence ranging from no changes in uptake and toxicity to an increase in uptake and toxicity upon mixture exposure. Concluding recommendations for the consideration of relevant processes are given, including a proposal for a nomenclature to describe NM-chemical mixture interactions in consistent terms. Copyright © 2018 The Authors. Published by Elsevier B.V. All rights reserved.

Identification of medically relevant Nocardia species with an abbreviated battery of tests.

Science.gov (United States)

Kiska, Deanna L; Hicks, Karen; Pettit, David J

2002-04-01

Identification of Nocardia to the species level is useful for predicting antimicrobial susceptibility patterns and defining the pathogenicity and geographic distribution of these organisms. We sought to develop an identification method which was accurate, timely, and employed tests which would be readily available in most clinical laboratories. We evaluated the API 20C AUX yeast identification system as well as several biochemical tests and Kirby-Bauer susceptibility patterns for the identification of 75 isolates encompassing the 8 medically relevant Nocardia species. There were few biochemical reactions that were sufficiently unique for species identification; of note, N. nova were positive for arylsulfatase, N. farcinica were positive for opacification of Middlebrook 7H11 agar, and N. brasiliensis and N. pseudobrasiliensis were the only species capable of liquefying gelatin. API 20C sugar assimilation patterns were unique for N. transvalensis, N. asteroides IV, and N. brevicatena. There was overlap among the assimilation patterns for the other species. Species-specific patterns of susceptibility to gentamicin, tobramycin, amikacin, and erythromycin were obtained for N. nova, N. farcinica, and N. brevicatena, while there was overlap among the susceptibility patterns for the other isolates. No single method could identify all Nocardia isolates to the species level; therefore, a combination of methods was necessary. An algorithm utilizing antibiotic susceptibility patterns, citrate utilization, acetamide utilization, and assimilation of inositol and adonitol accurately identified all isolates. The algorithm was expanded to include infrequent drug susceptibility patterns which have been reported in the literature but which were not seen in this study.

Computing multi-species chemical equilibrium with an algorithm based on the reaction extents

DEFF Research Database (Denmark)

Paz-Garcia, Juan Manuel; Johannesson, Björn; Ottosen, Lisbeth M.

2013-01-01

-negative constrains. The residual function, representing the distance to the equilibrium, is defined from the chemical potential (or Gibbs energy) of the chemical system. Local minimums are potentially avoided by the prioritization of the aqueous reactions with respect to the heterogeneous reactions. The formation......A mathematical model for the solution of a set of chemical equilibrium equations in a multi-species and multiphase chemical system is described. The computer-aid solution of model is achieved by means of a Newton-Raphson method enhanced with a line-search scheme, which deals with the non...... and release of gas bubbles is taken into account in the model, limiting the concentration of volatile aqueous species to a maximum value, given by the gas solubility constant.The reaction extents are used as state variables for the numerical method. As a result, the accepted solution satisfies the charge...

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

Energy Technology Data Exchange (ETDEWEB)

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

2008-11-15

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

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

International Nuclear Information System (INIS)

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

2008-01-01

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

Chemical profiles of body surfaces and nests from six Bornean stingless bee species.

Science.gov (United States)

Leonhardt, Sara Diana; Blüthgen, Nico; Schmitt, Thomas

2011-01-01

Stingless bees (Apidae: Meliponini) are the most diverse group of Apid bees and represent common pollinators in tropical ecosystems. Like honeybees they live in large eusocial colonies and rely on complex chemical recognition and communication systems. In contrast to honeybees, their ecology and especially their chemical ecology have received only little attention, particularly in the Old World. We previously have analyzed the chemical profiles of six paleotropical stingless bee species from Borneo and revealed the presence of species-specific cuticular terpenes- an environmentally derived compound class so far unique among social insects. Here, we compared the bees' surface profiles to the chemistry of their nest material. Terpenes, alkanes, and alkenes were the dominant compound groups on both body surfaces and nest material. However, bee profiles and nests strongly differed in their chemical composition. Body surfaces thus did not merely mirror nests, rendering a passive compound transfer from nests to bees unlikely. The difference between nests and bees was particularly pronounced when all resin-derived compounds (terpenes) were excluded and only genetically determined compounds were considered. When terpenes were included, bee profiles and nest material still differed, because whole groups of terpenes (e.g., sesquiterpenes) were found in nest material of some species, but missing in their chemical profile, indicating that bees are able to influence the terpene composition both in their nests and on their surfaces.

Analysis of chemical constituents in Cistanche species.

Science.gov (United States)

Jiang, Yong; Tu, Peng-Fei

2009-03-13

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

Characterization of Non-pertechnetate Species Relevant to the Hanford Tank Waste

Energy Technology Data Exchange (ETDEWEB)

Chatterjee, Sayandev [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Andersen, Amity [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Du, Yingge [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Engelhard, Mark H. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hall, Gabriel B. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Levitskaia, Tatiana G. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Lukens, Wayne W. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Shutthanandan, Vaithiyalingam [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Walter, Eric D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Washton, Nancy M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2017-03-27

Among radioactive constituents present in the tank waste stored at the U.S. DOE Hanford Site, technetium-99 (Tc), which is generated from the fission of ²³⁵U and ²³⁹Pu in high yields, presents a unique challenge in that it has a long half-life ( = 292 keV; T1/2 = 2.11105 y) and exists predominately in soluble forms in the liquid supernatant and salt cake fractions of the waste. In the strongly alkaline environments prevalent in most of the tank waste, its dominant chemical form is pertechnetate (TcO₄^-, oxidation state +7). However, attempts to remove Tc from the Hanford tank waste using ion-exchange processes specific to TcO₄^- only met with limited success, particularly when processing tank waste samples containing elevated concentrations of organic complexants. This suggests that a significant fraction of the soluble Tc can be present as low-valent Tc (oxidation state < +7) (non-pertechnetate). The chemical identities of these non-pertechnetate species are poorly understood. Previous analysis of the SY-101 and SY-103 tank waste samples provided strong evidence that non-pertechnetate can be comprised of [fac-Tc(CO)₃]⁺ complexes containing Tc in oxidation state +1 (Lukens et al. 2004). During the last three years, our team has expanded this work and demonstrated that high-ionic-strength solutions typifying tank waste supernatants promote oxidative stability of the [fac-Tc(CO)₃]⁺ species (Rapko et al. 2013a; 2013b; Levitskaia et al. 2014; Chatterjee et al. 2015). Obtained results also suggest possible stabilization of Tc(VI) and potentially Tc(IV) oxidation states in the high-ionic-strength alkaline matrices particularly in the presence of organic chelators, so that Tc(IV, VI) can serve as important redox intermediates facilitating the reduction of Tc(VII) to Tc(I). Designing strategies for effective Tc management, including separation and immobilization

Application of recombinant antigen 5 allergens from seven allergy-relevant Hymenoptera species in diagnostics.

Science.gov (United States)

Schiener, M; Eberlein, B; Moreno-Aguilar, C; Pietsch, G; Serrano, P; McIntyre, M; Schwarze, L; Russkamp, D; Biedermann, T; Spillner, E; Darsow, U; Ollert, M; Schmidt-Weber, C B; Blank, S

2017-01-01

Hymenoptera stings can cause severe anaphylaxis in untreated venom-allergic patients. A correct diagnosis regarding the relevant species for immunotherapy is often hampered by clinically irrelevant cross-reactivity. In vespid venom allergy, cross-reactivity between venoms of different species can be a diagnostic challenge. To address immunological IgE cross-reactivity on molecular level, seven recombinant antigens 5 of the most important Vespoidea groups were assessed by different diagnostic setups. The antigens 5 of yellow jackets, hornets, European and American paper wasps, fire ants, white-faced hornets, and Polybia wasps were recombinantly produced in insect cells, immunologically and structurally characterized, and their sIgE reactivity assessed by ImmunoCAP, ELISA, cross-inhibition, and basophil activation test (BAT) in patients with yellow jacket or Polistes venom allergy of two European geographical areas. All recombinant allergens were correctly folded and structural models and patient reactivity profiles suggested the presence of conserved and unique B-cell epitopes. All antigens 5 showed extensive cross-reactivity in sIgE analyses, inhibition assays, and BAT. This cross-reactivity was more pronounced in ImmunoCAP measurements with venom extracts than in sIgE analyses with recombinant antigens 5. Dose-response curves with the allergens in BAT allowed a differentiated individual dissection of relevant sensitization. Due to extensive cross-reactivity in various diagnostic settings, antigens 5 are inappropriate markers for differential sIgE diagnostics in vespid venom allergy. However, the newly available antigens 5 from further vespid species and the combination of recombinant allergen-based sIgE measurements with BAT represents a practicable way to diagnose clinically relevant sensitization in vespid venom allergy. © 2016 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Chemical, Bioactive, and Antioxidant Potential of Twenty Wild Culinary Mushroom Species

OpenAIRE

Sharma, S. K.; Gautam, N.

2015-01-01

The chemical, bioactive, and antioxidant potential of twenty wild culinary mushroom species being consumed by the people of northern Himalayan regions has been evaluated for the first time in the present study. Nutrients analyzed include protein, crude fat, fibres, carbohydrates, and monosaccharides. Besides, preliminary study on the detection of toxic compounds was done on these species. Bioactive compounds evaluated are fatty acids, amino acids, tocopherol content, carotenoids (β-carotene, ...

Novel chemical species of Santilli’s magnegas in hadronic chemistry

International Nuclear Information System (INIS)

Zodape, Sangesh P.

2015-01-01

In this paper we have reviewed the novel chemical species, the magnecules, synthesized by Santilli that comprises of individual atoms, radicals and ordinary molecules bonded through the magnetic attractive forces originating out of toroidal polarization of the orbitals of atomic electrons under strong magnetic fields. The main focus of this paper is to review the fabulous applications of Santill’s magnegas. The novel magnecular species of hydrogen and oxygen find their place in fuel industry especially in fuel cells with the increase in its power, efficiency and total output. In this account we have also considered the flame temperature report of the new magnecular species of gases. We emphasize the importance of this new field

Novel chemical species of Santilli’s magnegas in hadronic chemistry

Energy Technology Data Exchange (ETDEWEB)

Zodape, Sangesh P. [Department of Chemistry, Visvesvaraya National Institute of Technology, Nagpur – 440 010, India E-mail: sangesh02@gmail.com (India)

2015-03-10

In this paper we have reviewed the novel chemical species, the magnecules, synthesized by Santilli that comprises of individual atoms, radicals and ordinary molecules bonded through the magnetic attractive forces originating out of toroidal polarization of the orbitals of atomic electrons under strong magnetic fields. The main focus of this paper is to review the fabulous applications of Santill’s magnegas. The novel magnecular species of hydrogen and oxygen find their place in fuel industry especially in fuel cells with the increase in its power, efficiency and total output. In this account we have also considered the flame temperature report of the new magnecular species of gases. We emphasize the importance of this new field.

Comparison of the distribution of some thallium chemical species in mice

International Nuclear Information System (INIS)

Petitjean, Francoise.

Scintigraphic images obtained after injection of radioactive thallium show a strong uptake on the kidneys but also on the intestines, which means that quantitative interpretation of the kidney images is troubled by the superposition of these organs. This study is an attempt to find a chemical form of thallium tending less to fix on the intestinal mucous membrane but keeping its affinity for the medullary zone of the kidney. Various agents forming stable complexes with the metal were investigated. Radiothallium is generally used in the chemical form of monovalent thallium chloride. However the degree of oxidation I is unsuitable for stable complex formation and therefore trivalent thallium was also used. Separation of Tl(I) and Tl(III) with ion exchange resin showed the instability of trivalent chloride at low concentration and when the solution is more than 2 hours old the trivalent thallium solutions injected are 10 -5 M. Calculation of the complex formation constants revealed the absence or formation of monovalent thallium complexes. In all monovalent thallium solutions (with or without carrier, with EDTA or HEDTA) the predominant chemical species is Tl + . In the case of trivalent thallium three solutions with carrier were used; the predominant species is TlCl 6 3- when the solution contains Cl - and EDTA and TlEDTA when Cl - , NO 3 - and EDTA are present. These solutions were injected intraveinously into mice in order to study the radiothallium distribution in the kidney and intestine by comparison with that of TlCl while the chemical species varied from one preparation to another no great difference in the radiothallium distribution was observed [fr

Concentrations and chemical species of arsenic in human urine and hair

Energy Technology Data Exchange (ETDEWEB)

Yamato, Naohisa (St. Marianna Univ. School of Medicine, Kawasaki (Japan))

1988-05-01

Because marine products are rich in arsenic, the concentration of arsenic in the human urine varies greatly with the state of ingestion of marine products. It has been revealed that inorganic arsenic is methylated in the human body to form MAA (methylarsonic acid) and DMAA (dimethylarsinic acid). It appears therefore that the arsenic present in the human urine is a mixture of the arsenic originating from marine products and the arsenic metabolized in vivo. Recent studies have shown that inorganic arsenic and methylarsenic compounds are quite different in toxicity and effect on the living body due to their difference in chemical species. Finding the chemical species of arsenic in the urine and hair of normal subjects will therefore provide valuable basal data for the biological monitoring of arsenic exposure and for toxicological studies of arsenic.

Some inconvenient truths about biosignatures involving two chemical species on Earth-like exoplanets.

Science.gov (United States)

Rein, Hanno; Fujii, Yuka; Spiegel, David S

2014-05-13

The detection of strong thermochemical disequilibrium in the atmosphere of an extrasolar planet is thought to be a potential biosignature. In this article we present a previously unidentified kind of false positive that can mimic a disequilibrium or any other biosignature that involves two chemical species. We consider a scenario where the exoplanet hosts a moon that has its own atmosphere and neither of the atmospheres is in chemical disequilibrium. Our results show that the integrated spectrum of the planet and the moon closely resembles that of a single object in strong chemical disequilibrium. We derive a firm limit on the maximum spectral resolution that can be obtained for both directly imaged and transiting planets. The spectral resolution of even idealized space-based spectrographs that might be achievable in the next several decades is in general insufficient to break the degeneracy. Both chemical species can only be definitively confirmed in the same object if absorption features of both chemicals can be unambiguously identified and their combined depth exceeds 100%.

Important sources and chemical species of ambient fine particles related to adverse health effects

Science.gov (United States)

Heo, J.

2017-12-01

Although many epidemiological studies have reported that exposure to ambient fine particulate matter (PM2.5) has been linked to increases in mortality and mobidity health outcomes, the key question of which chemical species and sources of PM2.5 are most harmful to public health remains unanswered in the air pollution research area. This study was designed to address the key question with evaluating the risks of exposure to chemical species and source-specific PM2.5 mass on morbidity. Hourly measurements of PM2.5 mass and its major chemical species, including organic carbon, elemental carbon, ions, and trace elements, were observed from January 1 to December 31, 2013 at four of the PM2.5 supersites in urban environments in Korea and the reuslts were used in a positive matrix factorization to estimate source contributions to PM2.5 mass. Nine sources, including secondary sulfate, secondary nitrate, mobile, biomass burning, roadway emission, industry, oil combustion, soil, and aged sea salt, were identified and secondary inorganic aerosol factors (i.e. secondary sulfalte, and secondary nitrate) were the dominant sources contributing to 40% of the total PM2.5 mass in the study region. In order to evaluate the risks of exposure to chemical species and sources of PM2.5 on morbidity, emergency room visits for cardivascular disease and respiratory disease were considered. Hourly health outcomes were compared with hourly measurments of the PM2.5 chemical species and sources using a poission generalized linear model incorporating natural splines, as well as time-stratified case-crossover design. The PM2.5 mass and speveral chemical components, such as organic carbon, elemetal carbon, zinc, and potassium, were strongly associated with morbidity. Source-apporitionmened PM2.5 mass derived from biomass burning, and mobile sources, was significantly associated with cardiovascular and respiratory diseases. The findings represent that local combustion may be particularly important

Chemical and mechanical changes during leaf expansion of four woody species of dry Restinga woodland.

Science.gov (United States)

Schlindwein, C C D; Fett-Neto, A G; Dillenburg, L R

2006-07-01

Young leaves are preferential targets for herbivores, and plants have developed different strategies to protect them. This study aimed to evaluate different leaf attributes of presumed relevance in protection against herbivory in four woody species (Erythroxylum argentinum, Lithrea brasiliensis, Myrciaria cuspidata, and Myrsine umbellata), growing in a dry restinga woodland in southern Brazil. Evaluation of leaf parameters was made through single-point sampling of leaves (leaf mass per area and leaf contents of nitrogen, carbon, and pigments) at three developmental stages and through time-course sampling of expanding leaves (area and strength). Leaves of M. umbellata showed the highest leaf mass per area (LMA), the largest area, and the longest expansion period. On the other extreme, Myrc. cuspidata had the smallest LMA and leaf size, and the shortest expansion period. Similarly to L. brasiliensis, it displayed red young leaves. None of the species showed delayed-greening, which might be related to the high-irradiance growth conditions. Nitrogen contents reduced with leaf maturity and reached the highest values in the young leaves of E. argentinum and Myrc. cuspidata and the lowest in M. umbellata. Each species seems to present a different set of protective attributes during leaf expansion. Myrciaria cuspidata appears to rely mostly on chemical defences to protect its soft leaves, and anthocyanins might play this role at leaf youth, while M. umbellata seems to invest more on mechanical defences, even at early stages of leaf growth, as well as on a low allocation of nitrogen to the leaves. The other species display intermediate characteristics.

Kaempferitrin from Uncaria guianensis (Rubiaceae) and its potential as a chemical marker for the species

Energy Technology Data Exchange (ETDEWEB)

Valente, Ligia M.M.; Liechocki, Sally; Barboza, Rodolfo S.; Paixao, Djavan da [Universidade Federal do Rio de Janeiro (UFRJ), RJ (Brazil). Inst. de Quimica], e-mail: valente@iq.ufrj.br; Bizarri, Carlos H.B.; Almeida, M. Beatriz S.; Benevides, Paulo J.C.; Siani, Antonio C. [Fundacao Oswaldo Cruz (FIOCRUZ), Rio de Janeiro, RJ (Brazil). Inst. de Tecnologia em Farmacos; Magalhaes, Alvicler [Universidade Estadual de Campinas (UNICAMP), SP (Brazil). Inst. de Quimica

2009-07-01

Uncaria tomentosa (Willd.) DC. and U. guianensis (Aubl.) Gmel., known as cat's claw, are large woody vines native to the Amazonian and Central American rain forests. The species contain, in different proportions, indole and oxindole alkaloids, triterpenoid glycosides, sterols and proanthocyanidins. U. tomentosa can be chemically identified by its oxindole alkaloid profile and content, whereas U. guianensis has no satisfactorily established chemical markers. This work describes, for the first time, the isolation of kaempferol-3,7-O-(a)-dirhamnoside (kaempferitrin) in Uncaria species. Screening for this compound in leaves, stems or bark of both species through TLC and HPLC-DAD-MS showed the presence of kaempferitrin only in the leaves and stems of U. guianensis, at a ratio almost thirty six times greater in the leaves than in the stems. These results reveal the selectivity of U. guianensis to produce this bioactive flavonoid glycoside, and suggest this compound as a potential chemical marker for the species.(author)

Kaempferitrin from Uncaria guianensis (Rubiaceae) and its potential as a chemical marker for the species

International Nuclear Information System (INIS)

Valente, Ligia M.M.; Liechocki, Sally; Barboza, Rodolfo S.; Paixao, Djavan da; Bizarri, Carlos H.B.; Almeida, M. Beatriz S.; Benevides, Paulo J.C.; Siani, Antonio C.; Magalhaes, Alvicler

2009-01-01

Uncaria tomentosa (Willd.) DC. and U. guianensis (Aubl.) Gmel., known as cat's claw, are large woody vines native to the Amazonian and Central American rain forests. The species contain, in different proportions, indole and oxindole alkaloids, triterpenoid glycosides, sterols and proanthocyanidins. U. tomentosa can be chemically identified by its oxindole alkaloid profile and content, whereas U. guianensis has no satisfactorily established chemical markers. This work describes, for the first time, the isolation of kaempferol-3,7-O-(a)-dirhamnoside (kaempferitrin) in Uncaria species. Screening for this compound in leaves, stems or bark of both species through TLC and HPLC-DAD-MS showed the presence of kaempferitrin only in the leaves and stems of U. guianensis, at a ratio almost thirty six times greater in the leaves than in the stems. These results reveal the selectivity of U. guianensis to produce this bioactive flavonoid glycoside, and suggest this compound as a potential chemical marker for the species.(author)

Chemical, Bioactive, and Antioxidant Potential of Twenty Wild Culinary Mushroom Species

Science.gov (United States)

Sharma, S. K.; Gautam, N.

2015-01-01

The chemical, bioactive, and antioxidant potential of twenty wild culinary mushroom species being consumed by the people of northern Himalayan regions has been evaluated for the first time in the present study. Nutrients analyzed include protein, crude fat, fibres, carbohydrates, and monosaccharides. Besides, preliminary study on the detection of toxic compounds was done on these species. Bioactive compounds evaluated are fatty acids, amino acids, tocopherol content, carotenoids (β-carotene, lycopene), flavonoids, ascorbic acid, and anthocyanidins. Fruitbodies extract of all the species was tested for different types of antioxidant assays. Although differences were observed in the net values of individual species all the species were found to be rich in protein, and carbohydrates and low in fat. Glucose was found to be the major monosaccharide. Predominance of UFA (65–70%) over SFA (30–35%) was observed in all the species with considerable amounts of other bioactive compounds. All the species showed higher effectiveness for antioxidant capacities. PMID:26199938

Chemical, Bioactive, and Antioxidant Potential of Twenty Wild Culinary Mushroom Species

Directory of Open Access Journals (Sweden)

S. K. Sharma

2015-01-01

Full Text Available The chemical, bioactive, and antioxidant potential of twenty wild culinary mushroom species being consumed by the people of northern Himalayan regions has been evaluated for the first time in the present study. Nutrients analyzed include protein, crude fat, fibres, carbohydrates, and monosaccharides. Besides, preliminary study on the detection of toxic compounds was done on these species. Bioactive compounds evaluated are fatty acids, amino acids, tocopherol content, carotenoids (β-carotene, lycopene, flavonoids, ascorbic acid, and anthocyanidins. Fruitbodies extract of all the species was tested for different types of antioxidant assays. Although differences were observed in the net values of individual species all the species were found to be rich in protein, and carbohydrates and low in fat. Glucose was found to be the major monosaccharide. Predominance of UFA (65–70% over SFA (30–35% was observed in all the species with considerable amounts of other bioactive compounds. All the species showed higher effectiveness for antioxidant capacities.

Chemical, Bioactive, and Antioxidant Potential of Twenty Wild Culinary Mushroom Species.

Science.gov (United States)

Sharma, S K; Gautam, N

2015-01-01

The chemical, bioactive, and antioxidant potential of twenty wild culinary mushroom species being consumed by the people of northern Himalayan regions has been evaluated for the first time in the present study. Nutrients analyzed include protein, crude fat, fibres, carbohydrates, and monosaccharides. Besides, preliminary study on the detection of toxic compounds was done on these species. Bioactive compounds evaluated are fatty acids, amino acids, tocopherol content, carotenoids (β-carotene, lycopene), flavonoids, ascorbic acid, and anthocyanidins. Fruitbodies extract of all the species was tested for different types of antioxidant assays. Although differences were observed in the net values of individual species all the species were found to be rich in protein, and carbohydrates and low in fat. Glucose was found to be the major monosaccharide. Predominance of UFA (65-70%) over SFA (30-35%) was observed in all the species with considerable amounts of other bioactive compounds. All the species showed higher effectiveness for antioxidant capacities.

Exudate Chemical Profiles Derived from Lespedeza and Other Tallgrass Prairie Plant Species

Science.gov (United States)

2017-05-01

Chemical Profiles Derived from Lespedeza and Other Tall- grass Prairie Plant Species. ERDC TN-17-1. Vicksburg, MS: U.S. Army Engineer Re- search and...200-1-52. Washington, DC: U.S. Army Corps of Engineers Headquarters, Civil Works. https://www.wbdg.org/ffc/army-coe/public-works-technical-bulletins...ERDC TN-17-1 May 2017 Approved for public release; distribution is unlimited. Exudate Chemical Profiles Derived from Lespedeza and Other

Chemical species of plutonium in Hanford radioactive tank waste

International Nuclear Information System (INIS)

Barney, G.S.

1997-01-01

Large quantities of radioactive wastes have been generated at the Hanford Site over its operating life. The wastes with the highest activities are stored underground in 177 large (mostly one million gallon volume) concrete tanks with steel liners. The wastes contain processing chemicals, cladding chemicals, fission products, and actinides that were neutralized to a basic pH before addition to the tanks to prevent corrosion of the steel liners. Because the mission of the Hanford Site was to provide plutonium for defense purposes, the amount of plutonium lost to the wastes was relatively small. The best estimate of the amount of plutonium lost to all the waste tanks is about 500 kg. Given uncertainties in the measurements, some estimates are as high as 1,000 kg (Roetman et al. 1994). The wastes generally consist of (1) a sludge layer generated by precipitation of dissolved metals from aqueous wastes solutions during neutralization with sodium hydroxide, (2) a salt cake layer formed by crystallization of salts after evaporation of the supernate solution, and (3) an aqueous supernate solution that exists as a separate layer or as liquid contained in cavities between sludge or salt cake particles. The identity of chemical species of plutonium in these wastes will allow a better understanding of the behavior of the plutonium during storage in tanks, retrieval of the wastes, and processing of the wastes. Plutonium chemistry in the wastes is important to criticality and environmental concerns, and in processing the wastes for final disposal. Plutonium has been found to exist mainly in the sludge layers of the tanks along with other precipitated metal hydrous oxides. This is expected due to its low solubility in basic aqueous solutions. Tank supernate solutions do not contain high concentrations of plutonium even though some tanks contain high concentrations of complexing agents. The solutions also contain significant concentrations of hydroxide which competes with other

Chemical technology of the systems, partitioning and separation, disposal

International Nuclear Information System (INIS)

Volk, V.I.

1997-01-01

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

The influence of electrohydrodynamic flow on the distribution of chemical species in positive corona

Science.gov (United States)

Pontiga, Francisco; Yanallah, Khelifa; Bouazza, R.; Chen, Junhong

2015-09-01

A numerical simulation of positive corona discharge in air, including the effect of electrohydrodynamic (EHD) motion of the gas, has been carried out. Air flow is assumed to be confined between two parallel plates, and corona discharge is produced around a thin wire, midway between the plates. Therefore, fluid dynamics equations, including electrical forces, have been solved together with the continuity equation of each neutral species. The plasma chemical model included 24 chemical reactions and ten neutral species, in addition to electrons and positive ions. The results of the simulation have shown that the influence of EHD flow on the spatial distributions of the species is quite different depending on the species. Hence, reactive species like atomic oxygen and atomic nitrogen are confined to the vicinity of the wire, and they are weakly affected by the EHD gas motion. In contrast, nitrogen oxides and ozone are efficiently dragged outside the active region of the corona discharge by the EHD flow. This work was supported by the Spanish Government Agency ``Ministerio de Ciencia e Innovación'' under Contract No. FIS2011-25161.

Separation of chemical species

International Nuclear Information System (INIS)

Rentzepis, P.M.

1977-01-01

Isotopic separation is accomplished by (1) a second photon irradiation step for selective ionization of a first isotopic species and (2) selective precipitation of a generally immiscible liquid from the saturating vapor phase on the ionized species. The first photon corresponds with a sharply defined spectral portion of the irradiation which exclusively excites the first species to a vibrational level. The second photon further excites this species to its ionization level. Selective precipitation is by coulombic attraction between the ionized species and the vapor. The procedure is applicable to any vapor phase ionizable material

Mobility and Attenuation Dynamics of Potentially Toxic Chemical Species at an Abandoned Copper Mine Tailings Dump

Directory of Open Access Journals (Sweden)

Wilson Mugera Gitari

2018-02-01

Full Text Available Large volumes of disposed mine tailings abound in several regions of South Africa, as a consequence of unregulated, unsustainable long years of mining activities. Tailings dumps occupy a large volume of valuable land, and present a potential risk for aquatic systems, through leaching of potentially toxic chemical species. This paper reports on the evaluation of the geochemical processes controlling the mobility of potentially toxic chemical species within the tailings profile, and their potential risk with regard to surface and groundwater systems. Combination of X-ray fluorescence (XRF, X-ray diffraction (XRD, and scanning electron microscopy-energy dispersive spectroscopy (SEM-EDS techniques, show that the tailing profiles are uniform, weakly altered, and vary slightly with depth in both physical and geochemical properties, as well as mineralogical composition. Mineralogical analysis showed the following order of abundance: quartz > epidote > chlorite > muscovite > calcite > hematite within the tailings profiles. The neutralization of the dominant alumino-silicate minerals and the absence of sulfidic minerals, have produced medium alkaline pH conditions (7.97–8.37 at all depths and low concentrations of dissolved Cu (20.21–47.9 µg/L, Zn (0.88–1.80 µg/L, Pb (0.27–0.34 µg/L, and SO42− (15.71–55.94 mg/L in the tailings profile leachates. The relative percentage leach for the potentially toxic chemical species was low in the aqueous phase (Ni 0.081%, Cu 0.006%, and Zn 0.05%. This indicates that the transport load of potentially toxic chemical species from tailings to the aqueous phase is very low. The precipitation of secondary hematite has an important known ability to trap and attenuate the mobility of potentially toxic chemical species (Cu, Zn, and Pb by adsorption on the surface area. Geochemical modelling MINTEQA2 showed that the tailings leachates were below saturation regarding oxyhydroxide minerals, but oversaturated with Cu

Seed germination methods for native Caribbean trees and shrubs : with emphasis on species relevant for Bonaire

NARCIS (Netherlands)

Burg, van der W.J.; Freitas, J.; Debrot, A.O.

2014-01-01

This paper is intended as a basis for nature restoration activities using seeds of trees and (larger) shrubs native to Bonaire with the aim of reforestation. It describes the main seed biology issues relevant for species from this region, to facilitate decisions on time and stage of harvesting, safe

Phylogeny and source climate impact seed dormancy and germination of restoration-relevant forb species.

Science.gov (United States)

Seglias, Alexandra E; Williams, Evelyn; Bilge, Arman; Kramer, Andrea T

2018-01-01

For many species and seed sources used in restoration activities, specific seed germination requirements are often unknown. Because seed dormancy and germination traits can be constrained by phylogenetic history, related species are often assumed to have similar traits. However, significant variation in these traits is also present within species as a result of adaptation to local climatic conditions. A growing number of studies have attempted to disentangle how phylogeny and climate influence seed dormancy and germination traits, but they have focused primarily on species-level effects, ignoring potential population-level variation. We examined the relationships between phylogeny, climate, and seed dormancy and germination traits for 24 populations of eight native, restoration-relevant forb species found in a wide range of climatic conditions in the Southwest United States. The seeds were exposed to eight temperature and stratification length regimes designed to mimic regional climatic conditions. Phylogenetic relatedness, overall climatic conditions, and temperature conditions at the site were all significantly correlated with final germination response, with significant among-population variation in germination response across incubation treatments for seven of our eight study species. Notably, germination during stratification was significantly predicted by precipitation seasonality and differed significantly among populations for seven species. While previous studies have not examined germination during stratification as a potential trait influencing overall germination response, our results suggest that this trait should be included in germination studies as well as seed sourcing decisions. Results of this study deepen our understanding of the relationships between source climate, species identity, and germination, leading to improved seed sourcing decisions for restorations.

Species diversity and chemical properties of litter influence non-additive effects of litter mixtures on soil carbon and nitrogen cycling.

Directory of Open Access Journals (Sweden)

Bing Mao

Full Text Available Decomposition of litter mixtures generally cannot be predicted from the component species incubated in isolation. Therefore, such non-additive effects of litter mixing on soil C and N dynamics remain poorly understood in terrestrial ecosystems. In this study, litters of Mongolian pine and three dominant understory species and soil were collected from a Mongolian pine plantation in Northeast China. In order to examine the effects of mixed-species litter on soil microbial biomass N, soil net N mineralization and soil respiration, four single litter species and their mixtures consisting of all possible 2-, 3- and 4-species combinations were added to soils, respectively. In most instances, species mixing produced synergistic non-additive effects on soil microbial biomass N and soil respiration, but antagonistic non-additive effects on net N mineralization. Species composition rather than species richness explained the non-additive effects of species mixing on soil microbial biomass N and net N mineralization, due to the interspecific differences in litter chemical composition. Both litter species composition and richness explained non-additive soil respiration responses to mixed-species litter, while litter chemical diversity and chemical composition did not. Our study indicated that litter mixtures promoted soil microbial biomass N and soil respiration, and inhibited net N mineralization. Soil N related processes rather than soil respiration were partly explained by litter chemical composition and chemical diversity, highlighting the importance of functional diversity of litter on soil N cycling.

Species diversity and chemical properties of litter influence non-additive effects of litter mixtures on soil carbon and nitrogen cycling.

Science.gov (United States)

Mao, Bing; Mao, Rong; Zeng, De-Hui

2017-01-01

Decomposition of litter mixtures generally cannot be predicted from the component species incubated in isolation. Therefore, such non-additive effects of litter mixing on soil C and N dynamics remain poorly understood in terrestrial ecosystems. In this study, litters of Mongolian pine and three dominant understory species and soil were collected from a Mongolian pine plantation in Northeast China. In order to examine the effects of mixed-species litter on soil microbial biomass N, soil net N mineralization and soil respiration, four single litter species and their mixtures consisting of all possible 2-, 3- and 4-species combinations were added to soils, respectively. In most instances, species mixing produced synergistic non-additive effects on soil microbial biomass N and soil respiration, but antagonistic non-additive effects on net N mineralization. Species composition rather than species richness explained the non-additive effects of species mixing on soil microbial biomass N and net N mineralization, due to the interspecific differences in litter chemical composition. Both litter species composition and richness explained non-additive soil respiration responses to mixed-species litter, while litter chemical diversity and chemical composition did not. Our study indicated that litter mixtures promoted soil microbial biomass N and soil respiration, and inhibited net N mineralization. Soil N related processes rather than soil respiration were partly explained by litter chemical composition and chemical diversity, highlighting the importance of functional diversity of litter on soil N cycling.

CHEMICAL COMPOSITION OF CAATINGA POTENTIAL FORAGES SPECIES

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Dynara Layza de Souza da Silva

2015-12-01

Full Text Available Chemical composition of some potential forages species, natives from Caatinga region, were evaluated. Samples of Macroptilium heterophyllum, Stylosanthes humilis, Rhynchosia mínima, Desmodium tortuosum Sw. Dc, Merremia aegyptia, Mimosa tenuiflora Wild, Bauhinia cheilantha and as well Macroptilium lathyroides, Caesalpinia pyramidalis and Mimosa tenuiflora hays were collected in Rio Grande do Norte Stated, during 2011 rainy season. The analyses: dry matter (DM, crude protein (CP mineral matter (MM ether extract  (EE neutral detergent fiber (NDF, acid detergent fiber (ADF, lignin (LIG, insoluble neutral detergent nitrogen, (INDN insoluble acid detergent nitrogen, (ADIN, total phenol (TF and total tannin (TT were done at Embrapa Caprinos e Ovinos in Ceará State. Plants analyzed, as expected, for tropical species, exhibited high level of cell wall constituents, high lignifications rate and revealed substantial presence of anti nutritional compounds. However, regardless of this data, the main problem, for grazing animals, is due to its xerophytes characteristics. Most of the shrubs and trees are deciduous, losing its leaves during the dry season. In addition, herbaceous presents a very rapid lifetime cycle, germinating and senescing during the brief wet season.

Chemical constituents and biological activities of species of Justicia: a review

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Geone M. Corrêa

2012-02-01

Full Text Available The Acanthaceae family is an important source of therapeutic drugs, and the ethnopharmacological knowledge of this family requires urgent documentation as several of its species are near extinction. Justicia is the largest genus of Acanthaceae, with approximately 600 species. The present work provides a review addressing the chemistry and pharmacology of the genus Justicia. In addition, the biological activities of compounds isolated from the genus are also covered. The chemical and pharmacological information in the present work may inspire new biomedical applications for the species of Justicia, considering atom economy, the synthesis of environmentally benign products without producing toxic by-products, the use of renewable sources of raw materials, and the search for processes with maximal efficiency of energy.

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

Science.gov (United States)

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

2003-09-01

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

Chemical thermodynamics of iodine species in the HTGR fuel particle

International Nuclear Information System (INIS)

Lindemer, T.B.

1982-09-01

The iodine-containing species in an intact fuel particle in the high-temperature gas-cooled reactor (HTGR) have been calculated. Assumptions include: (1) attainment of chemical thermodynamic equilibrium among all species in the open porosity of the particle, primarily in the buffer layer; and (2) fission-product concentrations in proportion to their yields. The primary gaseous species is calculated to be cesium iodide; in carbide-containing fuels, gaseous barium iodide may exhibit equivalent pressures. The condensed iodine-containing phase is usually cesium iodide, but in carbide-containing fuels, barium iodide may be stable instead. Absorption of elemental iodine on the carbon in the particle appears to be less than or equal to 10 -4 μg I/g C. The fission-product-spectra excess of cesium over iodine would generally be adsorbed on the carbon, but may form Cs 2 MoO 4 under some circumstances

Graphene Chemical Sensor for Heliophysics Applications

Science.gov (United States)

Sultana, Mahmooda; Herrero, Fred; Khazanov, George

2013-01-01

Graphene is a single layer of carbon atoms that offer a unique set of advantages as a chemical sensor due to a number of its inherent properties. Graphene has been explored as a gas sensor for a variety of gases, and molecular sensitivity has been demonstrated by measuring the change in electrical properties due to the adsorption of target species. In this paper, we discuss the development of an array of chemical sensors based on graphene and its relevance to plasma physics due to its sensitivity to radical species such as oxonium, hydron and the corresponding neutrals. We briefly discuss the great impact such sensors will have on a number of heliophysics applications such as ground-based manifestations of space weather.

USE OF AMAZONIAN SPECIES FOR AGING DISTILLED BEVERAGES: PHYSICAL AND CHEMICAL WOOD ANALYSIS

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Jonnys Paz Castro

2015-06-01

Full Text Available The process of storing liquor in wooden barrels is a practice that aims to improve the sensory characteristics, such as color, aroma and flavor, of the beverage. The quality of the liquor stored in these barrels depends on wood characteristics such as density, permeability, chemical composition, anatomy, besides the wood heat treatment used to fabricate the barrels. Brazil has a great diversity of forests, mainly in the north, in the Amazon. This region is home to thousands of tree species, but is limited to the use of only a few native species to store liquors. The objective of this study was to determine some of the physical and chemical characteristics for four Amazon wood species. The results obtained in this study will be compared with others from woods that are traditionally used for liquor storage. The species studied were angelim-pedra (Hymenolobium petraeum Ducke cumarurana (Dipteryx polyphylla (Huber Ducke, jatobá (Hymenaea courbaril L. and louro-vermelho (Nectandra rubra (Mez CK Allen. The trees were collected from Precious Woods Amazon Company forest management area, in Silves, Amazonas. Analyzes such as: concentration of extractives, lignin amount, percentage of minerals (ash and tannin content, density, elemental analysis (CHNS-O and thermal analysis were done. It was observed that the chemical composition (lignin, holocellulose and elemental analysis (percentage of C, H, N and O of the woods have significant differences. The jatobá wood presented higher tannin content, and in the thermal analysis, was that which had the lowest mass loss.

Divergent chemical cues elicit seed collecting by ants in an obligate multi-species mutualism in lowland Amazonia.

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Elsa Youngsteadt

2010-12-01

Full Text Available In lowland Amazonian rainforests, specific ants collect seeds of several plant species and cultivate them in arboreal carton nests, forming species-specific symbioses called ant-gardens (AGs. In this obligate mutualism, ants depend on the plants for nest stability and the plants depend on ant nests for substrate and nutrients. AG ants and plants are abundant, dominant members of lowland Amazonian ecosystems, but the cues ants use to recognize the seeds are poorly understood. To address the chemical basis of the ant-seed interaction, we surveyed seed chemistry in nine AG species and eight non-AG congeners. We detected seven phenolic and terpenoid volatiles common to seeds of all or most of the AG species, but a blend of the shared compounds was not attractive to the AG ant Camponotus femoratus. We also analyzed seeds of three AG species (Anthurium gracile, Codonanthe uleana, and Peperomia macrostachya using behavior-guided fractionation. At least one chromatographic fraction of each seed extract elicited retrieval behavior in C. femoratus, but the active fractions of the three plant species differed in polarity and chemical composition, indicating that shared compounds alone did not explain seed-carrying behavior. We suggest that the various AG seed species must elicit seed-carrying with different chemical cues.

Light-Addressable Potentiometric Sensors for Quantitative Spatial Imaging of Chemical Species.

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Yoshinobu, Tatsuo; Miyamoto, Ko-Ichiro; Werner, Carl Frederik; Poghossian, Arshak; Wagner, Torsten; Schöning, Michael J

2017-06-12

A light-addressable potentiometric sensor (LAPS) is a semiconductor-based chemical sensor, in which a measurement site on the sensing surface is defined by illumination. This light addressability can be applied to visualize the spatial distribution of pH or the concentration of a specific chemical species, with potential applications in the fields of chemistry, materials science, biology, and medicine. In this review, the features of this chemical imaging sensor technology are compared with those of other technologies. Instrumentation, principles of operation, and various measurement modes of chemical imaging sensor systems are described. The review discusses and summarizes state-of-the-art technologies, especially with regard to the spatial resolution and measurement speed; for example, a high spatial resolution in a submicron range and a readout speed in the range of several tens of thousands of pixels per second have been achieved with the LAPS. The possibility of combining this technology with microfluidic devices and other potential future developments are discussed.

Evaluation of Chemical Composition and Antileishmanial and Antituberculosis Activities of Essential Oils of Piper Species

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Karine Zanoli Bernuci

2016-12-01

Full Text Available Essential oils from fresh Piperaceae leaves were obtained by hydrodistillation and analyzed by gas chromatography mass spectrometry (GC–MS, and a total of 68 components were identified. Principal components analysis results showed a chemical variability between species, with sesquiterpene compounds predominating in the majority of species analyzed. The composition of the essential oil of Piper mosenii was described for the first time. The cytotoxicity of the essential oils was evaluated in peritoneal macrophages and the oils of P. rivinoides, P. arboretum, and P. aduncum exhibited the highest values, with cytotoxic concentration at 50% (CC50 > 200 µg/mL. Both P. diospyrifolium and P. aduncum displayed activity against Leishmania amazonensis, and were more selective for the parasite than for the macrophages, with a selectivity index (SI of 2.35 and >5.52, respectively. These SI values were greater than the 1 for the standard drug pentamidine. The antileishmanial activity of the essential oils of P. diospyrifolium and P. aduncum was described for the first time. P. rivinoides, P. cernuum, and P. diospyrifolium displayed moderate activity against the Mycobacterium tuberculosis H37Rv bacillus, with a minimum inhibitory concentration (MIC of 125 µg/mL. These results are relevant and suggests their potential for therapeutic purposes. Nevertheless, further studies are required to explain the exact mechanism of action of these essential oils.

Evaluation of Chemical Composition and Antileishmanial and Antituberculosis Activities of Essential Oils of Piper Species.

Science.gov (United States)

Bernuci, Karine Zanoli; Iwanaga, Camila Cristina; Fernandez-Andrade, Carla Maria Mariano; Lorenzetti, Fabiana Brusco; Torres-Santos, Eduardo Caio; Faiões, Viviane Dos Santos; Gonçalves, José Eduardo; do Amaral, Wanderlei; Deschamps, Cícero; Scodro, Regiane Bertin de Lima; Cardoso, Rosilene Fressatti; Baldin, Vanessa Pietrowski; Cortez, Diógenes Aparício Garcia

2016-12-12

Essential oils from fresh Piperaceae leaves were obtained by hydrodistillation and analyzed by gas chromatography mass spectrometry (GC-MS), and a total of 68 components were identified. Principal components analysis results showed a chemical variability between species, with sesquiterpene compounds predominating in the majority of species analyzed. The composition of the essential oil of Piper mosenii was described for the first time. The cytotoxicity of the essential oils was evaluated in peritoneal macrophages and the oils of P. rivinoides , P. arboretum , and P. aduncum exhibited the highest values, with cytotoxic concentration at 50% (CC 50 ) > 200 µg/mL. Both P. diospyrifolium and P. aduncum displayed activity against Leishmania amazonensis , and were more selective for the parasite than for the macrophages, with a selectivity index (SI) of 2.35 and >5.52, respectively. These SI values were greater than the 1 for the standard drug pentamidine. The antileishmanial activity of the essential oils of P. diospyrifolium and P. aduncum was described for the first time. P. rivinoides, P. cernuum , and P. diospyrifolium displayed moderate activity against the Mycobacterium tuberculosis H 37 Rv bacillus, with a minimum inhibitory concentration (MIC) of 125 µg/mL. These results are relevant and suggests their potential for therapeutic purposes. Nevertheless, further studies are required to explain the exact mechanism of action of these essential oils.

Meaningful traits for grouping plant species across arid ecosystems.

Science.gov (United States)

Bär Lamas, Marlene Ivonne; Carrera, A L; Bertiller, M B

2016-05-01

Grouping species may provide some degree of simplification to understand the ecological function of plants on key ecosystem processes. We asked whether groups of plant species based on morpho-chemical traits associated with plant persistence and stress/disturbance resistance reflect dominant plant growth forms in arid ecosystems. We selected twelve sites across an aridity gradient in northern Patagonia. At each site, we identified modal size plants of each dominant species and assessed specific leaf area (SLA), plant height, seed mass, N and soluble phenol concentration in green and senesced leaves at each plant. Plant species were grouped according with plant growth forms (perennial grasses, evergreen shrubs and deciduous shrubs) and plant morphological and/or chemical traits using cluster analysis. We calculated mean values of each plant trait for each species group and plant growth form. Plant growth forms significantly differed among them in most of the morpho-chemical traits. Evergreen shrubs were tall plants with the highest seed mass and soluble phenols in leaves, deciduous shrubs were also tall plants with high SLA and the highest N in leaves, and perennial grasses were short plants with high SLA and low concentration of N and soluble phenols in leaves. Grouping species by the combination of morpho-chemical traits yielded 4 groups in which species from one growth form prevailed. These species groups differed in soluble phenol concentration in senesced leaves and plant height. These traits were highly correlated. We concluded that (1) plant height is a relevant synthetic variable, (2) growth forms adequately summarize ecological strategies of species in arid ecosystems, and (3) the inclusion of plant morphological and chemical traits related to defenses against environmental stresses and herbivory enhanced the potential of species grouping, particularly within shrubby growth forms.

Modeling non-isothermal multiphase multi-species reactive chemical transport in geologic media

Energy Technology Data Exchange (ETDEWEB)

Tianfu Xu; Gerard, F.; Pruess, K.; Brimhall, G.

1997-07-01

The assessment of mineral deposits, the analysis of hydrothermal convection systems, the performance of radioactive, urban and industrial waste disposal, the study of groundwater pollution, and the understanding of natural groundwater quality patterns all require modeling tools that can consider both the transport of dissolved species as well as their interactions with solid (or other) phases in geologic media and engineered barriers. Here, a general multi-species reactive transport formulation has been developed, which is applicable to homogeneous and/or heterogeneous reactions that can proceed either subject to local equilibrium conditions or kinetic rates under non-isothermal multiphase flow conditions. Two numerical solution methods, the direct substitution approach (DSA) and sequential iteration approach (SIA) for solving the coupled complex subsurface thermo-physical-chemical processes, are described. An efficient sequential iteration approach, which solves transport of solutes and chemical reactions sequentially and iteratively, is proposed for the current reactive chemical transport computer code development. The coupled flow (water, vapor, air and heat) and solute transport equations are also solved sequentially. The existing multiphase flow code TOUGH2 and geochemical code EQ3/6 are used to implement this SIA. The flow chart of the coupled code TOUGH2-EQ3/6, required modifications of the existing codes and additional subroutines needed are presented.

Phytotoxic Activity and Chemical Composition of Aqueous Volatile Fractions from Eucalyptus Species

Science.gov (United States)

Zhang, Jinbiao; An, Min; Wu, Hanwen; Liu, De Li; Stanton, Rex

2014-01-01

The essential oils from four Eucalyptus species (E. spathulata, E. salubris, E. brockwayii and E. dundasii) have been previously confirmed to have stronger inhibitory effects on germination and seedling growth of silverleaf nightshade (Solanum elaeagnifolium Cav.). The aqueous volatile fractions (AVFs) were the water soluble volatile fractions produced together with the essential oils (water insoluble fractions) during the steam distillation process. The aim of this study was to further assess the phytotoxicity of AVFs from the four Eucalyptus species and their chemical composition. The fresh leaves of the four Eucalyptus species were used for the extraction of AVFs. The AVFs were tested for their phytotoxic effects on the perennial weed, silverleaf nightshade under laboratory conditions. The chemical compositions of the AVFs were determined by gas chromatograph–mass spectrometry (GC-MS). Our results showed that the AVFs had strong inhibition on the germination and seedling growth of silverleaf nightshade. The inhibition index increased with the increasing concentrations of AVFs. The inhibitory effects of the AVFs varied between different Eucalyptus species. The AVF from E. salubris demonstrated the highest inhibitory activity on the weed tested, with complete inhibition on germination and seedling growth at a concentration of 75%. The GC-MS analysis revealed that 1,8-cineole, isopentyl isovalerate, isomenthol, pinocarvone, trans-pinocarveol, alpha-terpineol and globulol were the main compounds in the AVFs. These results indicated that all AVFs tested had differential inhibition on the germination and seedling growth of silverleaf nightshade, which could be due to the joint effects of compounds present in the AVFs as these compounds were present in different quantities and ratio between Eucalyptus species. PMID:24681490

Phytotoxic activity and chemical composition of aqueous volatile fractions from Eucalyptus species.

Directory of Open Access Journals (Sweden)

Jinbiao Zhang

Full Text Available The essential oils from four Eucalyptus species (E. spathulata, E. salubris, E. brockwayii and E. dundasii have been previously confirmed to have stronger inhibitory effects on germination and seedling growth of silverleaf nightshade (Solanum elaeagnifolium Cav.. The aqueous volatile fractions (AVFs were the water soluble volatile fractions produced together with the essential oils (water insoluble fractions during the steam distillation process. The aim of this study was to further assess the phytotoxicity of AVFs from the four Eucalyptus species and their chemical composition. The fresh leaves of the four Eucalyptus species were used for the extraction of AVFs. The AVFs were tested for their phytotoxic effects on the perennial weed, silverleaf nightshade under laboratory conditions. The chemical compositions of the AVFs were determined by gas chromatograph-mass spectrometry (GC-MS. Our results showed that the AVFs had strong inhibition on the germination and seedling growth of silverleaf nightshade. The inhibition index increased with the increasing concentrations of AVFs. The inhibitory effects of the AVFs varied between different Eucalyptus species. The AVF from E. salubris demonstrated the highest inhibitory activity on the weed tested, with complete inhibition on germination and seedling growth at a concentration of 75%. The GC-MS analysis revealed that 1,8-cineole, isopentyl isovalerate, isomenthol, pinocarvone, trans-pinocarveol, alpha-terpineol and globulol were the main compounds in the AVFs. These results indicated that all AVFs tested had differential inhibition on the germination and seedling growth of silverleaf nightshade, which could be due to the joint effects of compounds present in the AVFs as these compounds were present in different quantities and ratio between Eucalyptus species.

In silico site-directed mutagenesis informs species-specific predictions of chemical susceptibility derived from the Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool

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The Sequence Alignment to Predict Across Species Susceptibility (SeqAPASS) tool was developed to address needs for rapid, cost effective methods of species extrapolation of chemical susceptibility. Specifically, the SeqAPASS tool compares the primary sequence (Level 1), functiona...

Assessment of local wood species used for the manufacture of cookware and the perception of chemical benefits and chemical hazards associated with their use in Kumasi, Ghana

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Mensah John Kenneth

2012-12-01

Full Text Available Abstract Background Historical proven wood species have no reported adverse health effect associated with its past use. Different historical proven species have traditionally been used to manufacture different wooden food contact items. This study uses survey questionnaires to assess suppliers’, manufacturers’, retailers’ and consumers’ (end-users’ preferences for specific wood species, to examine the considerations that inform these preferences and to investigate the extent of awareness of the chemical benefits and chemical hazards associated with wooden food contact material use. Methods Through the combined use of a cross sectional approach and a case study design, 25 suppliers, 25 manufacturers, 25 retailers and 125 consumers (end-users of wooden food contact materials in four suburbs in Kumasi Metropolitan Area (Anloga junction, Ahinsan Bus Stop, Ahwia-Pankrono and Race Course and Ashanti Akyim Agogo in the Ashanti Akyim North District of the Ashanti Region were administered with closed ended questionnaires. The questionnaires were prepared in English, but local language, Twi, was used to translate and communicate the content of the questionnaire where necessary. Results Suppliers’, manufacturers’ and retailers’ preferences for specific wood species for most wooden cookware differed from that of consumers (end-users. But all respondent groups failed to indicate any awareness of chemical benefits or chemical hazards associated with either the choice of specific wood species for specific wooden cookware or with the general use of wooden food contact materials. The lack of appreciation of chemical benefits or hazards associated with active principles of wooden cookware led to heavy reliance of consumers (end-users on the wood density, price, attractive grain pattern and colour or on the judgement of retailers in their choice of specific species for a wooden cookware. Conclusion This study contributes some practical suggestions

The physico-chemical radioiodine species in the exhaust air of a pressurized water reactor (PWR2)

International Nuclear Information System (INIS)

Deuber, H.

1981-12-01

In a German pressurized water reactor, the physico-chemical 131 I species were determined in the plant exhaust and in the individual exhausts during 6 months. These measurements aimed in particular at determining the percentage and the source of the radiologically decisive elemental 131 I released to the environment. The retention of the 131 I species by iodine filters was also investigated. 20 to 30% of the 131 I discharged with the plant exhaust consisted of elemental iodine. This was largely released with the unfiltered exhaust from the chemical laboratory hoods and from the annular compartment. (orig.) [de

Chemical composition and digestibility of some browse plant species collected from Algerian arid rangelands

Energy Technology Data Exchange (ETDEWEB)

Boufennara, S.; Lopez, S.; Boussebouna, H.; Bodas, R.; Bouazza, L.

2012-11-01

Many wild browse and bush species are undervalued mainly because of insufficient knowledge about their potential feeding value. The objective was to evaluate some nutritional attributes of various Algerian browse and shub species (Atriplex halimus, Artemisia campestris, Artemisia herba-alba, Astragalus gombiformis, Calobota saharae, Retama raetam, Stipagrostis pungens, Lygeum spartum and Stipa tenacissima). Chemical composition, phenols and tannins concentration, in vitro digestibility, in vitro gas production kinetics and in vitro bio-assay for assessment of tannins using buffered rumen fluid, and in situ disappearence of the edible parts of the plants (leaves, thin twigs and flowers) were determined. In general, protein content in dicotyledon species was always greater than in monocotyledon grasses, these showing higher neutral and acid detergent fibre and lower lignin contents than dicots. The tannin concentrations varied considerably between species, but in general the plants investigated in this study had low tannin contents (except for Artemisia spp. and S. tenacissima). Monocots showed lower in vitro and in situ digestibilities, fermentation rate, cumulative gas production and extent of degradation than dicot species. The plants were clustered by principal components analysis in two groups: poor-quality grasses and the most digestible dicot species. Chemical composition (neutral detergent fibre and protein) and digestibility were the main influential variables determining the ranking. In conclusion, A. halimus, A. campestris, A. herba-alba and A. gombiformis can be considered of greater nutritional value than the highly fibrous and low digestible grasses (S. pungens, L. spartum and S. tenacissima) that should be considered emergency roughages. (Author) 46 refs.

Oxidative Stability of Tc(I) Tricarbonyl Species Relevant to the Hanford Tank Waste

Energy Technology Data Exchange (ETDEWEB)

Chatterjee, Sayandev [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Hall, Gabriel B. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Levitskaia, Tatiana G. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Walter, Eric D. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States); Washton, Nancy M. [Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

2015-12-17

Technetium (Tc), which exists predominately in the liquid supernatant and salt cake fractions of the nuclear tank waste stored at the U.S. DOE Hanford Site, is one of the most difficult contaminants to dispose of and/or remediate. In the strongly alkaline environments prevalent in the tank waste, its dominant chemical form is pertechnetate (TcO₄^-, oxidation state +7). However, based on experimentation to-date, a significant fraction of the soluble Tc cannot be effectively separated from the wastes and may be present as a non-pertechnetate species. The presence of a non pertechnetate species significantly complicates disposition of low-activity waste (LAW), and the development of methods to either convert them to pertechnetate or to separate the non-pertechnetate species directly is needed. The challenge is the uncertainty regarding the nature and stability of the alkaline-soluble, low-valence, non pertechnetate species in the liquid tank waste. One objective of the Tc management project is to address this knowledge gap. This fiscal year (FY) 2015 report summarizes experimental work exploring the oxidative stability of model low-valence Tc(I) tricarbonyl species, derived from the [Tc(CO)₃]⁺ moiety. These compounds are of interest due to their implied presence in several Hanford tank waste supernatants. Work in part was initiated in FY 2014, and a series of samples containing non-pertechnetate Tc generated ex situ or in situ in pseudo-Hanford tank supernatant simulant solutions was prepared and monitored for oxidation to Tc(VII) (Levitskaia et al. 2014). This experimentation continued in FY 2015, and new series of samples containing Tc(I) as [Tc(CO)₃]⁺•Ligand was tested. The monitoring method used for these studies was a combination of ⁹⁹Tc NMR and EPR spectroscopies.

Thermodynamic properties of chemical species of waste radionuclides

International Nuclear Information System (INIS)

Silva, R.J.; Nitsche, H.

1984-01-01

The object of the experimental program at Lawrence Berkeley Laboratory is to identify gaps or conflicts in thermodynamic data on the solubilities of compounds and on the formation of solution complexes of waste radionuclides needed for the reliable prediction of solution concentrations. It involves laboratory measurements necessary to (1) generate specific new data, where none exists, in order to demonstrate the importance of a particular solution species, compound or solution parameter (e.g., temperature, Eh) and to (2) resolve conflicts in existing thermodynamic data on important species or compounds. The measurement of the solubility of AmOHCO 3 in 0.1 M NaClO 4 at 25 0 C and 1 atmosphere pressure has been completed. From the experimental data, an average solubility product quotient, Qsp, was evaluated for the reaction, AmOHCO 3 (S) + 2H + = Am 3+ + HCO 3 - + H 2 O. The logarithm of Qsp was calculated to be 2.74 +/- .17. Speciation calculations, using this new data plus reported data on the solubility of Am(OH) 3 and the hydrolysis and carbonate complexation of Am 3+ , indicate that the presence of carbonate can have a substantial effect on the nature of compounds and solution species formed by americium in ground waters. Since actinides in a given oxidation state tend to exhibit similar chemical properties, this result should apply to other actinides in the trivalent state. Thus, the effect of carbonate on the solubilities and complexation of trivalent actinides should be included in any predictive modelling studies required for licensing. 27 references, 4 figures, 5 tables

Vibrational Spectroscopy of Chemical Species in Silicon and Silicon-Rich Nitride Thin Films

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Kirill O. Bugaev

2012-01-01

Full Text Available Vibrational properties of hydrogenated silicon-rich nitride (SiN:H of various stoichiometry (0.6≤≤1.3 and hydrogenated amorphous silicon (a-Si:H films were studied using Raman spectroscopy and Fourier transform infrared spectroscopy. Furnace annealing during 5 hours in Ar ambient at 1130∘C and pulse laser annealing were applied to modify the structure of films. Surprisingly, after annealing with such high-thermal budget, according to the FTIR data, the nearly stoichiometric silicon nitride film contains hydrogen in the form of Si–H bonds. From analysis of the FTIR data of the Si–N bond vibrations, one can conclude that silicon nitride is partly crystallized. According to the Raman data a-Si:H films with hydrogen concentration 15% and lower contain mainly Si–H chemical species, and films with hydrogen concentration 30–35% contain mainly Si–H2 chemical species. Nanosecond pulse laser treatments lead to crystallization of the films and its dehydrogenization.

Mode of action human relevance (species concordance) framework: Evolution of the Bradford Hill considerations and comparative analysis of weight of evidence

Science.gov (United States)

Meek, M E (Bette); Palermo, Christine M; Bachman, Ammie N; North, Colin M; Jeffrey Lewis, R

2014-01-01

The mode of action human relevance (MOA/HR) framework increases transparency in systematically considering data on MOA for end (adverse) effects and their relevance to humans. This framework continues to evolve as experience increases in its application. Though the MOA/HR framework is not designed to address the question of “how much information is enough” to support a hypothesized MOA in animals or its relevance to humans, its organizing construct has potential value in considering relative weight of evidence (WOE) among different cases and hypothesized MOA(s). This context is explored based on MOA analyses in published assessments to illustrate the relative extent of supporting data and their implications for dose–response analysis and involved comparisons for chemical assessments on trichloropropane, and carbon tetrachloride with several hypothesized MOA(s) for cancer. The WOE for each hypothesized MOA was summarized in narrative tables based on comparison and contrast of the extent and nature of the supporting database versus potentially inconsistent or missing information. The comparison was based on evolved Bradford Hill considerations rank ordered to reflect their relative contribution to WOE determinations of MOA taking into account increasing experience in their application internationally. This clarification of considerations for WOE determinations as a basis for comparative analysis is anticipated to contribute to increasing consistency in the application of MOA/HR analysis and potentially, transparency in separating science judgment from public policy considerations in regulatory risk assessment. Copyright © 2014. The Authors. Journal of Applied Toxicology Published by John Wiley & Sons Ltd. The potential value of the mode of action (MOA)/human relevance (species concordance) framework in considering relative weight of evidence (WOE) amongst different cases and hypothesized MOA(s) is explored based on the content of several published assessments

Methods for Assessing the Impact of Fog Oil Smoke on Availability, Palatability, & Food Quality of Relevant Life Stages of Insects for Threatened and Endangered Species

Energy Technology Data Exchange (ETDEWEB)

Driver, Crystal J.; Strenge, Dennis L.; Su, Yin-Fong; Cullinan, Valerie I.; Herrington, Ricky S.; Saunders, Danielle L.; Rogers, Lee E.

2007-04-01

A methodology for quantifying population dynamics and food source value of insect fauna in areas subjected to fog oil smoke was developed. Our approach employed an environmentally controlled re-circulating wind tunnel outfitted with a high-heat vaporization and re-condensation fog oil generator that has been shown to produce aerosols of comparable chemistry and droplet-size distribution as those of field releases of the smoke. This method provides reproducible exposures of insects under realistic climatic and environmental conditions to fog oil aerosols that duplicate chemical and droplet-size characteristics of field releases of the smoke. The responses measured take into account reduction in food sources due to death and to changes in availability of relevant life stages of insects that form the prey base for the listed Threatened and Endangered Species. The influence of key environmental factors, wind speed and canopy structure on these responses were characterized. Data generated using this method was used to develop response functions related to particle size, concentration, wind speed, and canopy structure that will allow military personnel to assess and manage impacts to endangered species from fog oil smoke used in military training.

MICROMORPHOLOGICAL AND CHEMICAL ASPECTS OF SOME LICHENIZED FUNGI SPECIES

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PÎNDARU DIANA-MIHAELA

2012-12-01

Full Text Available At present, lichenized fungi are used in biomonitoring studies of air quality, being good receptors in the climate change. This paper aims to investigate surface micromorphology of Xanthoria parietina and Phaeophyscia orbicularis species (Lecanoromycetes, Ascomycota. The study also includes the investigation of selected chemical parameters as pH and conductivity of the lichenized fungi samples collected from various locations in the Iaşi County (Romania. Measurements of the pH provide information on the degree of pollution in the location of interest. Bark trees pH was also investigated in order to see if our matrix substrate influences the pH of the interest lichenized fungi samples.

Chemical composition, mineral content and amino acid and lipid profiles in bones from various fish species.

Science.gov (United States)

Toppe, Jogeir; Albrektsen, Sissel; Hope, Britt; Aksnes, Anders

2007-03-01

The chemical composition, content of minerals and the profiles of amino acids and fatty acids were analyzed in fish bones from eight different species of fish. Fish bones varied significantly in chemical composition. The main difference was lipid content ranging from 23 g/kg in cod (Gadus morhua) to 509 g/kg in mackerel (Scomber scombrus). In general fatty fish species showed higher lipid levels in the bones compared to lean fish species. Similarly, lower levels of protein and ash were observed in bones from fatty fish species. Protein levels differed from 363 g/kg lipid free dry matter (dm) to 568 g/kg lipid free dm with a concomitant inverse difference in ash content. Ash to protein ratio differed from 0.78 to 1.71 with the lowest level in fish that naturally have highest swimming and physical activity. Saithe (Pollachius virens) and salmon (Salmo salar) were found to be significantly different in the levels of lipid, protein and ash, and ash/protein ratio in the bones. Only small differences were observed in the level of amino acids although species specific differences were observed. The levels of Ca and P in lipid free fish bones were about the same in all species analyzed. Fatty acid profile differed in relation to total lipid levels in the fish bones, but some minor differences between fish species were observed.

Systematic Approach to Calculate the Concentration of Chemical Species in Multi-Equilibrium Problems

Science.gov (United States)

Baeza-Baeza, Juan Jose; Garcia-Alvarez-Coque, Maria Celia

2011-01-01

A general systematic approach is proposed for the numerical calculation of multi-equilibrium problems. The approach involves several steps: (i) the establishment of balances involving the chemical species in solution (e.g., mass balances, charge balance, and stoichiometric balance for the reaction products), (ii) the selection of the unknowns (the…

Discrimination and chemical phylogenetic study of seven species of Dendrobium using infrared spectroscopy combined with cluster analysis

Science.gov (United States)

Luo, Congpei; He, Tao; Chun, Ze

2013-04-01

Dendrobium is a commonly used and precious herb in Traditional Chinese Medicine. The high biodiversity of Dendrobium and the therapeutic needs require tools for the correct and fast discrimination of different Dendrobium species. This study investigates Fourier transform infrared spectroscopy followed by cluster analysis for discrimination and chemical phylogenetic study of seven Dendrobium species. Despite the general pattern of the IR spectra, different intensities, shapes, peak positions were found in the IR spectra of these samples, especially in the range of 1800-800 cm-1. The second derivative transformation and alcoholic extracting procedure obviously enlarged the tiny spectral differences among these samples. The results indicated each Dendrobium species had a characteristic IR spectra profile, which could be used to discriminate them. The similarity coefficients among the samples were analyzed based on their second derivative IR spectra, which ranged from 0.7632 to 0.9700, among the seven Dendrobium species, and from 0.5163 to 0.9615, among the ethanol extracts. A dendrogram was constructed based on cluster analysis the IR spectra for studying the chemical phylogenetic relationships among the samples. The results indicated that D. denneanum and D. crepidatum could be the alternative resources to substitute D. chrysotoxum, D. officinale and D. nobile which were officially recorded in Chinese Pharmacopoeia. In conclusion, with the advantages of high resolution, speediness and convenience, the experimental approach can successfully discriminate and construct the chemical phylogenetic relationships of the seven Dendrobium species.

Arbuscular mycorrhizal fungi alter above- and below-ground chemical defense expression differentially among Asclepias species

Science.gov (United States)

Vannette, Rachel L.; Hunter, Mark D.; Rasmann, Sergio

2013-01-01

Below-ground (BG) symbionts of plants can have substantial influence on plant growth and nutrition. Recent work demonstrates that mycorrhizal fungi can affect plant resistance to herbivory and the performance of above- (AG) and BG herbivores. Although these examples emerge from diverse systems, it is unclear if plant species that express similar defensive traits respond similarly to fungal colonization, but comparative work may inform this question. To examine the effects of arbuscular mycorrhizal fungi (AMF) on the expression of chemical resistance, we inoculated 8 species of Asclepias (milkweed)—which all produce toxic cardenolides—with a community of AMF. We quantified plant biomass, foliar and root cardenolide concentration and composition, and assessed evidence for a growth-defense tradeoff in the presence and absence of AMF. As expected, total foliar and root cardenolide concentration varied among milkweed species. Importantly, the effect of mycorrhizal fungi on total foliar cardenolide concentration also varied among milkweed species, with foliar cardenolides increasing or decreasing, depending on the plant species. We detected a phylogenetic signal to this variation; AMF fungi reduced foliar cardenolide concentrations to a greater extent in the clade including A. curassavica than in the clade including A. syriaca. Moreover, AMF inoculation shifted the composition of cardenolides in AG and BG plant tissues in a species-specific fashion. Mycorrhizal inoculation changed the relative distribution of cardenolides between root and shoot tissue in a species-specific fashion, but did not affect cardenolide diversity or polarity. Finally, a tradeoff between plant growth and defense in non-mycorrhizal plants was mitigated completely by AMF inoculation. Overall, we conclude that the effects of AMF inoculation on the expression of chemical resistance can vary among congeneric plant species, and ameliorate tradeoffs between growth and defense. PMID:24065971

Arbuscular mycorrhizal fungi alter above- and below-ground chemical defense expression differentially among Asclepias species.

Science.gov (United States)

Vannette, Rachel L; Hunter, Mark D; Rasmann, Sergio

2013-01-01

Below-ground (BG) symbionts of plants can have substantial influence on plant growth and nutrition. Recent work demonstrates that mycorrhizal fungi can affect plant resistance to herbivory and the performance of above- (AG) and BG herbivores. Although these examples emerge from diverse systems, it is unclear if plant species that express similar defensive traits respond similarly to fungal colonization, but comparative work may inform this question. To examine the effects of arbuscular mycorrhizal fungi (AMF) on the expression of chemical resistance, we inoculated 8 species of Asclepias (milkweed)-which all produce toxic cardenolides-with a community of AMF. We quantified plant biomass, foliar and root cardenolide concentration and composition, and assessed evidence for a growth-defense tradeoff in the presence and absence of AMF. As expected, total foliar and root cardenolide concentration varied among milkweed species. Importantly, the effect of mycorrhizal fungi on total foliar cardenolide concentration also varied among milkweed species, with foliar cardenolides increasing or decreasing, depending on the plant species. We detected a phylogenetic signal to this variation; AMF fungi reduced foliar cardenolide concentrations to a greater extent in the clade including A. curassavica than in the clade including A. syriaca. Moreover, AMF inoculation shifted the composition of cardenolides in AG and BG plant tissues in a species-specific fashion. Mycorrhizal inoculation changed the relative distribution of cardenolides between root and shoot tissue in a species-specific fashion, but did not affect cardenolide diversity or polarity. Finally, a tradeoff between plant growth and defense in non-mycorrhizal plants was mitigated completely by AMF inoculation. Overall, we conclude that the effects of AMF inoculation on the expression of chemical resistance can vary among congeneric plant species, and ameliorate tradeoffs between growth and defense.

Arbuscular mycorrhizal fungi alter above- and below-ground chemical defense expression differentially among Asclepias species

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Rachel L Vannette

2013-09-01

Full Text Available Belowground symbionts of plants can have substantial influence on plant growth and nutrition. Recent work demonstrates that mycorrhizal fungi can affect plant resistance to herbivory and the performance of above and belowground herbivores. Although these examples emerge from diverse systems, it is unclear if plant species that express similar defensive traits respond similarly to fungal colonization, but comparative work may inform this question. To examine the effects of arbuscular mycorrhizal fungi (AMF on the expression of chemical resistance, we inoculated 8 species of Asclepias (milkweed--which all produce toxic cardenolides--with a community of AMF. We quantified plant biomass, foliar and root cardenolide concentration and composition, and assessed evidence for a growth-defense tradeoff in the presence and absence of AMF. As expected, total foliar and root cardenolide concentration varied among milkweed species. Importantly, the effect of mycorrhizal fungi on total foliar cardenolide concentration also varied among milkweed species, with foliar cardenolides increasing or decreasing, depending on the plant species. We detected a phylogenetic signal to this variation; AMF fungi reduced foliar cardenolide concentrations to a greater extent in the clade including A. curassavica than in the clade including A. syriaca. Moreover, AMF inoculation shifted the composition of cardenolides in above- and below-ground plant tissues in a species-specific fashion. Mycorrhizal inoculation changed the relative distribution of cardenolides between root and shoot tissue in a species-specific fashion, but did not affect cardenolide diversity or polarity. Finally, a tradeoff between plant growth and defense in non-mycorrhizal plants was mitigated completely by AMF inoculation. Overall, we conclude that the effects of AMF inoculation on the expression of chemical resistance can vary among congeneric plant species, and ameliorate tradeoffs between growth and

Low Level Chemical Toxicity: Relevance to Chemical Agent Defense

Science.gov (United States)

2005-07-01

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

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

Science.gov (United States)

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

2014-07-01

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

Soil chemical factors and grassland species density in Emas National Park (central Brazil).

Science.gov (United States)

Amorim, P K; Batalha, M A

2008-05-01

Studies of grasslands on specific soil types suggest that different nutrients can limit biomass production and, hence, species composition and number. The Brazilian cerrado is the major savanna region in America and once covered about 2 million km(2), mainly in the Brazilian Central Plateau, under seasonal climate, with wet summer and dry winter. In view of the importance of soil chemical factors in the distribution of the vegetation forms within the Cerrado domain and which may influence the number of species, we analyzed some soil characteristics in three herbaceous vegetation forms -- hyperseasonal cerrado, seasonal cerrado, and wet grassland -- in Emas National Park, a core cerrado site, to investigate the relationship between number of species and soil characteristics. We collected vegetation and soil samples in these three vegetation forms and submitted the obtained data to multiple linear regression. We found out that aluminum and pH were the best predictors of species density, the former positively related to species density and the latter negatively related. Since the predictable variation in species density is important in determining areas of conservation, we can postulate that these two soil factors are indicators of high species density areas in tropical grasslands, which could be used in selecting priority sites for conservation.

Neonatal CNS infection and inflammation caused by Ureaplasma species: rare or relevant?

Science.gov (United States)

Glaser, Kirsten; Speer, Christian P

2015-02-01

Colonization with Ureaplasma species has been associated with adverse pregnancy outcome, and perinatal transmission has been implicated in the development of bronchopulmonary dysplasia in preterm neonates. Little is known about Ureaplasma-mediated infection and inflammation of the CNS in neonates. Controversy remains concerning its incidence and implication in the pathogenesis of neonatal brain injury. In vivo and in vitro data are limited. Despite improving care options for extremely immature preterm infants, relevant complications remain. Systematic knowledge of ureaplasmal infection may be of great benefit. This review aims to summarize pathogenic mechanisms, clinical data and diagnostic pitfalls. Studies in preterm and term neonates are critically discussed with regard to their limitations. Clinical questions concerning therapy or prophylaxis are posed. We conclude that ureaplasmas may be true pathogens, especially in preterm neonates, and may cause CNS inflammation in a complex interplay of host susceptibility, serovar pathogenicity and gestational age-dependent CNS vulnerability.

Assessment of relevant fungal species in clinical solid wastes.

Science.gov (United States)

Noman, Efaq Ali; Al-Gheethi, A A; Rahman, Nik Norulaini Nik Ab; Nagao, H; Ab Kadir, M O

2016-10-01

The study aimed to determine the fungal diversity in clinical waste samples from a healthcare facility in Penang Malaysia. Different fungi species were detected in 83.75 % of the 92 clinical waste samples that were screened from different sections of the healthcare facility. One hundred fifty fungal isolates comprising of 8 genera and 36 species were obtained. They were purified by using single spore isolation technique. Subsequently, the isolates were identified by phenotypic method based on morphological and culture characteristics on different culture media. Among all fungal isolates, Aspergillus spp. in section Nigri 10.2 %, Aspergillus niger 9.5 %, Aspergillus fumigatus 8.8 %, Penicillium. simplicissium 8 %, Aspergillus tubingensis 7.3 %, Aspergillus terreus var. terreus 6.6 %, Penicillium waksmanii 5.9 % and Curvularia lunata 6.5 % were the most frequent. Among five sections of the Wellness Centre, the clinical wastes collected from the diagnostic labs of haematology section had the highest numbers of fungal species (29 species). Glove wastes had the highest numbers of fungal species (19 species) among 17 types of clinical wastes screened. Among all fungal species, Aspergillus spp. exhibited higher growth at 37 °C than at 28 °C, indicating the potential of these opportunistic fungi to cause diseases in human. These results indicated the potential of hospital wastes as reservoirs for fungal species.

Silica desiccant packets for storage and transport of Streptococcus pneumoniae and other clinically relevant species.

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Casey L Pell

Full Text Available Bacterial isolates are often transported between laboratories for research and diagnostic purposes. Silica desiccant packets (SDPs, which are inexpensive and do not require freezing, were evaluated for storage and recovery of bacterial isolates. Conditions such as inoculum size, swab type and temperature of storage were investigated using ten Streptococcus pneumoniae isolates. The optimized protocol was then tested using 49 additional S. pneumoniae isolates representing 40 serogroups. Overall, S. pneumoniae growth was considered satisfactory (>100 colony forming units for 98/109 (89.9% and 20/20 (100% swabs after 14 days at room temperature or 28 days at 4° C, respectively. Storage in SDPs did not impact on the ability of S. pneumoniae isolates to be subsequently serotyped. When the survival of nine other clinically relevant bacterial species was tested, seven were viable after 28 days at room temperature, the exceptions being Neisseria gonorrhoeae and Haemophilus influenzae. SDPs are suitable for transport and short-term storage of bacterial species including S. pneumoniae.

Species delimitation and evolution in morphologically and chemically diverse communities of the lichen-forming genus Xanthoparmelia (Parmeliaceae, Ascomycota) in western North America.

Science.gov (United States)

Leavitt, Steven D; Johnson, Leigh; St Clair, Larry L

2011-02-01

Accurate species delimitation is important for understanding the diversification of biota and has critical implications for ecological and conservation studies. However, a growing body of evidence indicates that morphology-based species circumspection in lichenized fungi misrepresents fungal diversity. The foliose lichen genus Xanthoparmelia includes over 800 species displaying a complex array of morphological and secondary metabolite diversity. We used a multifaceted approach, applying phylogenetic, population genetic, and genealogical analyses to delimit species in a single well-supported monophyletic clade containing 10 morphologically and chemically diverse Xanthoparmelia species in western North America. Sequence data from four ribosomal and two low-copy, protein-coding markers, along with chemical and morphological data were used to assess species diversity. We found that traditionally circumscribed species are not supported by molecular data. Rather, all sampled taxa were better represented by three polymorphic population clusters. Our results suggest that secondary metabolite variation may have limited utility in diagnosing lineages within this group, while identified populations clusters did not reflect major phylogeographic or ecological patterns. In contrast to studies revealing previously undiscovered fungal lineages masked within lichen species circumscribed by traditional morphological and chemical concepts, the present study suggests that species diversity has been overestimated in the species-rich genus Xanthoparmelia.

Tree species traits influence soil physical, chemical, and biological properties in high elevation forests.

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Edward Ayres

Full Text Available BACKGROUND: Previous studies have shown that plants often have species-specific effects on soil properties. In high elevation forests in the Southern Rocky Mountains, North America, areas that are dominated by a single tree species are often adjacent to areas dominated by another tree species. Here, we assessed soil properties beneath adjacent stands of trembling aspen, lodgepole pine, and Engelmann spruce, which are dominant tree species in this region and are distributed widely in North America. We hypothesized that soil properties would differ among stands dominated by different tree species and expected that aspen stands would have higher soil temperatures due to their open structure, which, combined with higher quality litter, would result in increased soil respiration rates, nitrogen availability, and microbial biomass, and differences in soil faunal community composition. METHODOLOGY/PRINCIPAL FINDINGS: We assessed soil physical, chemical, and biological properties at four sites where stands of aspen, pine, and spruce occurred in close proximity to one-another in the San Juan Mountains, Colorado. Leaf litter quality differed among the tree species, with the highest nitrogen (N concentration and lowest lignin:N in aspen litter. Nitrogen concentration was similar in pine and spruce litter, but lignin:N was highest in pine litter. Soil temperature and moisture were highest in aspen stands, which, in combination with higher litter quality, probably contributed to faster soil respiration rates from stands of aspen. Soil carbon and N content, ammonium concentration, and microbial biomass did not differ among tree species, but nitrate concentration was highest in aspen soil and lowest in spruce soil. In addition, soil fungal, bacterial, and nematode community composition and rotifer, collembolan, and mesostigmatid mite abundance differed among the tree species, while the total abundance of nematodes, tardigrades, oribatid mites, and prostigmatid

29Si NMR Chemical Shift Calculation for Silicate Species by Gaussian Software

Science.gov (United States)

Azizi, S. N.; Rostami, A. A.; Godarzian, A.

2005-05-01

Hartree-Fock self-consistent-field (HF-SCF) theory and the Gauge-including atomic orbital (GIAO) methods are used in the calculation of 29Si NMR chemical shifts for ABOUT 90 units of 19 compounds of various silicate species of precursors for zeolites. Calculations have been performed at geometries optimized at the AM1 semi-empirical method. The GIAO-HF-SCF calculations were carried out with using three different basis sets: 6-31G*, 6-31+G** and 6-311+G(2d,p). To demonstrate the quality of the calculations the calculated chemical shifts, δ, were compared with the corresponding experimental values for the compounds in study. The results, especially with 6-31+g** are in excellent agreement with experimental values. The calculated chemical shifts, in practical point of view, appear to be accurate enough to aid in experimental peak assignments. The difference between the experimental and calculated 29Si chemical shift values not only depends on the Qn units but also it seems that basis set effects and the level of theory is more important. For the series of molecules studied here, the standard deviations and mean absolute errors for 29Si chemical shifts relative to TMS determined using Hartree--Fock 6-31+G** basis is nearly in all cases smaller than the errors for shifts determined using HF/6-311+G(2d,p).

The action of chemical and mechanical stresses on single and dual species biofilm removal of drinking water bacteria.

Science.gov (United States)

Gomes, I B; Lemos, M; Mathieu, L; Simões, M; Simões, L C

2018-08-01

The presence of biofilms in drinking water distribution systems (DWDS) is a global public health concern as they can harbor pathogenic microorganisms. Sodium hypochlorite (NaOCl) is the most commonly used disinfectant for microbial growth control in DWDS. However, its effect on biofilm removal is still unclear. This work aims to evaluate the effects of the combination of chemical (NaOCl) and mechanical stresses on the removal of single and dual species biofilms of two bacteria isolated from DWDS and considered opportunistic, Acinectobacter calcoaceticus and Stenotrophomonas maltophilia. A rotating cylinder reactor was successfully used for the first time in drinking water biofilm studies with polyvinyl chloride as substratum. The single and dual species biofilms presented different characteristics in terms of metabolic activity, mass, density, thickness and content of proteins and polysaccharides. Their complete removal was not achieved even when a high NaOCl concentrations and an increasing series of shear stresses (from 2 to 23Pa) were applied. In general, NaOCl pre-treatment did not improve the impact of mechanical stress on biofilm removal. Dual species biofilms were colonized mostly by S. maltophilia and were more susceptible to chemical and mechanical stresses than these single species. The most efficient treatment (93% biofilm removal) was the combination of NaOCl at 175mg·l -1 with mechanical stress against dual species biofilms. Of concern was the high tolerance of S. maltophilia to chemical and mechanical stresses in both single and dual species biofilms. The overall results demonstrate the inefficacy of NaOCl on biofilm removal even when combined with high shear stresses. Copyright © 2018 Elsevier B.V. All rights reserved.

Chemical composition and fuel wood characteristics of fast growing tree species in India

Science.gov (United States)

Chauhan, S. K.; Soni, R.

2012-04-01

India is one of the growing economy in the world and energy is a critical input to sustain the growth of development. Country aims at security and efficiency of energy. Though fossil fuel will continue to play a dominant role in energy scenario but country is committed to global environmental well being thus stressing on environment friendly technologies. Concerns of energy security in this changing climatic situation have led to increasing support for the development of new renewable source of energy. Government though is determined to facilitate bio-energy and many projects have been established but initial after-affects more specifically on the domestic fuelwood are evident. Even the biomass power generating units are facing biomass crisis and accordingly the prices are going up. The CDM projects are supporting the viability of these units resultantly the Indian basket has a large number of biomass projects (144 out of total 506 with 28 per cent CERs). The use for fuelwood as a primary source of energy for domestic purpose by the poor people (approx. 80 per cent) and establishment of bio-energy plants may lead to deforestation to a great extent and only solution to this dilemma is to shift the wood harvest from the natural forests to energy plantations. However, there is conspicuous lack of knowledge with regards to the fuelwood characteristics of fast growing tree species for their selection for energy plantations. The calorific value of the species is important criteria for selection for fuel but it is affected by the proportions of biochemical constituents present in them. The aim of the present work was to study the biomass production, calorific value and chemical composition of different short rotation tree species. The study was done from the perspective of using the fast growing tree species for energy production at short rotation and the study concluded that short rotation tree species like Gmelina arborea, Eucalyptus tereticornis, Pongamia pinnata

The fish sexual development test: an OECD test guideline proposal with possible relevance for environmental risk assessment. Results from the validation programme

DEFF Research Database (Denmark)

Holbech, Henrik; Brande-Lavridsen, Nanna; Kinnberg, Karin Lund

2010-01-01

The Fish Sexual Development Test (FSDT) has gone through two validations as an OECD test guideline for the detection of endocrine active chemicals with different modes of action. The validation has been finalized on four species: Zebrafish (Danio rerio), Japanese medaka (Oryzias latipes), three s...... as a population relevant endpoint and the results of the two validation rounds will be discussed in relation to environmental risk assessment and species selection....... for histology. For all three methods, the fish parts were numbered and histology could therefore be linked to the vitellogenin concentration in individual fish. The two core endocrine relevant endpoints were vitellogenin concentrations and phenotypic sex ratio. Change in the sex ratio is presented...

Interspecific and Intersexual Differences in the Chemical Composition of Floral Scent in Glochidion Species (Phyllanthaceae in South China

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Daihong Huang

2015-01-01

Full Text Available Plants of the Glochidion (Phyllanthaceae genus are pollinated exclusively by host-specific Epicephala (Gracillariidae moths. Floral scent has been thought to play key role in the obligate pollination mutualism between Glochidion plants and Epicephala moths, but few studies have been reported about chemical variation in floral volatiles of Glochidion species in China. Floral volatiles of male and female flowers of five Glochidion species in south China were collected by dynamic headspace absorption technique and then were chemically analyzed by using gas chromatography-mass spectrometry. A total of 69 compounds were identified from floral scents of five investigated species. Glochidion hirsutum and G. zeylanicum showed no qualitative differences in floral scent, whereas there were clear variations of floral scent among other species (G. eriocarpum, G. daltonii, and G. sphaerogynum and also they distinctly differed from these two species. Male flowers emitted significantly more scent than female flowers. Glochidion plants exhibited qualitative and quantitative differences in floral scent between two sexes of flowers. The findings suggest that the volatile variation of floral scent among Glochidion species reflects adaptations to specific pollinators. Sexual dimorphism in floral scent has evolved to signal alternative rewards provided by each sex to Epicephala moths.

Sea Cucumber Glycosides: Chemical Structures, Producing Species and Important Biological Properties.

Science.gov (United States)

Mondol, Muhammad Abdul Mojid; Shin, Hee Jae; Rahman, M Aminur; Islam, Mohamad Tofazzal

2017-10-17

Sea cucumbers belonging to echinoderm are traditionally used as tonic food in China and other Asian countries. They produce abundant biologically active triterpene glycosides. More than 300 triterpene glycosides have been isolated and characterized from various species of sea cucumbers, which are classified as holostane and nonholostane depending on the presence or absence of a specific structural unit γ(18,20)-lactone in the aglycone. Triterpene glycosides contain a carbohydrate chain up to six monosaccharide units mainly consisting of d-xylose, 3-O-methy-d-xylose, d-glucose, 3-O-methyl-d-glucose, and d-quinovose. Cytotoxicity is the common biological property of triterpene glycosides isolated from sea cucumbers. Besides cytotoxicity, triterpene glycosides also exhibit antifungal, antiviral and hemolytic activities. This review updates and summarizes our understanding on diverse chemical structures of triterpene glycosides from various species of sea cucumbers and their important biological activities. Mechanisms of action and structural-activity relationships (SARs) of sea cucumber glycosides are also discussed briefly.

Use of comparative genomics approaches to characterize interspecies differences in response to environmental chemicals: Challenges, opportunities, and research needs

International Nuclear Information System (INIS)

Burgess-Herbert, Sarah L.; Euling, Susan Y.

2013-01-01

A critical challenge for environmental chemical risk assessment is the characterization and reduction of uncertainties introduced when extrapolating inferences from one species to another. The purpose of this article is to explore the challenges, opportunities, and research needs surrounding the issue of how genomics data and computational and systems level approaches can be applied to inform differences in response to environmental chemical exposure across species. We propose that the data, tools, and evolutionary framework of comparative genomics be adapted to inform interspecies differences in chemical mechanisms of action. We compare and contrast existing approaches, from disciplines as varied as evolutionary biology, systems biology, mathematics, and computer science, that can be used, modified, and combined in new ways to discover and characterize interspecies differences in chemical mechanism of action which, in turn, can be explored for application to risk assessment. We consider how genetic, protein, pathway, and network information can be interrogated from an evolutionary biology perspective to effectively characterize variations in biological processes of toxicological relevance among organisms. We conclude that comparative genomics approaches show promise for characterizing interspecies differences in mechanisms of action, and further, for improving our understanding of the uncertainties inherent in extrapolating inferences across species in both ecological and human health risk assessment. To achieve long-term relevance and consistent use in environmental chemical risk assessment, improved bioinformatics tools, computational methods robust to data gaps, and quantitative approaches for conducting extrapolations across species are critically needed. Specific areas ripe for research to address these needs are recommended

Future needs and recommendations in the development of species sensitivity distributions: Estimating toxicity thresholds for aquatic ecological communities and assessing impacts of chemical exposures.

Science.gov (United States)

Belanger, Scott; Barron, Mace; Craig, Peter; Dyer, Scott; Galay-Burgos, Malyka; Hamer, Mick; Marshall, Stuart; Posthuma, Leo; Raimondo, Sandy; Whitehouse, Paul

2017-07-01

A species sensitivity distribution (SSD) is a probability model of the variation of species sensitivities to a stressor, in particular chemical exposure. The SSD approach has been used as a decision support tool in environmental protection and management since the 1980s, and the ecotoxicological, statistical, and regulatory basis and applications continue to evolve. This article summarizes the findings of a 2014 workshop held by the European Centre for Toxicology and Ecotoxicology of Chemicals and the UK Environment Agency in Amsterdam, The Netherlands, on the ecological relevance, statistical basis, and regulatory applications of SSDs. An array of research recommendations categorized under the topical areas of use of SSDs, ecological considerations, guideline considerations, method development and validation, toxicity data, mechanistic understanding, and uncertainty were identified and prioritized. A rationale for the most critical research needs identified in the workshop is provided. The workshop reviewed the technical basis and historical development and application of SSDs, described approaches to estimating generic and scenario-specific SSD-based thresholds, evaluated utility and application of SSDs as diagnostic tools, and presented new statistical approaches to formulate SSDs. Collectively, these address many of the research needs to expand and improve their application. The highest priority work, from a pragmatic regulatory point of view, is to develop a guidance of best practices that could act as a basis for global harmonization and discussions regarding the SSD methodology and tools. Integr Environ Assess Manag 2017;13:664-674. © 2016 SETAC. © 2016 SETAC.

Predicting the sensitivity of populations from individual exposure to chemicals: the role of ecological interactions.

Science.gov (United States)

Gabsi, Faten; Schäffer, Andreas; Preuss, Thomas G

2014-07-01

Population responses to chemical stress exposure are influenced by nonchemical, environmental processes such as species interactions. A realistic quantification of chemical toxicity to populations calls for the use of methodologies that integrate these multiple stress effects. The authors used an individual-based model for Daphnia magna as a virtual laboratory to determine the influence of ecological interactions on population sensitivity to chemicals with different modes of action on individuals. In the model, hypothetical chemical toxicity targeted different vital individual-level processes: reproduction, survival, feeding rate, or somatic growth rate. As for species interactions, predatory and competition effects on daphnid populations were implemented following a worst-case approach. The population abundance was simulated at different food levels and exposure scenarios, assuming exposure to chemical stress solely or in combination with either competition or predation. The chemical always targeted one vital endpoint. Equal toxicity-inhibition levels differently affected the population abundance with and without species interactions. In addition, population responses to chemicals were highly sensitive to the environmental stressor (predator or competitor) and to the food level. Results show that population resilience cannot be attributed to chemical stress only. Accounting for the relevant ecological interactions would reduce uncertainties when extrapolating effects of chemicals from individuals to the population level. Validated population models should be used for a more realistic risk assessment of chemicals. © 2014 SETAC.

Organic Redox Species in Aqueous Flow Batteries: Redox Potentials, Chemical Stability and Solubility

Science.gov (United States)

Wedege, Kristina; Dražević, Emil; Konya, Denes; Bentien, Anders

2016-01-01

Organic molecules are currently investigated as redox species for aqueous low-cost redox flow batteries (RFBs). The envisioned features of using organic redox species are low cost and increased flexibility with respect to tailoring redox potential and solubility from molecular engineering of side groups on the organic redox-active species. In this paper 33, mainly quinone-based, compounds are studied experimentially in terms of pH dependent redox potential, solubility and stability, combined with single cell battery RFB tests on selected redox pairs. Data shows that both the solubility and redox potential are determined by the position of the side groups and only to a small extent by the number of side groups. Additionally, the chemical stability and possible degradation mechanisms leading to capacity loss over time are discussed. The main challenge for the development of all-organic RFBs is to identify a redox pair for the positive side with sufficiently high stability and redox potential that enables battery cell potentials above 1 V. PMID:27966605

Organic Redox Species in Aqueous Flow Batteries: Redox Potentials, Chemical Stability and Solubility

Science.gov (United States)

Wedege, Kristina; Dražević, Emil; Konya, Denes; Bentien, Anders

2016-12-01

Organic molecules are currently investigated as redox species for aqueous low-cost redox flow batteries (RFBs). The envisioned features of using organic redox species are low cost and increased flexibility with respect to tailoring redox potential and solubility from molecular engineering of side groups on the organic redox-active species. In this paper 33, mainly quinone-based, compounds are studied experimentially in terms of pH dependent redox potential, solubility and stability, combined with single cell battery RFB tests on selected redox pairs. Data shows that both the solubility and redox potential are determined by the position of the side groups and only to a small extent by the number of side groups. Additionally, the chemical stability and possible degradation mechanisms leading to capacity loss over time are discussed. The main challenge for the development of all-organic RFBs is to identify a redox pair for the positive side with sufficiently high stability and redox potential that enables battery cell potentials above 1 V.

ANATOMICAL CHARACTERISTICS AND CHEMICAL PROPERTIES OF THE BRANCH-WOOD OF Schizolobium amazonicum DUCKE SPECIES AND ITS POTENTIAL USES

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Yusup Amin

2013-10-01

Full Text Available The scale of forest degradation and deforestation in Indonesia has inspired the use of lesser-known wood species, which are potentially abundant and so far has not much been utilized. Utilization of these woods should be imposed not only of the stem wood but also of the branch-wood portions. Schizolobiumamazonicum Ducke treeis one of those lesser-known species, and growing fast with an MAIof3.68 cm/year.In Indonesia this species is only found in the Purwodadi Botanical Garden. A research was conducted to study the basic characteristics (anatomical aspects and chemical properties of the branch-wood portion of this species. The branch-wood materials were obtained from the Purwodadi Botanical Garden situated in Pasuruan (East Java. The specimens used were the first branch of the trunk (stem of nine-year old S. amazonicum tree (= 29.46 cm. The branch-wood samples were then examined for the anatomical aspects (macroscopic and microscopic characteristics and chemical properties (chemical composition. Results revealed that the anatomical properties of S.amazonicum branch-wood exhibited close similarities to those of sengon wood; it was light in appearance and white in color. Its fiber averaged about 1500 μm, and based on the fiber dimension's derived values the branch- wood fiber of this species was categorized into first-class quality for pulp and paper manufacture. Further, the chemical composition of this branch-wood compared favorably with that of sengon and mangium wood. The composition of extractive content thatsoluble in alcohol-benzene; lignin; holocellulose; and α-cellulose of this branch-wood were 2.46; 28.71; 80.64; and 50.47%, respectively. The overall assessment implied that the branch-wood portion of S.amazonicum tree affords favorable potential to be developed as raw material for pulp and paper manufacture. Also, considering that both sengon and mangium woods were already used in the pulp and paper industries as well as the trees are

Effects of Pig Slurry Application and Crops on Phosphorus Content in Soil and the Chemical Species in Solution

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Lessandro De Conti

2015-06-01

Full Text Available The application of pig slurry rates and plant cultivation can modify the soil phosphorus (P content and distribution of chemical species in solution. The purpose of this study was to evaluate the total P, available P and P in solution, and the distribution of chemical P species in solution, in a soil under longstanding pig slurry applications and crop cultivation. The study was carried out in soil columns with undisturbed structure, collected in an experiment conducted for eight years in the experimental unit of the Universidade Federal de Santa Maria (UFSM, Santa Maria (RS. The soil was an Argissolo Vermelho distrófico arênico (Typic Hapludalf, subjected to applications of 0, 20, 40, and 80 m3 ha-1 pig slurry. Soil samples were collected from the layers 0-5, 5-10, 10-20, 20-30, 30-40, and 40-60 cm, before and after black oat and maize grown in a greenhouse, for the determination of available P, total P and P in the soil solution. In the solution, the concentration of the major cations, anions, dissolved organic carbon (DOC, and pH were determined. The distribution of chemical P species was determined by software Visual Minteq. The 21 pig slurry applications increased the total P content in the soil to a depth of 40 cm, and the P extracted by Mehlich-1 and from the solution to a depth of 30 cm. Successive applications of pig slurry changed the balance between the solid and liquid phases in the surface soil layers, increasing the proportion of the total amount of P present in the soil solution, aside from changing the chemical species in the solution, reducing the percentage complexed with Al and increasing the one complexed with Ca and Mg in the layers 0-5 and 5-10 cm. Black oat and maize cultivation increased pH in the solution, thereby increasing the proportion of HPO42- and reducing H2PO4- species.

Use of Measured Species Class Concentrations with Chemical Kinetic Modeling for the Prediction of Autoxidation and Deposition of Jet Fuels (Postprint)

National Research Council Canada - National Science Library

Kuprowicz, Nicholas J; Zabarnick, Steven; West, Zachary J; Ervin, Jamie S

2007-01-01

.... In the present work, a chemical kinetic mechanism developed previously is refined to include the roles of key fuel species classes, such as phenols, reactive sulfur species, dissolved metals, and hydroperoxides...

Relations between chemical species distribution and the fluctuating activity of Vulcano (Italy)

Energy Technology Data Exchange (ETDEWEB)

Martini, M.; Legittimo, P.C.

1984-09-01

Five years of systematic observation of the fumaroles of Vulcano have permitted the detection of some compositional trends coincident with a fluctuation in temperature. A gradual decrease of CO/sub 2/, H/sub 2/S+SO/sup 2/, HF was observed with the lowering of temperature, while HCl slightly increased. These physical-chemical characteristics of the system are not readily explained as simply produced by different stages in magma degassing, and the previous hypothesis of the insignificant influence of a brackish aquifer on the fumaroles still appears a reliable working model. R-mode factor analysis allowed the differentiated role of chemical species to be distinguished for which different genetic processes can be derived. The ratios HF/HCl and SO/sub 2//H/sub 2/S are taken as indicators of the changing activity of the system, and also the available data for Usu (Japan) and Mount St. Helens (USA) are considered.

Chemically engineering ligand selectivity at the free fatty acid receptor 2 based on pharmacological variation between species orthologs

DEFF Research Database (Denmark)

Hudson, Brian D; Christiansen, Elisabeth; Tikhonova, Irina G

2012-01-01

When it is difficult to develop selective ligands within a family of related G-protein-coupled receptors (GPCRs), chemically engineered receptors activated solely by synthetic ligands (RASSLs) are useful alternatives for probing receptor function. In the present work, we explored whether a RASSL...... on this receptor and demonstrates that exploitation of pharmacological variation between species orthologs is a powerful method to generate novel chemically engineered GPCRs.-Hudson, B. D., Christiansen, E., Tikhonova, I. G., Grundmann, M., Kostenis, E., Adams, D. R., Ulven, T., Milligan, G. Chemically engineering...

Chemical kinetics and modeling of planetary atmospheres

Science.gov (United States)

Yung, Yuk L.

1990-01-01

A unified overview is presented for chemical kinetics and chemical modeling in planetary atmospheres. The recent major advances in the understanding of the chemistry of the terrestrial atmosphere make the study of planets more interesting and relevant. A deeper understanding suggests that the important chemical cycles have a universal character that connects the different planets and ultimately link together the origin and evolution of the solar system. The completeness (or incompleteness) of the data base for chemical kinetics in planetary atmospheres will always be judged by comparison with that for the terrestrial atmosphere. In the latter case, the chemistry of H, O, N, and Cl species is well understood. S chemistry is poorly understood. In the atmospheres of Jovian planets and Titan, the C-H chemistry of simple species (containing 2 or less C atoms) is fairly well understood. The chemistry of higher hydrocarbons and the C-N, P-N chemistry is much less understood. In the atmosphere of Venus, the dominant chemistry is that of chlorine and sulfur, and very little is known about C1-S coupled chemistry. A new frontier for chemical kinetics both in the Earth and planetary atmospheres is the study of heterogeneous reactions. The formation of the ozone hole on Earth, the ubiquitous photochemical haze on Venus and in the Jovian planets and Titan all testify to the importance of heterogeneous reactions. It remains a challenge to connect the gas phase chemistry to the production of aerosols.

The major differences in chemical composition and antibacterial activity of two closely related Leonotis species (Lamiaceae may have taxonomic value

Directory of Open Access Journals (Sweden)

J.N. Eloff

2010-01-01

Full Text Available Several Leonotis species are used widely for medicinal purposes in Africa. There have been drastic changes in the taxonomic treatment of Leonotis species during the past decade. Two species, L. dysophylla and L. microphylla occurring in Pretoria have been considered as varieties of the same species and as different species by different authors. Because Leonotis species are used widely as medicinal plants inter alia against bacterial infections, we decided to compare the chemical composition and antibacterial activity of four plants from each of two populations of the species. The chemical composition of acetone extracts of finely ground leaves was determined by thin layer chromatography followed by spraying with vanillin-sulphuric acid. There were hardly any differences between plants from the same population. There were major differences between the two species in the composition of pigments separated by thin layer chromatography and for compounds visualized with the vanillin-sulphuric acid spray reagent. This supported the viewpoint that the two species should not be considered as varieties. The major differences found in chemical composition indicate that chemical parameters may play an important role in resolving taxonomic differences. Because such a small quantity of material is needed, it may be feasible to analyze one or two leaves obtained from herbarium sheets as an additional taxonomic parameter. The antibacterial activity of the acetone extracts was determined using a two-fold serial dilution microplate method with tetrazolium violet as indicator of growth. The specific strains of the four most important nosocomial bacterial pathogens suggested by the United States National Committee for Clinical Laboratory Standards were used: Staphylococcus aureus (American Type Culture Collection 29213, Pseudomonas aeruginosa (ATCC 27853, Escherichia coli (ATCC 25922 and Enterococcus faecalis (ATCC 21212. The minimum inhibitory activity of the

The effect of elevated CO2 on the chemical composition and construction costs of leaves of 27 C3 species

NARCIS (Netherlands)

Poorter, H.; Berkel, Y. van; Baxter, B.; Hertog, J. den; Dijkstra, P.; Gifford, R.M.; Griffin, K.L.; Roumet, C.; Roy, J.; Wong, S.C.

1997-01-01

We determined the proximate chemical composition as well as the construction costs of leaves of 27 species, grown at ambient and at a twice-ambient partial pressure of atmospheric CO₂. These species comprised wild and agricultural herbaceous plants as well as tree seedlings. Both average

Estrogenic chemical effects are independent from the degree of sex role reversal in pipefish.

Science.gov (United States)

Sárria, Marisa P; Santos, Miguel M; Castro, L Filipe C; Vieira, Natividade M; Monteiro, Nuno M

2013-12-15

Endocrine disrupting chemicals (EDCs) have been reported to disturb several ecological relevant endpoints. Surprisingly, EDC-induced effects on fish sexual behaviour have been poorly studied despite the fact that even subtle alterations might contribute to a disruption of sexual interactions, thus negatively impacting reproduction. As the few assessments on sexual behaviour have been conducted in species with orthodox sex roles, it might be argued that sex-role reversed species might provide a potentially complementary system to further explore the effects of EDCs on reproduction. In the present study, two pipefish species with distinct degrees of sex-role reversal were selected to further elucidate the impact of chronic EE2 exposure on sexual behaviour and reproduction-related endpoints. The obtained results indicate that, independently of the degree of sex role reversal, courtship behaviour seems to resist oestrogenic chemical exposure. However, exposure to environmentally relevant EE2 levels did induce a complete absence of pregnancies at 18 ng/L. Even though pregnancies were observed at intermediate concentrations, the percentage of non-transferred or misplaced oocytes increased and a dose-dependent decrease of oocyte volume was observed. Imbalances in the oogenesis process, induction of vitellogenin in males and the absence of pregnancies highlight that environmental relevant concentrations of EE2 have the potential to negatively affect pipefish populations, most of them inhabiting coastal areas where oestrogenic contamination is more prevalent. Copyright © 2013 Elsevier B.V. All rights reserved.

The spatial and temporal distribution of chemical species in Padaviya Reservoir, Sri Lanka.

Science.gov (United States)

Koliyabandara, S. M. P. A.; Siriwardhana, C.; Cooray, P. L. A. T.; Liyanage, S. S.

2017-12-01

Water is one of the most important assets for human life. Eutrophication and pollution are some of the major threats to many freshwater bodies. There are thousands of reservoirs exist in Sri Lanka; however, only a handful of them has been thoroughly monitored and studied. The main objective of this study is to investigate the temporal and spatial distribution of chemical species in Padaviya reservoir which is shallow man-made irrigation reservoir (8°49'30.6" N and 80°46'2.05"E) located in Sri Lanka constructed around 300 BC. The average depth is 8 m and 4 m in wet and dry seasons respectively. It has a catchment area of 270 km2. Water sampling was done at bi-monthly intervals for a period of one year staring from January 2016. Chemical analyses were conducted according to standard protocols. The maximum temperature difference between the surface and bottom waters of the reservoir was 2 °C throughout the year. The surface and bottom water conductivity varied between 175 ± 2.3 to 250 ± 3.0 μS cm-1 and 475 ± 3.7 to 600 ± 4.5 μScm-1 respectively. The average pH of surface and bottom waters varied between 8.5 ± 0.1 to 7.8 ± 0.2 and 7.2 ± 0.02 to 6.8 ± 0.2 respectively. The dissolved oxygen concentration showed a clinograde type distribution throughout the year where the surface waters were well oxygenated (DO ≈ 7.5 ppm) and the bottom waters were anoxic (DO ≈ 0.15 ppm). Ammonia concentration increased with the depth from surface concentration of 150 ± 50 to 300 ± 25 ppb at the bottom. Nitrite distribution was similar to ammonia and the surface concentration was 100 ± 25ppb throughtout the year and at the bottom it varied between 300 ± 30 to 4500 ± 30 ppb. Water soluble phosphate distribution was also similar to ammonia. The surface concentration was 200 ± 20 ppb throughtout the year and varied from 100 ± 20 to 2000 ±20 ppb at the bottom. Nitrate distribution was inverse of the ammonia. The surface concentration was 500 ± 30 to 900 ± 30 ppb

Steam Gasification of Sawdust Biochar Influenced by Chemical Speciation of Alkali and Alkaline Earth Metallic Species

Directory of Open Access Journals (Sweden)

Dongdong Feng

2018-01-01

Full Text Available The effect of chemical speciation (H2O/NH4Ac/HCl-soluble and insoluble of alkali and alkaline earth metallic species on the steam gasification of sawdust biochar was investigated in a lab-scale, fixed-bed reactor, with the method of chemical fractionation analysis. The changes in biochar structures and the evolution of biochar reactivity are discussed, with a focus on the contributions of the chemical speciation of alkali and alkaline earth metallic species (AAEMs on the steam gasification of biochar. The results indicate that H2O/NH4Ac/HCl-soluble AAEMs have a significant effect on biochar gasification rates. The release of K occurs mainly in the form of inorganic salts and hydrated ions, while that of Ca occurs mainly as organic ones. The sp3-rich or sp2-sp3 structures and different chemical-speciation AAEMs function together as the preferred active sites during steam gasification. H2O/HCl-soluble AAEMs could promote the transformation of biochar surface functional groups, from ether/alkene C-O-C to carboxylate COO− in biochar, while they may both be improved by NH4Ac-soluble AAEMs. H2O-soluble AAEMs play a crucial catalytic role in biochar reactivity. The effect of NH4Ac-soluble AAEMs is mainly concentrated in the high-conversion stage (biochar conversion >30%, while that of HCl-soluble AAEMs is reflected in the whole activity-testing stage.

The effect of elevated CO2 on the chemical composition and construction costs of leaves of 27 C-3 species

NARCIS (Netherlands)

Poorter, H; VanBerkel, Y; Baxter, R; DenHertog, J; Dijkstra, P; Gifford, RM; Griffin, KL; Roumet, C; Roy, J

We determined the proximate chemical composition as well as the construction costs of leaves of 27 species, grown at ambient and at a twice-ambient partial pressure of atmospheric CO2, These species comprised wild and agricultural herbaceous plants as well as tree seedlings, Both average responses

Impact of plasma jet vacuum ultraviolet radiation on reactive oxygen species generation in bio-relevant liquids

Energy Technology Data Exchange (ETDEWEB)

Jablonowski, H.; Hammer, M. U.; Reuter, S. [Center for Innovation Competence plasmatis, Felix-Hausdorff-Str. 2, 17489 Greifswald (Germany); Leibniz Institute for Plasma Science and Technology, INP Greifswald e.V. Felix-Hausdorff-Str. 2, 17489 Greifswald (Germany); Bussiahn, R.; Weltmann, K.-D.; Woedtke, Th. von [Leibniz Institute for Plasma Science and Technology, INP Greifswald e.V. Felix-Hausdorff-Str. 2, 17489 Greifswald (Germany)

2015-12-15

Plasma medicine utilizes the combined interaction of plasma produced reactive components. These are reactive atoms, molecules, ions, metastable species, and radiation. Here, ultraviolet (UV, 100–400 nm) and, in particular, vacuum ultraviolet (VUV, 10–200 nm) radiation generated by an atmospheric pressure argon plasma jet were investigated regarding plasma emission, absorption in a humidified atmosphere and in solutions relevant for plasma medicine. The energy absorption was obtained for simple solutions like distilled water (dH{sub 2}O) or ultrapure water and sodium chloride (NaCl) solution as well as for more complex ones, for example, Rosewell Park Memorial Institute (RPMI 1640) cell culture media. As moderate stable reactive oxygen species, hydrogen peroxide (H{sub 2}O{sub 2}) was studied. Highly reactive oxygen radicals, namely, superoxide anion (O{sub 2}{sup •−}) and hydroxyl radicals ({sup •}OH), were investigated by the use of electron paramagnetic resonance spectroscopy. All species amounts were detected for three different treatment cases: Plasma jet generated VUV and UV radiation, plasma jet generated UV radiation without VUV part, and complete plasma jet including all reactive components additionally to VUV and UV radiation. It was found that a considerable amount of radicals are generated by the plasma generated photoemission. From the experiments, estimation on the low hazard potential of plasma generated VUV radiation is discussed.

The influence of stream bed geomorphology on chemical species within the hyporheic zone over time and space

Science.gov (United States)

Quick, A. M.; Reeder, W. J.; Farrell, T. B.; Benner, S. G.; Tonina, D.; Feris, K. P.

2017-12-01

The hyporheic zone is well established as an important zone of biogeochemical activity in streams and rivers. Multiple large scale flume experiments were carried out to mimic bedform-controlled hyporheic zones in small streams. The laboratory setting allowed for geochemical measurement resolution and replicates that would not be possible in a natural setting. Two flume experiments that consisted of three small streams with variable sizes of bedform dunes were carried out in which chemical species were measured in the surface water and along hyporheic flow lines in the subsurface. The species measured included dissolved oxygen, pH, alkalinity, major cations (Na+, Mg2+, Ca2+, K+, Si4+, Al3+), anions (NO3-, NO2-, SO42-, PO43-, Cl-), and many trace elements (As, Sr, Co, Ni, Cu, Zn, Pb, U, V). Observed spatial and temporal trends reflect microbiological processes, changing redox conditions, and chemical weathering. In general, microbial respiration causes DO to decrease with residence time, leading to aerobic and anaerobic zones that influence redox-sensitive species and pH gradients that influence mineral solubility. Most other species concentrations, including those of major cations and trace elements, increase with residence time and generally decrease over time elapsed during the experiment. The different dune morphologies dictate flow velocities in the hyporheic zone; for most species, steeper dunes with higher velocities had lower concentrations at the end of the experiment, indicating the role of dune shape in the weathering rates of minerals in hyporheic sediment and the concentrations of dissolved species entering the surface water over time. Many of the observed trends can be applied, at least qualitatively, to understanding how these species will behave in natural settings. This insight will contribute to the understanding of many of the applications of the hyporheic zone (e.g. bioremediation, habitat, greenhouse gas emissions, etc.).

Comparison of two freshwater turtle species as monitors of radionuclide and chemical contamination: DNA damage and residue analysis

International Nuclear Information System (INIS)

Meyers-Schoene, L.; Shugart, L.R.; Beauchamp, J.J.; Walton, B.T.

1993-01-01

Two species of turtles that occupy different ecological niches were compared for their usefulness as monitors of freshwater ecosystems where both low-level radioactive and nonradioactive contaminants are present. The pond slider (Trachemys scripta) and common snapping turtle (Chelydra serpentina) were analyzed for the presence of 90 Sr, 137 Cs, 60 Co, and Hg, radionuclides and chemicals known to be present at the contaminated site, and single-strand breaks in liver DNA. The integrity of the DNA was examined by the alkaline unwinding assay, a technique that detects strand breaks as a biological marker of possible exposure to genotoxic agents. This measure of DNA damage was significantly increased in both species of turtles at the contaminated site compared with turtles of the same species at a reference site, and shows that contaminant-exposed populations were under more severe genotoxic stress than those at the reference site. The level of strand breaks observed at the contaminated site was high and in the range reported for other aquatic species exposed to deleterious concentrations of genotoxic agents such as chemicals and ionizing radiation. Statistically significantly higher concentrations of radionuclides and Hg were detected in the turtles from the contaminated area. Mercury concentrations were significantly higher in the more carnivorous snapping turtle compared with the slider; however, both species were effective monitors of the contaminants

Development and application of two independent real-time PCR assays to detect clinically relevant Mucorales species.

Science.gov (United States)

Springer, Jan; Goldenberger, Daniel; Schmidt, Friderike; Weisser, Maja; Wehrle-Wieland, Elisabeth; Einsele, Hermann; Frei, Reno; Löffler, Jürgen

2016-03-01

PCR-based detection of Mucorales species could improve diagnosis of suspected invasive fungal infection, leading to a better patient outcome. This study describes two independent probe-based real-time PCR tests for detection of clinically relevant Mucorales, targeting specific fragments of the 18S and the 28S rRNA genes. Both assays have a short turnaround time, allow fast, specific and very sensitive detection of clinically relevant Mucorales and have the potential to be used as quantitative tests. They were validated on various clinical samples (fresh and formalin-fixed paraffin-embedded specimens, mainly biopsies, n = 17). The assays should be used as add-on tools to complement standard techniques; a combined approach of both real-time PCR assays has 100 % sensitivity. Genus identification by subsequent sequencing is possible for amplicons of the 18S PCR assay. In conclusion, combination of the two independent Mucorales assays described in this study, 18S and 28S, detected all clinical samples associated with proven Mucorales infection (n = 10). Reliable and specific identification of Mucorales is a prerequisite for successful antifungal therapy as these fungi show intrinsic resistance to voriconazole and caspofungin.

Matrix-assisted laser desorption ionization time-of-flight mass spectrometry for fast and accurate identification of clinically relevant Aspergillus species.

Science.gov (United States)

Alanio, A; Beretti, J-L; Dauphin, B; Mellado, E; Quesne, G; Lacroix, C; Amara, A; Berche, P; Nassif, X; Bougnoux, M-E

2011-05-01

New Aspergillus species have recently been described with the use of multilocus sequencing in refractory cases of invasive aspergillosis. The classical phenotypic identification methods routinely used in clinical laboratories failed to identify them adequately. Some of these Aspergillus species have specific patterns of susceptibility to antifungal agents, and misidentification may lead to inappropriate therapy. We developed a matrix-assisted laser desorption ionization time-of-flight (MALDI-TOF) mass spectrometry (MS)-based strategy to adequately identify Aspergillus species to the species level. A database including the reference spectra of 28 clinically relevant species from seven Aspergillus sections (five common and 23 unusual species) was engineered. The profiles of young and mature colonies were analysed for each reference strain, and species-specific spectral fingerprints were identified. The performance of the database was then tested on 124 clinical and 16 environmental isolates previously characterized by partial sequencing of the β-tubulin and calmodulin genes. One hundred and thirty-eight isolates of 140 (98.6%) were correctly identified. Two atypical isolates could not be identified, but no isolate was misidentified (specificity: 100%). The database, including species-specific spectral fingerprints of young and mature colonies of the reference strains, allowed identification regardless of the maturity of the clinical isolate. These results indicate that MALDI-TOF MS is a powerful tool for rapid and accurate identification of both common and unusual species of Aspergillus. It can give better results than morphological identification in clinical laboratories. © 2010 The Authors. Clinical Microbiology and Infection © 2010 European Society of Clinical Microbiology and Infectious Diseases.

Exploring internal features of 16S rRNA gene for identification of clinically relevant species of the genus Streptococcus

Science.gov (United States)

2011-01-01

Background Streptococcus is an economically important genus as a number of species belonging to this genus are human and animal pathogens. The genus has been divided into different groups based on 16S rRNA gene sequence similarity. The variability observed among the members of these groups is low and it is difficult to distinguish them. The present study was taken up to explore 16S rRNA gene sequence to develop methods that can be used for preliminary identification and can supplement the existing methods for identification of clinically-relevant isolates of the genus Streptococcus. Methods 16S rRNA gene sequences belonging to the isolates of S. dysgalactiae, S. equi, S. pyogenes, S. agalactiae, S. bovis, S. gallolyticus, S. mutans, S. sobrinus, S. mitis, S. pneumoniae, S. thermophilus and S. anginosus were analyzed with the purpose to define genetic variability within each species to generate a phylogenetic framework, to identify species-specific signatures and in-silico restriction enzyme analysis. Results The framework based analysis was used to segregate Streptococcus spp. previously identified upto genus level. This segregation was validated using species-specific signatures and in-silico restriction enzyme analysis. 43 uncharacterized Streptococcus spp. could be identified using this approach. Conclusions The markers generated exploring 16S rRNA gene sequences provided useful tool that can be further used for identification of different species of the genus Streptococcus. PMID:21702978

Antimicrobial Activity and Chemical Composition of Essential Oils from Verbenaceae Species Growing in South America

Directory of Open Access Journals (Sweden)

Cristina M. Pérez Zamora

2018-03-01

Full Text Available The Verbenaceae family includes 2600 species grouped into 100 genera with a pantropical distribution. Many of them are important elements of the floras of warm-temperature and tropical regions of America. This family is known in folk medicine, and its species are used as digestive, carminative, antipyretic, antitussive, antiseptic, and healing agents. This review aims to collect information about the essential oils from the most reported species of the Verbenaceae family growing in South America, focusing on their chemical composition, antimicrobial activity, and synergism with commercial antimicrobials. The information gathered comprises the last twenty years of research within the South American region and is summarized taking into consideration the most representative species in terms of their essential oils. These species belong to Aloysia, Lantana, Lippia, Phyla, and Stachytarpheta genera, and the main essential oils they contain are monoterpenes and sesquiterpenes, such as β-caryophyllene, thymol, citral, 1,8-cineole, carvone, and limonene. These compounds have been found to possess antimicrobial activities. The synergism of these essential oils with antibiotics is being studied by several research groups. It constitutes a resource of interest for the potential use of combinations of essential oils and antibiotics in infection treatments.

Chemical reactions in the nitrogen-acetone ice induced by cosmic ray analogues: relevance for the Solar system

Science.gov (United States)

de Barros, A. L. F.; Andrade, D. P. P.; da Silveira, E. F.; Alcantara, K. F.; Boduch, P.; Rothard, H.

2018-02-01

The radiolysis of 10:1 nitrogen:acetone mixture, condensed at 11 K, by 40 MeV 58Ni11 + ions is studied. These results are representative of studies concerning Solar system objects, such as transneptunian objects, exposed to cosmic rays. Bombardment by cosmic rays triggers chemical reactions leading to synthesis of larger molecules. In this work, destruction cross-sections of acetone and nitrogen molecules in solid phase are determined and compared with those for pure acetone. The N2 column density decreases very fast indicating that, under irradiation, nitrogen leaves quickly a porous sample. The most abundant molecular species formed in the radiolysis are C3H6, C2H6, N3, CO, CH4 and CO2. Some N-bearing species are also formed, but with low production yield. Dissolving acetone in nitrogen decreases the formation cross-sections of CH4, CO2 and H2CO, while increases those for CO and C2H6 species. This fact may explain the presence of C2H6 in Pluto's surface where CH4 is not pure, but diluted in an N2 matrix. The formation of more complex molecules, such as HNCO and, possibly, glycine is observed, suggesting the formation of small prebiotic species in objects beyond Neptune from acetone diluted in a N2 matrix irradiated by cosmic rays.

A novel technology for neutralizing acidity and attenuating toxic chemical species from acid mine drainage using cryptocrystalline magnesite tailings

CSIR Research Space (South Africa)

Masindi, Vhahangwele

2016-04-01

Full Text Available neutralize and attenuate elevated concentrations of chemical species in AMD to within prescribed legal frameworks for water use in agricultural and industrial sectors in South Africa....

Soil-to-plant transfer of elements is not linear: Results for five elements relevant to radioactive waste in five boreal forest species

Energy Technology Data Exchange (ETDEWEB)

Tuovinen, Tiina S.; Roivainen, Paeivi, E-mail: paivi.roivainen@uef.fi; Makkonen, Sari; Kolehmainen, Mikko; Holopainen, Toini; Juutilainen, Jukka

2011-12-01

Element-specific concentration ratios (CRs) assuming that plant uptake of elements is linear are commonly used in radioecological modelling to describe the soil-to-plant transfer of elements. The goal of this study was to investigate the validity of the linearity assumption in boreal forest plants, for which only limited relevant data are available. The soil-to-plant transfer of three essential (Mo, Ni, Zn) and two non-essential (Pb, U) elements relevant to the safety of radioactive waste disposal was studied. Three understory species (blueberry, narrow buckler fern and May lily) and two tree species (Norway spruce and rowan) were included. Examining CRs as a function of soil concentration showed that CR was not constant but decreased with increasing soil concentrations for all elements and plant species. A non-linear equation fitted fairly well with the empirical data; the R{sup 2}-values for this equation were constantly higher than those for the linear fit. The difference between the two fits was most evident at low soil concentrations where the use of constant CRs underestimated transfer from soil to plants. Site-specific factors affected the transfer of Mo and Ni. The results suggested that systematic variation with soil concentrations explains a part of the large variation of empirically determined CRs, and the accuracy of modelling the soil-to-plant transfer might be improved by using non-linear methods. Non-linearity of soil-to-plant transfer has been previously reported for a few different species, elements and environments. The present study systematically tested the linearity assumption for five elements (both essential and non-essential) and in five boreal forest species representing different growth traits and phylogenies. The data supported non-linearity in all cases.

Soil-to-plant transfer of elements is not linear: Results for five elements relevant to radioactive waste in five boreal forest species

International Nuclear Information System (INIS)

Tuovinen, Tiina S.; Roivainen, Päivi; Makkonen, Sari; Kolehmainen, Mikko; Holopainen, Toini; Juutilainen, Jukka

2011-01-01

Element-specific concentration ratios (CRs) assuming that plant uptake of elements is linear are commonly used in radioecological modelling to describe the soil-to-plant transfer of elements. The goal of this study was to investigate the validity of the linearity assumption in boreal forest plants, for which only limited relevant data are available. The soil-to-plant transfer of three essential (Mo, Ni, Zn) and two non-essential (Pb, U) elements relevant to the safety of radioactive waste disposal was studied. Three understory species (blueberry, narrow buckler fern and May lily) and two tree species (Norway spruce and rowan) were included. Examining CRs as a function of soil concentration showed that CR was not constant but decreased with increasing soil concentrations for all elements and plant species. A non-linear equation fitted fairly well with the empirical data; the R 2 -values for this equation were constantly higher than those for the linear fit. The difference between the two fits was most evident at low soil concentrations where the use of constant CRs underestimated transfer from soil to plants. Site-specific factors affected the transfer of Mo and Ni. The results suggested that systematic variation with soil concentrations explains a part of the large variation of empirically determined CRs, and the accuracy of modelling the soil-to-plant transfer might be improved by using non-linear methods. Non-linearity of soil-to-plant transfer has been previously reported for a few different species, elements and environments. The present study systematically tested the linearity assumption for five elements (both essential and non-essential) and in five boreal forest species representing different growth traits and phylogenies. The data supported non-linearity in all cases.

Comparison of the chemical compositions and nutritive values of various pumpkin (Cucurbitaceae) species and parts

Science.gov (United States)

Kim, Mi Young; Kim, Eun Jin; Kim, Young-Nam; Choi, Changsun

2012-01-01

Pumpkins have considerable variation in nutrient contents depending on the cultivation environment, species, or part. In this study, the general chemical compositions and some bioactive components, such as tocopherols, carotenoids, and β-sitosterol, were analyzed in three major species of pumpkin (Cucurbitaceae pepo, C. moschata, and C. maxima) grown in Korea and also in three parts (peel, flesh, and seed) of each pumpkin species. C. maxima had significantly more carbohydrate, protein, fat, and fiber than C. pepo or C. moschata (P pumpkin was highest in C. pepo. The major fatty acids in the seeds were palmitic, stearic, oleic, and linoleic acids. C. pepo and C. moschata seeds had significantly more γ-tocopherol than C. maxima, whose seeds had the highest β-carotene content. C. pepo seeds had significantly more β-sitosterol than the others. Nutrient compositions differed considerably among the pumpkin species and parts. These results will be useful in updating the nutrient compositions of pumpkin in the Korean food composition database. Additional analyses of various pumpkins grown in different years and in different areas of Korea are needed. PMID:22413037

Chemical composition and antibacterial activities of seven Eucalyptus species essential oils leaves.

Science.gov (United States)

Sebei, Khaled; Sakouhi, Fawzi; Herchi, Wahid; Khouja, Mohamed Larbi; Boukhchina, Sadok

2015-01-19

In this paper, we have studied the essential oils chemical composition of the leaves of seven Eucalyptus species developed in Tunisia. Eucalyptus leaves were picked from trees growing in different arboretums in Tunisia. Choucha and Mrifeg arboretums located in Sedjnene, region of Bizerte (Choucha: E. maideni, E. astrengens et E. cinerea; Mrifeg : E. leucoxylon), Korbous arboretums located in the region of Nabeul, North East Tunisia with sub-humid bioclimate, (E. lehmani), Souiniet-Ain Drahem arboretum located in region of Jendouba (E. sideroxylon, E. bicostata). Essential oils were individually tested against a large panel of microorganisms including Staphylococcus aureus (ATCC 6539), Escherichia coli (ATCC 25922), Enterococcus faecalis (ATCC29212), Listeria ivanovii (RBL 30), Bacillus cereus (ATCC11778). The yield of essential oils ranged from 1.2% to 3% (w/w) for the different Eucalyptus species. All essential oils contain α-pinene, 1,8-cineol and pinocarveol-trans for all Eucalyptus species studied. The 1,8-cineol was the major compound in all species (49.07 to 83.59%). Diameter of inhibition zone of essential oils of Eucalyptus species varied from 10 to 29 mm. The largest zone of inhibition was obtained for Bacillus cereus (E. astrengens) and the lowest for Staphylococcus aureus (E. cinerea). The essential oils from E. maideni, E. astrengens, E. cinerea (arboretum of Bizerte), E. bicostata (arboretum of Aindraham) showed the highest antibacterial activity against Listeria ivanovii and Bacillus cereus. The major constituents of Eucalyptus leaves essential oils are 1,8-cineol (49.07 to 83.59%) and α-pinene (1.27 to 26.35%). The essential oils from E. maideni, E. astrengens, E. cinerea, E. bicostata showed the highest antibacterial activity against Listeria ivanovii and Bacillus cereus, they may have potential applications in food and pharmaceutical products.

Chemical composition of some wild peanut species (Arachis L.) seeds.

Science.gov (United States)

Grosso, N R; Nepote, V; Guzmán, C A

2000-03-01

Oil, protein, ash, and carbohydrate contents, iodine value, and fatty acid and sterol compositions were studied in seeds of Arachis trinitensis, A. chiquitana, A. kempff-mercadoi, A. diogoi, A. benensis, A. appressipila, A. valida, A. kretschmeri, A. helodes, A. kuhlmannii, A. williamsii, A. sylvestris, A. matiensis, A. pintoi, A. hoehnei, A. villosa, and A. stenosperma. Oil content was greatest in A.stenosperma (mean value = 51.8%). The protein level was higher in A. sylvestris (30.1%) and A. villosa (29.5%). Mean value of oleic acid varied between 30.6% (A. matiensis) and 46.8% (Arachis villosa), and linoleic acid oscillated between 34.1% (A. villosa) and 47.4% (A. appressipila). The better oleic-to-linoleic (O/L) ratio was exhibited by A. villosa (1.38). Some species showed higher concentration of behenic acid. The greatest level of this fatty acid was found in A. matiensis (6.2%). Iodine value was lower in A. valida (99.2). The sterol composition in the different peanut species showed higher concentration of beta-sitosterol (mean values oscillated between 55.7 and 60.2%) followed by campesterol (12.4-16. 5%), stigmasterol (9.7-13.3%), and Delta(5)-avenasterol (9.7-13.4%). The chemical quality and stability of oils (iodine value and O/L ratio) from wild peanut studied in this work are not better than those of cultivated peanut.

A Review of Botany and Pharmacological Effect and Chemical Composition of Echinophora Species Growing in Iran.

Science.gov (United States)

Hosseini, Zohreh; Lorigooini, Zahra; Rafieian-Kopaei, Mahmoud; Shirmardi, Hamzeh Ali; Solati, Kamal

2017-01-01

This review was conducted to investigate the botany, phytochemistry, and pharmacological properties of Echinophora species. The information of this review was obtained by searching for keywords Apiaceae , Echinophora , pharmacological effects, and traditional and modern medicine in scientific articles and books published in search engines Scopus, Google Scholar, Science Direct, PubMed, and Web of Science. The traditional uses of Echinophora and the existence of valuable phytochemicals in the plant have led to isolation and drug discovery of natural medicines such as antibiotic, analgesics, and anticancer drugs, and the beneficial effects of these plants can widely be used in healthcare. Echinophora species are medicinal and aromatic plants that are belong to Apiaceae family. This genus have four species in Iran. The botany, geographical distribution, traditional and pharmacological effects of Echinophora genus were described. Also, the major chemical constituents of the essential oil and extract of different species of Echinophora that have been reported. Overall, the existence of valuable phytochemicals purpose Echinophora species as novel candidate to isolation and drug discovery of natural medicines such as antibiotic, analgesics, and anticancer drugs.

Molecular activation analysis for chemical speciation studies

International Nuclear Information System (INIS)

Chai-Chifang

1998-01-01

The term of Molecular Activation Analysis (MAA) refers to an activation analysis method that is able to provide information about the chemical species of elements in system of interests, though its definition has remained to be assigned. Its development is strongly stimulated by the urgent need to know the chemical species of elements, because the total concentrations are often without any meaning when assessing health or environmental risks of trace elements.In practice, the MAA is a combination of conventional instrumental or radiochemical activation analysis and physical, chemical or biochemical separation techniques. The MAA is able to play a particular role in speciation studies. However, the critical point in the MAA is that it is not permitted to change the primitive chemical species of elements in systems, or the change has to be under control; in the meantime it is not allowed to form the 'new artifact' originally not present in systems. Some practical examples of MAA for chemical species research performed recently in our laboratory will be presented as follows: Chemical species of platinum group elements in sediment; Chemical species of iodine in marine algae; Chemical species of mercury in human tissues; Chemical species of selenium in corn; Chemical species of rare earth elements in natural plant, etc. The merits and limitations of MAA will be described as well. (author)

Campylobacter species in animal, food, and environmental sources, and relevant testing programs in Canada.

Science.gov (United States)

Huang, Hongsheng; Brooks, Brian W; Lowman, Ruff; Carrillo, Catherine D

2015-10-01

Campylobacter species, particularly thermophilic campylobacters, have emerged as a leading cause of human foodborne gastroenteritis worldwide, with Campylobacter jejuni, Campylobacter coli, and Campylobacter lari responsible for the majority of human infections. Although most cases of campylobacteriosis are self-limiting, campylobacteriosis represents a significant public health burden. Human illness caused by infection with campylobacters has been reported across Canada since the early 1970s. Many studies have shown that dietary sources, including food, particularly raw poultry and other meat products, raw milk, and contaminated water, have contributed to outbreaks of campylobacteriosis in Canada. Campylobacter spp. have also been detected in a wide range of animal and environmental sources, including water, in Canada. The purpose of this article is to review (i) the prevalence of Campylobacter spp. in animals, food, and the environment, and (ii) the relevant testing programs in Canada with a focus on the potential links between campylobacters and human health in Canada.

Status of chemical elements in Atlantic Forest tree species near an industrial complex

International Nuclear Information System (INIS)

Araujo, A.L.L.; Fernandes, E.A.N.; Franca, E.J.; Bacchi, M.A.

2008-01-01

Environmental quality assessment studies have been conducted with tree species largely distributed in the Atlantic Forest. Leaf and soil samples were collected in the conservation unit Parque Estadual da Serra do Mar (PESM) nearby the industrial complex of Cubatao, Sao Paulo State, Brazil, and analyzed for chemical elements by instrumental neutron activation analysis. Results were compared to background values obtained in the Parque Estadual Carlos Botelho (PECB). The higher As, Fe, Hg and Zn mass fractions in the tree leaves of PESM indicated anthropogenic influence on this conservation unit. (author)

The Chemical Aquatic Fate and Effects database (CAFE), a tool that supports assessments of chemical spills in aquatic environments.

Science.gov (United States)

Bejarano, Adriana C; Farr, James K; Jenne, Polly; Chu, Valerie; Hielscher, Al

2016-06-01

The Chemical Aquatic Fate and Effects (CAFE) database is a centralized repository that allows for rapid and unrestricted access to data. Information in CAFE is integrated into a user-friendly tool with modules containing fate and effects data for 32 377 and 4498 chemicals, respectively. Toxicity data are summarized in the form of species sensitivity distributions (SSDs) with associated 1st and 5th percentile hazard concentrations (HCs). An assessment of data availability relative to reported chemical incidents showed that CAFE had fate and toxicity data for 32 and 20 chemicals, respectively, of 55 chemicals reported in the US National Response Center database (2000-2014), and fate and toxicity data for 86 and 103, respectively, of 205 chemicals reported by the National Oceanic and Atmospheric Administration (2003-2014). Modeled environmental concentrations of 2 hypothetical spills (acrylonitrile, 625 barrels; and denatured ethanol, 857 barrels) were used to demonstrate CAFE's practical application. Most species in the 24-h SSD could be potentially impacted by acrylonitrile and denatured ethanol during the first 35 min and 15 h post spill, respectively, with concentrations falling below their HC5s (17 mg/L and 2676 mg/L) at 45 min and 60 h post spill, respectively. Comparisons of CAFE-based versus published HC5 values for 100 chemicals showed that nearly half of values were within a 2-fold difference, with a relatively small number of comparisons exceeding a 10-fold difference. The development of CAFE facilitates access to relevant environmental information, with potential uses likely expanding beyond those related to assessment of spills in aquatic environments. Environ Toxicol Chem 2016;35:1576-1586. © 2015 SETAC. © 2015 SETAC.

The biological activities and chemical composition of Pereskia species (Cactaceae)--a review.

Science.gov (United States)

Pinto, Nícolas de Castro Campos; Scio, Elita

2014-09-01

The exploration of nature as a source of sustainable, novel bioactive substances continues to grow as natural products play a significant role in the search for new therapeutic and agricultural agents. In this context, plants of the genus Pereskia (Cactaceae) have been studied for their biological activities, and are evolving as an interesting subject in the search for new, bioactive compounds. These species are commonly used as human foodstuffs and in traditional medicine to treat a variety of diseases. This review focuses on the bioactivity and chemical composition of the genus Pereskia, and aims to stimulate further studies on the chemistry and biological potential of the genus.

Systematic reduction of complex tropospheric chemical mechanisms, Part II: Lumping using a time-scale based approach

Directory of Open Access Journals (Sweden)

L. E. Whitehouse

2004-01-01

Full Text Available This paper presents a formal method of species lumping that can be applied automatically to intermediate compounds within detailed and complex tropospheric chemical reaction schemes. The method is based on grouping species with reference to their chemical lifetimes and reactivity structures. A method for determining the forward and reverse transformations between individual and lumped compounds is developed. Preliminary application to the Leeds Master Chemical Mechanism (MCMv2.0 has led to the removal of 734 species and 1777 reactions from the scheme, with minimal degradation of accuracy across a wide range of test trajectories relevant to polluted tropospheric conditions. The lumped groups are seen to relate to groups of peroxy acyl nitrates, nitrates, carbonates, oxepins, substituted phenols, oxeacids and peracids with similar lifetimes and reaction rates with OH. In combination with other reduction techniques, such as sensitivity analysis and the application of the quasi-steady state approximation (QSSA, a reduced mechanism has been developed that contains 35% of the number of species and 40% of the number of reactions compared to the full mechanism. This has led to a speed up of a factor of 8 in terms of computer calculation time within box model simulations.

Size, Composition, and Sources of Health Relevant Particulate Matter in the San Joaquin Valley

Science.gov (United States)

Ham, Walter Allan

Particulate Matter (PM) is an environment contaminant that has been associated with adverse health effects in epidemiological and toxicological studies. Atmospheric PM is made up of a diverse array of chemical species that are emitted from multiple sources across a range of aerodynamic diameters spanning several orders of magnitude. The focus of the present work was the characterization of ambient PM with aerodynamic diameters below 1.8 mum (PM1.8) in 6 size sub-fractions including PM0.1. Chemical species measured included organic carbon, elemental carbon, water soluble ions, trace metals, and organic molecular markers in urban and rural environments in the San Joaquin Valley. These measurements were used to determine differences in relative diurnal size distributions during a severe winter stagnation event, seasonal changes in PM size and composition, and the source origin of carbonaceous PM. This size-resolved information was used to calculate lung deposition patterns of health relevant PM species to evaluate seasonal differences in PM dose. By accurately calculating PM dose, researchers are able to more directly link ambient PM characterization data with biological endpoints. All of these results are used to support ongoing toxicological health effects studies. These types of analyses are important as this type of information may assist regulators with developing control strategies to reduce health effects caused by particulate air pollution.

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

DEFF Research Database (Denmark)

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

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

Evaluation of P-glycoprotein expression in pain relevant tissues: understanding translation of efflux from preclinical species to human

Directory of Open Access Journals (Sweden)

Renu Singh Dhanikula

2016-10-01

Full Text Available Various efflux transporters, such as P-glycoprotein (P-gp are now widely accepted to have profound influence on the disposition of substrates. Nevertheless, there is paucity of information about their expression and functionality in the pain relevant tissues (such as brain, spinal cord and dorsal root ganglia (DRG across various species. Therefore, our attempts were directed at evaluating P-gp expression in these tissues to understand its effect on the central nervous system (CNS disposition. As a means of characterizing the normal tissue distribution of P-gp, immunohistochemistry was performed with two antibodies (C219 and H241 directed against different epitopes of MDR1 gene. Notable expression of P-gp was detected in the DRG of Sprague Dawley rat, Beagle Dog, Cynomolgous monkey as well as human. The expression of P-gp was observed in the CNS tissues with evident species differences, the expression of P-gp in human brain and spinal cord was lower than in rats and dogs but relatively comparable to that in monkeys. However, no species related differences were seen in the expression at the DRG level. Double-labelling using an antibody against a marker of endothelial cells confirmed that P-gp was exclusively localized in capillary endothelial cells. This study highlights the cross species similarities and differences in the expression of P-gp and thus serves as a vital step in understanding the translation of exposure of P-gp substrates to human.

Aquatic plants: Test species sensitivity and minimum data requirement evaluations for chemical risk assessments and aquatic life criteria development for the USA

Science.gov (United States)

Phytotoxicity results from the publicly-available ECOTOX database were summarized for 20 chemicals and 188 aquatic plants to determine species sensitivities and the ability of a species-limited toxicity data set to serve as a surrogate for a larger data set. The lowest effect con...

Determining High-Quality Critical Body Residues for Multiple Species and Chemicals by Applying Improved Experimental Design and Data Interpretation Concepts

DEFF Research Database (Denmark)

van der Heijden, Stephan A.; Hermens, Joop L. M.; Sinnige, Theo L.

2015-01-01

Ecotoxicological effect data are generally expressed as effective concentrations in the external exposure medium and do thus not account for differences in chemical uptake, bioavailability, and metabolism, which can introduce substantial data variation. The Critical Body Residue (CBR) concept......, and by a factor of 2.6 between the three species but for individual chemicals. Accounting for the chemicals internal distribution to different partitioning domains and relating effects to estimated concentrations in the target compartment (i.e., membrane lipids) was expected to but did not decrease the overall...

Chemical wiring and soldering toward all-molecule electronic circuitry.

Science.gov (United States)

Okawa, Yuji; Mandal, Swapan K; Hu, Chunping; Tateyama, Yoshitaka; Goedecker, Stefan; Tsukamoto, Shigeru; Hasegawa, Tsuyoshi; Gimzewski, James K; Aono, Masakazu

2011-06-01

Key to single-molecule electronics is connecting functional molecules to each other using conductive nanowires. This involves two issues: how to create conductive nanowires at designated positions, and how to ensure chemical bonding between the nanowires and functional molecules. Here, we present a novel method that solves both issues. Relevant functional molecules are placed on a self-assembled monolayer of diacetylene compound. A probe tip of a scanning tunneling microscope is then positioned on the molecular row of the diacetylene compound to which the functional molecule is adsorbed, and a conductive polydiacetylene nanowire is fabricated by initiating chain polymerization by stimulation with the tip. Since the front edge of chain polymerization necessarily has a reactive chemical species, the created polymer nanowire forms chemical bonding with an encountered molecular element. We name this spontaneous reaction "chemical soldering". First-principles theoretical calculations are used to investigate the structures and electronic properties of the connection. We demonstrate that two conductive polymer nanowires are connected to a single phthalocyanine molecule. A resonant tunneling diode formed by this method is discussed. © 2011 American Chemical Society

Microspectroscopic imaging of solution plasma: How do its physical properties and chemical species evolve in atmospheric-pressure water vapor bubbles?

Science.gov (United States)

Yui, Hiroharu; Banno, Motohiro

2018-01-01

In this article, we review the development of scientific instruments for obtaining information on the evolution of physical properties and chemical species of solution plasma (SP). When a pulsed high voltage is applied between electrodes immersed in an aqueous solution, SP is formed in water vapor bubbles transiently generated in the solution under atmospheric pressure. To clarify how SP emerges in water vapor bubbles and is sustained in solutions, an instrument with micrometer spatial resolution and nanosecond temporal resolution is required. To meet these requirements, a microscopic system with a custom-made optical discharge cell was newly developed, where the working distance between the SP and the microscopic objective lens was minimized. A hollow electrode equipped in the discharge cell also enabled us to control the chemical composition in water vapor bubbles. To study the spatial and temporal evolutions of chemical species in micrometer and nano- to microsecond regions, a streak camera with a spectrometer and a CCD detector with a time-gated electronic device were combined with the microscope system. The developed instrument is expected to contribute to providing a new means of developing new schemes for chemical reactions and material syntheses.

Protectiveness of Species Sensitivity Distribution Hazard Concentrations for Acute Toxicity Used in Endangered Species Risk Assessment

Science.gov (United States)

A primary objective of threatened and endangered species conservation is to ensure that chemical contaminants and other stressors do not adversely affect listed species. Assessments of the ecological risks of chemical exposures to listed species often rely on the use of surrogate...

Global Modeling of Uranium Molecular Species Formation Using Laser-Ablated Plasmas

Science.gov (United States)

Curreli, Davide; Finko, Mikhail; Azer, Magdi; Armstrong, Mike; Crowhurst, Jonathan; Radousky, Harry; Rose, Timothy; Stavrou, Elissaios; Weisz, David; Zaug, Joseph

2016-10-01

Uranium is chemically fractionated from other refractory elements in post-detonation nuclear debris but the mechanism is poorly understood. Fractionation alters the chemistry of the nuclear debris so that it no longer reflects the chemistry of the source weapon. The conditions of a condensing fireball can be simulated by a low-temperature plasma formed by vaporizing a uranium sample via laser heating. We have developed a global plasma kinetic model in order to model the chemical evolution of U/UOx species within an ablated plasma plume. The model allows to track the time evolution of the density and energy of an uranium plasma plume moving through an oxygen atmosphere of given fugacity, as well as other relevant quantities such as average electron and gas temperature. Comparison of model predictions with absorption spectroscopy of uranium-ablated plasmas provide preliminary insights on the key chemical species and evolution pathways involved during the fractionation process. This project was sponsored by the DoD, Defense Threat Reduction Agency, Grant HDTRA1-16-1-0020. This work was performed in part under the auspices of the U.S. DoE by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Exploring Chemical Routes Relevant to the Toxicity of Paracetamol and Its meta-Analogue at a Molecular Level.

Science.gov (United States)

Castañeda-Arriaga, Romina; Galano, Annia

2017-06-19

Several chemical routes related to the toxicity of paracetamol (APAP, also known as acetaminophen), its analogue N-acetyl-m-aminophenol (AMAP), and their deacetylated derivatives, were investigated using the density functional theory. It was found that AMAP is more resilient to chemical oxidation than APAP. The chemical degradation of AMAP into radical intermediates is predicted to be significant only when it is induced by strong oxidants. This might explain the apparent contradictions among experimental evidence regarding AMAP toxicity. All of the investigated species are incapable of oxidizing DNA, but they can damage lipids by H atom transfer (HAT) from the bis-allylic site, with the phenoxyl radical of AMAP being the most threatening to the lipids' chemical integrity. Regarding protein damage, Cys residues were identified as the most likely targets. The damage in this case may involve two different routes: (i) HAT from the thiol site by phenoxyl radicals and (ii) protein arylation by the quinone imine (QI) derivatives. Both are not only thermochemically viable, but also are very fast reactions. According to the mechanism identified here as the most likely one for protein arylation, a rather large concentration of QI would be necessary for this damage to be significant. This might explain why APAP is nontoxic in therapeutic doses, while overdoses can result in hepatic toxicity. In addition, the QI derived from both APAP and AMAP were found to be capable of inflicting this kind of damage. In addition, it is proposed that they might increase • OH production via the Fenton reaction, which would contribute to their toxicity.

Use of early phenotypic in vivo markers to assess human relevance of an unusual rodent non-genotoxic carcinogen in vitro

International Nuclear Information System (INIS)

Boess, Franziska; Lenz, Barbara; Funk, Juergen; Niederhauser, Urs; Bassett, Simon; Zhang, Jitao David; Singer, Thomas; Roth, Adrian B.

2017-01-01

Highlights: • RG3487 induced foci of altered hepatocytes and subsequent liver tumors in rats. • Early phenotypic markers preceding foci appearance in rats were identified. • These early foci markers could be recapitulated in cellular rat liver models. • A species comparison using rat, mouse and dog liver cell models qualified the approach. • In vitro human data support non-human-relevance for RG3487 induced foci formation. - Abstract: Foci of altered hepatocytes (FAH) are considered putative, pre-neoplastic lesions that can occur spontaneously in aging rodents, but can also be induced by chemicals or drugs. Progression of FAH to hepatocellular neoplasms has been reported repeatedly but increases in foci in rodents do not necessarily lead to tumors in carcinogenicity studies and the relevance for humans often remains unclear. Here we present the case of RG3487, a molecule which induced FAH and, later on, tumors in rats. Because the molecule was negative in genotoxicity assays it was classified as a non-genotoxic carcinogen. In order to assess the potential for liver tumor formation in humans, we analyzed treatment-induced changes in vivo to establish a possible mode of action (MoA). In vivo and in vitro gene expression analysis revealed that nuclear receptor signaling was unlikely to be the relevant MoA and no other known mechanism could be established. We therefore took an approach comparing phenotypic markers, including mRNA changes, proliferation and glycogen accumulation, in vitro using cells of different species to assess the human relevance of this finding. Since the alterations observed in rats were not seen in the liver of mice or dogs in vivo, we could validate the relevance of the cell models chosen by use of hepatocytes from these species in vitro. This ultimately allowed for a cross-species comparison, which suggested that the formation of FAH and liver tumors was rat specific and unlikely to translate to human. Our work showed that phenotypic

Chemically reactive species in liquids generated by atmospheric-pressure plasmas and their roles in plasma medicine

International Nuclear Information System (INIS)

Hamaguchi, Satoshi

2013-01-01

Plasmas whose gas temperatures are close to room temperature may be generated in ambient air or a gas at atmospheric pressure with the use of low-frequency high voltage or low-power radio-frequency (RF) or microwave power applied to electrodes. Such plasmas can serve as a powerful source of free radicals and/or chemically reactive species that arise from atoms and molecules of the ambient gas. Recently use of such plasmas for medical purposes has attracted much attention as they can be implemented in possible medical devices that can cause blood coagulation, heal wounds, facilitate angiogenesis, sterilize surgical devices as well as living tissues without harming healthy cells, and selectively inactivate cancer cells. Especially of interest among reactive species generated by atmospheric-pressure plasmas (APP) are reactive oxygen species (ROS) and reactive nitrogen species (RNS) that are generated in liquid phase. Since most living tissues and cells are immersed in liquids (such as blood or culture media), reactive species generated by APPs in the gas phase are transported to the liquid phase and possibly converted to different types of reactive species therein before causing some influence on the tissues or cells. In this study, the rate equations are solved to evaluate concentrations of various reactive species in pure water that are originated by plasma reactions in atmosphere and possible effects of such species (including ROS/RNS) on living tissues and cells are discussed

Chemically reactive species in liquids generated by atmospheric-pressure plasmas and their roles in plasma medicine

Energy Technology Data Exchange (ETDEWEB)

Hamaguchi, Satoshi [Center for Atomic and Molecular Technologies, Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871 (Japan)

2013-07-11

Plasmas whose gas temperatures are close to room temperature may be generated in ambient air or a gas at atmospheric pressure with the use of low-frequency high voltage or low-power radio-frequency (RF) or microwave power applied to electrodes. Such plasmas can serve as a powerful source of free radicals and/or chemically reactive species that arise from atoms and molecules of the ambient gas. Recently use of such plasmas for medical purposes has attracted much attention as they can be implemented in possible medical devices that can cause blood coagulation, heal wounds, facilitate angiogenesis, sterilize surgical devices as well as living tissues without harming healthy cells, and selectively inactivate cancer cells. Especially of interest among reactive species generated by atmospheric-pressure plasmas (APP) are reactive oxygen species (ROS) and reactive nitrogen species (RNS) that are generated in liquid phase. Since most living tissues and cells are immersed in liquids (such as blood or culture media), reactive species generated by APPs in the gas phase are transported to the liquid phase and possibly converted to different types of reactive species therein before causing some influence on the tissues or cells. In this study, the rate equations are solved to evaluate concentrations of various reactive species in pure water that are originated by plasma reactions in atmosphere and possible effects of such species (including ROS/RNS) on living tissues and cells are discussed.

In vitro activity of natural and chemical products on sporulation of Eimeria species oocysts of chickens.

Science.gov (United States)

Gadelhaq, Sahar M; Arafa, Waleed M; Abolhadid, Shawky M

2018-02-15

This study was designed to investigate the ability of two herbal extracts and different chemical substances to inhibit or disrupt sporulation of Eimeria species oocysts of the chickens. The two herbal extracts were Allium sativum (garlic) and Moringa olifiera while the chemical substances included commercial disinfectants and diclazuril. Field isolates of Eimeria oocysts were propagated in chickens to obtain a continuous source of oocysts. The collected unsporulated oocysts (10 5 oocysts/5 ml) were dispensed into 5 cm Petri dish. Three replicates were used for each treatment. The treated oocysts were incubated for 48 h at 25-29 °C and 80% relative humidity. The results showed that herbal extracts, the commercial recommended dose of Dettol, TH4, Phenol, Virkon ® S, and Diclazuril 20% have no effect on the sporulation. While Sodium hypochlorite showed a significant degree of sporulation inhibition reached to 49.67%. Moreover, 70% ethanol, and 10% formalin showed 100% sporulation inhibition. It was concluded that 70% ethanol and 10% formalin are the most effective methods to inhibit Eimeria species sporulation. Copyright © 2017 Elsevier B.V. All rights reserved.

Bufadienolides of Kalanchoe species: an overview of chemical structure, biological activity and prospects for pharmacological use.

Science.gov (United States)

Kolodziejczyk-Czepas, Joanna; Stochmal, Anna

2017-01-01

Toad venom is regarded as the main source of bufadienolides; however, synthesis of these substances takes also place in a variety of other animal and plant organisms, including ethnomedicinal plants of the Kalanchoe genus. Chemically, bufadienolides are a group of polyhydroxy C-24 steroids and their glycosides, containing a six-membered lactone (α-pyrone) ring at the C-17β position. From the pharmacological point of view, bufadienolides might be a promising group of steroid hormones with cardioactive properties and anticancer activity. Most of the literature concerns bufadienolides of animal origin; however, the medicinal use of these compounds remains limited by their narrow therapeutic index and the risk of development of cardiotoxic effects. On the other hand, plants such as Kalanchoe are also a source of bufadienolides. Kalanchoe pinnata (life plant, air plant, cathedral bells), Kalanchoe daigremontiana (mother of thousands) and other Kalanchoe species are valuable herbs in traditional medicine of Asia and Africa. The present review focuses on the available data on chemical structures of 31 compounds, biological properties and prospects for therapeutic use of bufadienolides from Kalanchoe species. Furthermore, it presents some new investigational trends in research on curative uses of these substances.

Characterization of chemical elements of fruits of Leucaena leucocephala in riverside areas of the Piracicaba River Basin, São Paulo, Brazil

International Nuclear Information System (INIS)

França, Elvis J.; Magalhães, Marcelo R.L. de; Ferreira, Fabiano S.; Fernandes, Elisabete A. de N.; Fonseca, Felipe Y.; Rodrigues, Vanessa S.; Cavalca, Isabel P.O.; Camilli, Leandro; Silva, Bruno F.

2017-01-01

The species Leucaena leucocephala is present in several environments. Its fruit is widely used in cattle feed. However, it is classified as an invasive species, causing problems in the restoration of impacted areas. The Piracicaba River Basin is heavily affected by urbanization and industrialization, which shows the proliferation of this species. Considering the importance of this tree species for Brazil, the present study quantifies chemical elements in fruits of this species by applying Instrumental Neutronic Activation Analysis, method k 0 . Samples were collected in riverside areas of the Piracicaba Municipality, São Paulo, Brazil, at different periods (dry and rainy season). After collection, the samples were shattered and transferred to polyethylene capsules and irradiated with neutrons. Certified reference materials were used to evaluate the quality of the analytical procedure, all material was irradiated under a thermal neutron flux of 10 13 cm-2s-1 for 8 hours. Ni-Cr alloy was used for the monitoring of thermal neutron flux. High Resolution Range Spectrometry with HPG detectors was employed for the measurement of the induced radioactivity, allowing the quantification of the chemical elements. Compared with available results of chemical analysis of pods, the chemical elements Ca, K, Ba, Cr and Se presented high concentrations. We also quantified chemical elements of environmental relevance such as As, Hg, Br, Ce, Cs, Eu, Hf, La, Rb, Sb, Sc, Sm, Ta, Tb, Th and Yb, indicating the need for element dynamics studies in the environments occupied by this invasive species

Comparative toxicity of chemicals to earthworms

Energy Technology Data Exchange (ETDEWEB)

Callahan, C.A.; Shirazi, M.A. (Environmental Protection Agency, Corvallis, OR (United States)); Neuhauser, E.F. (Niagara Mohawk Power Corp., Syracuse, NY (United States))

1994-02-01

The concentration-response (mortality) relationships of four species of earthworms, Eisenia fetida (Savigny), Allolobophora tuberculata (Eisen), Eudrilus eugeniae (Kinberg), and Perionyx excavatus (Perrier) are summarized for 62 chemicals and two test protocols. A Weibull function is used to summarize these data for each chemical in terms of sensitivity and toxicity, in addition to the LC50. The estimation of the Weibull parameters a and k summarize the entire concentration-response relationship. This technique should be applicable to a variety of testing protocols with different species whenever the goal is summarizing the shape of the concentration-response curves to fully evaluate chemical impact on organisms. In some cases for these data four orders of magnitude separate LC50s of the soil test and the contact test for the same chemical and species. All four species appear to be similar in range of toxicity and tolerance to these chemicals, suggesting that Eisenia fetida and may be representative of these four species and these chemicals.

Manipulations of the reproductive system of fishes by means of exogenous chemicals

Science.gov (United States)

Patino, R.

1997-01-01

Environmental control of reproductive activity of captive fish is feasible (or potentially feasible) but, with few exceptions, is currently impractical for most species. Therefore, chemical methods of manipulating reproductive activity continue to be widely used in fish production operations worldwide. However, the control of fish reproduction in captivity cannot be exercised without regard to adequate environmental conditions, which can differ markedly for different species. This review provides a synopsis of relevant aspects of fish reproductive physiology and addresses current and promising future chemical methods of sex control, gonadal recrudescence, and spawning. Most research on the control of reproduction in fishes has focused on female physiology because ovarian development and maturation are easily disturbed by environmental stressors. Control of sex ratios by steroid treatment has become a well-established technique for several fish species, but the technique continues to be problematic in some cases. Final gonadal growth and spawning usually can be achieved by implant treatment with gonadotropin-releasing hormone analogs (GnRHa), which in some species have to be applied in combination with dopamine antagonists to enhance responsiveness to GnRHa. However, efforts to accelerate gonadal recrudescence and maturational competence by chemical means have yielded mixed results, reflecting a relative lack of understanding of the basic physiological and biochemic mechanisms controlling these processes. The potential benefits of using reproductive pheromone, to manipulate gonadal development and spawning has been demonstrated in a few species, but further research is needed to determine whether this technique is applicable to fish culture. Because a reliable supply of young fish is critical for the expansion and diversification of fish culture operations, the use of chemicals in combination with adequate environmental conditions to contain gametogenesis and

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

Energy Technology Data Exchange (ETDEWEB)

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

1994-03-01

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

Is radiation an appropriate model for chemical mutagenesis and carcinogenesis

International Nuclear Information System (INIS)

Bond, V.P.

1982-01-01

This chapter attempts to show why the quadratic, or ''linear quadratic,'' relationship holds for organ dose-single cell radiation effects, and to explore the extension of this relationship to chemical exposures in general. Demonstrates that although the ''αD + βD 2 relationship'' may be unexpected for normal pharmacologicalmedical dose-response relationships, a linear, no-threshold curve of this kind is expected for all stochastic-type (accidental or risk) situations with health consequences (e.g. all common accidents) including exposure to ''low-level radiation'' (LLR). Discusses the stochastic or risk approach, relevant radiobiology, and the stochastic for chemicals. Assumes that even though actual mutational rates cannot be expected to apply to the relevance of Tradescantia or any other single cell system as a predictor for mutagenesis and carcinogenesis in animals and man, the cardinal principles of genetics largely transcend species and the particular environment in which the cell is located. Concludes that with regard to LLR, the curve shapes and other relationships developed for Tradescantia would be expected to apply in principle to animal and human mutagenesis and carcinogenesis

Chemical differences between voided and bladder urine in the aye-aye (Daubentonia madagascariensis): implications for olfactory communication studies.

Science.gov (United States)

Delbarco-Trillo, Javier; Harelimana, Innocent H; Goodwin, Thomas E; Drea, Christine M

2013-07-01

Urine serves a communicative function in many mammalian species. In some species, the signaling function of urine can be enhanced by the addition of chemical compounds from glands along the distal portion of the urogenital tract. Although urine marking is the main mode of chemical communication in many primate species, there has been no study of the contribution of urogenital secretions to the chemical complexity of primate urine. Here, we compared the chemical composition of bladder urine versus voided urine in the aye-aye, Daubentonia madagascariensis, a strepsirrhine primate that relies on urine in intraspecific communication. Both types of urine, collected from each of 11 aye-ayes representing both sexes of varying adult ages, underwent headspace analysis via gas chromatography and mass spectrometry. Although the average number of compounds was similar in bladder and voided urine, 17% of the compounds detected occurred exclusively in voided urine (but only in a subset of individuals). An overall measure of chemical complexity (using a nonmetric multidimensional scaling analysis) showed that both types of urine were chemically different at the individual level. There was no apparent sex or age differences in the chemical components found in aye-aye urine. Nonetheless, the individual dissimilarities between bladder urine and voided urine indicate chemical contributions from structures along the urogenital tract and offer further support for the relevance of urinary communication in the aye-aye. © 2012 Wiley Periodicals, Inc.

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

Science.gov (United States)

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

2014-05-01

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

Talaromyces atroroseus, a new species efficiently producing industrially relevant red pigments

DEFF Research Database (Denmark)

Frisvad, Jens Christian; Yilmaz, Neriman; Thrane, Ulf

2013-01-01

., described in this study, produces the azaphilone biosynthetic families mitorubrins and Monascus pigments without any production of mycotoxins. Within the red pigment producing clade, T. atroroseus resolved in a distinct clade separate from all the other species in multigene phylogenies (ITS, β......Some species of Talaromyces secrete large amounts of red pigments. Literature has linked this character to species such as Talaromyces purpurogenus, T. albobiverticillius, T. marneffei, and T. minioluteus often under earlier Penicillium names. Isolates identified as T. purpurogenus have been...... reported to be interesting industrially and they can produce extracellular enzymes and red pigments, but they can also produce mycotoxins such as rubratoxin A and B and luteoskyrin. Production of mycotoxins limits the use of isolates of a particular species in biotechnology. Talaromyces atroroseus sp. nov...

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

Science.gov (United States)

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

2017-04-01

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

Talaromyces atroroseus, a new species efficiently producing industrially relevant red pigments.

Directory of Open Access Journals (Sweden)

Jens C Frisvad

Full Text Available Some species of Talaromyces secrete large amounts of red pigments. Literature has linked this character to species such as Talaromyces purpurogenus, T. albobiverticillius, T. marneffei, and T. minioluteus often under earlier Penicillium names. Isolates identified as T. purpurogenus have been reported to be interesting industrially and they can produce extracellular enzymes and red pigments, but they can also produce mycotoxins such as rubratoxin A and B and luteoskyrin. Production of mycotoxins limits the use of isolates of a particular species in biotechnology. Talaromyces atroroseus sp. nov., described in this study, produces the azaphilone biosynthetic families mitorubrins and Monascus pigments without any production of mycotoxins. Within the red pigment producing clade, T. atroroseus resolved in a distinct clade separate from all the other species in multigene phylogenies (ITS, β-tubulin and RPB1, which confirm its unique nature. Talaromyces atroroseus resembles T. purpurogenus and T. albobiverticillius in producing red diffusible pigments, but differs from the latter two species by the production of glauconic acid, purpuride and ZG-1494α and by the dull to dark green, thick walled ellipsoidal conidia produced. The type strain of Talaromyces atroroseus is CBS 133442.

Chemical evolutionary games.

Science.gov (United States)

Aristotelous, Andreas C; Durrett, Richard

2014-05-01

Inspired by the use of hybrid cellular automata in modeling cancer, we introduce a generalization of evolutionary games in which cells produce and absorb chemicals, and the chemical concentrations dictate the death rates of cells and their fitnesses. Our long term aim is to understand how the details of the interactions in a system with n species and m chemicals translate into the qualitative behavior of the system. Here, we study two simple 2×2 games with two chemicals and revisit the two and three species versions of the one chemical colicin system studied earlier by Durrett and Levin (1997). We find that in the 2×2 examples, the behavior of our new spatial model can be predicted from that of the mean field differential equation using ideas of Durrett and Levin (1994). However, in the three species colicin model, the system with diffusion does not have the coexistence which occurs in the lattices model in which sites interact with only their nearest neighbors. Copyright © 2014 Elsevier Inc. All rights reserved.

Assessment of pollution along the Northern Iberian shelf by the combined use of chemical and biochemical markers in two representative fish species

International Nuclear Information System (INIS)

Fernandes, Denise; Andreu-Sanchez, Oscar; Bebianno, Maria Joao; Porte, Cinta

2008-01-01

Muscle concentrations of organochlorinated compounds as well as biliary levels of polycyclic aromatic hydrocarbons (PAHs) and alkylphenols (APEs) were determined in two different fish species, the four-spotted megrim (Lepidorhombus boscii) and the pouting (Trisopterus luscus) collected along the Northern Iberian coast. Additionally, a set of biochemical markers namely, 7-ethoxyresorufin O-deethylase (EROD), UDP-glucuronosyltransferase (UGT) and catalase (CAT) were measured in liver subcellular fractions. Chemical analysis indicated geographical differences in pollutant loads that were further reinforced by biomarker responses. Thus, EROD activity showed a good correlation with the amount of PCBs bioaccumulated in muscle tissue of both fish species. Elevated UGT activity was observed in those individuals highly exposed to APEs and 1-naphthol. The study reinforces the need to select representative sentinel species from different habitats for biomonitoring purposes and provides further support for the use of biomarkers in assessing the health of coastal areas. - Pollution biomonitoring along the Northern Iberian Shelf by the combined use of chemical and biochemical tools in two representative fish species

Assessment of pollution along the Northern Iberian shelf by the combined use of chemical and biochemical markers in two representative fish species

Energy Technology Data Exchange (ETDEWEB)

Fernandes, Denise [CIMA, University of Algarve, FCMA, Campus de Gambelas, 8005-139 Faro (Portugal); Department of Environmental Chemistry, IIQAB-CSIC, Jordi Girona 18, 08034 Barcelona (Spain); Andreu-Sanchez, Oscar [Polytechnic University Valencia, E.T.S.I. Agronomy, Biotechnology Department, 46022, Valencia (Spain); Bebianno, Maria Joao [CIMA, University of Algarve, FCMA, Campus de Gambelas, 8005-139 Faro (Portugal); Porte, Cinta [Department of Environmental Chemistry, IIQAB-CSIC, Jordi Girona 18, 08034 Barcelona (Spain)], E-mail: cpvqam@cid.csic.es

2008-09-15

Muscle concentrations of organochlorinated compounds as well as biliary levels of polycyclic aromatic hydrocarbons (PAHs) and alkylphenols (APEs) were determined in two different fish species, the four-spotted megrim (Lepidorhombus boscii) and the pouting (Trisopterus luscus) collected along the Northern Iberian coast. Additionally, a set of biochemical markers namely, 7-ethoxyresorufin O-deethylase (EROD), UDP-glucuronosyltransferase (UGT) and catalase (CAT) were measured in liver subcellular fractions. Chemical analysis indicated geographical differences in pollutant loads that were further reinforced by biomarker responses. Thus, EROD activity showed a good correlation with the amount of PCBs bioaccumulated in muscle tissue of both fish species. Elevated UGT activity was observed in those individuals highly exposed to APEs and 1-naphthol. The study reinforces the need to select representative sentinel species from different habitats for biomonitoring purposes and provides further support for the use of biomarkers in assessing the health of coastal areas. - Pollution biomonitoring along the Northern Iberian Shelf by the combined use of chemical and biochemical tools in two representative fish species.

The physico-chemical 131I species in the exhaust air of a boiling water reactor (BWR 4)

International Nuclear Information System (INIS)

Deuber, H.

1982-12-01

In a German boiling water reactor, the physico-chemical 131 I species were determined in the plant exhaust and in the individual exhausts during 12 months. These measurements aimed in particular at determining the percentage and the source of the radiologically decisive elemental 131 I released to the environment. The retention of the 131 I species by iodine filters was also investigated. On an average, 45% of the 131 I discharged with the plant exhaust consisted of elemental iodine. This was largely released with the exhaust from the reactor building and from the turbine building. The other 55% consisted almost entirely of organic I. (orig./HP) [de

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

DEFF Research Database (Denmark)

Ellegaard, Ole; Wallin, Johan Albert

2013-01-01

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

Contribution to the study of recoil species produced by potassium ferrocyanide neutron irradiation

International Nuclear Information System (INIS)

Meriadec Vernier de Byans, B.

1969-04-01

The chemical species produced by potassium ferrocyanide neutron irradiation were separated and identified. The study of their behaviour upon thermal annealing has allowed to establish a scheme of reaction as well as a kinetic treatment of the data. Activation energies are determined in different conditions and the effects of radiation dose, oxygen and water of crystallisation upon the activation energies were studied. Preliminary E.S.R. data and its relevance to the decomposition process is also discussed. (authors) [fr

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

DEFF Research Database (Denmark)

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

2016-01-01

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

Chemical bonding and the equilibrium composition of Grignard reagents in ethereal solutions.

Science.gov (United States)

Henriques, André M; Barbosa, André G H

2011-11-10

A thorough analysis of the electronic structure and thermodynamic aspects of Grignard reagents and its associated equilibrium composition in ethereal solutions is performed. Considering methylmagnesium halides containing fluorine, chlorine, and bromine, we studied the neutral, charged, and radical species associated with their chemical equilibrium in solution. The ethereal solvents considered, tetrahydrofuran (THF) and ethyl ether (Et(2)O), were modeled using the polarizable continuum model (PCM) and also by explicit coordination to the Mg atoms in a cluster. The chemical bonding of the species that constitute the Grignard reagent is analyzed in detail with generalized valence bond (GVB) wave functions. Equilibrium constants were calculated with the DFT/M06 functional and GVB wave functions, yielding similar results. According to our calculations and existing kinetic and electrochemical evidence, the species R(•), R(-), (•)MgX, and RMgX(2)(-) must be present in low concentration in the equilibrium. We conclude that depending on the halogen, a different route must be followed to produce the relevant equilibrium species in each case. Chloride and bromide must preferably follow a "radical-based" pathway, and fluoride must follow a "carbanionic-based" pathway. These different mechanisms are contrasted against the available experimental results and are proven to be consistent with the existing thermodynamic data on the Grignard reagent equilibria.

New applications in EPA’s ECOTOX Knowledge System: Assimilating relative potencies of metals across chemical and biological species from literature-based toxicity effects data.

Science.gov (United States)

Toxicity of metals in field settings can vary widely among ionic chemical species and across biological receptors. Thus, a challenge often found in developing TRVs for the risk assessment of metals is identifying the most appropriate metal and biological species combinations for...

Volatile constituents from Baccharis spp. L. (Asteraceae): Chemical support for the conservation of threatened species in Uruguay.

Science.gov (United States)

Minteguiaga, Manuel; Andrés González, H; Cassel, Eduardo; Umpierrez, Noelia; Fariña, Laura; Dellacassa, Eduardo

2018-03-14

Chemical bioprospecting is an important tool for generating knowledge regarding local human-threatened floras and for conservation management. For Baccharis L. (Asteraceae), several volatile components have been reported for Brazil, Argentina, Bolivia, and Chile as a result of bioprospection, but not for Uruguayan flora, which is composed of more than 50 native species. In this work, through collection of aerial parts of different species and volatile simultaneous-distillation extraction and gas chromatography-mass spectrometry analyses, 12 native species of Baccharis were studied (B. articulata, B. cultrata, B. genistifolia, B. gibertii, B. gnaphalioides, B. ochracea, B. phyteumoides, B. punctulata, B. crispa, B. dracunculifolia, B. linearifolia subsp. linearifolia, and B. spicata). A detailed analysis of the male and female volatile composition was conducted for the last four species. The profiles of B. cultrata, B. genistifolia, B. gibertii, and B. gnaphalioides are reported for the first time. Because half of the species analysed in this work are in Uruguay and are threatened or potentially threatened by human economic activities, the importance of their conservation as natural, sustainable resources is highlighted. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Chemical composition of essential oils from four Vietnamese species of piper (piperaceae).

Science.gov (United States)

Hieu, Le D; Thang, Tran D; Hoi, Tran M; Ogunwande, Isiaka A

2014-01-01

The chemical composition of essential oils from four Piper species, Piper retrofractum Vahl., P. boehmeriaefolium (Miq.) C. DC., P. sarmentosum Roxb., and P. maclurei Merr., were analysed by gas chromatography-flame ionization detector (GC-FID) and gas chromatography-mass spectrometry (GC-MS). Nineteen to sixty-four compounds representing 92.0%-98.4% of the total contents were identified in the oil samples. The major constituents identified in P. retrofractum leaf oil were benzyl benzoate (14.4%), myrcene (14.4%), bicycloelemene (9.9%), bicyclogermacrene (7.0%) and β-caryophyllene (5.3%). On the other hand, the main constituents of P. boehmeriaefolium were α-copaene (28.3%), α-pinene (7.4%) and 1, 8-cineole (5.7%). P. sarmentosum showed a very different chemical profile characterized mainly by aromatic compounds and devoid of monoterpene hydrocarbons. The major constituents were benzyl benzoate (49.1%), benzyl alcohol (17.9%), 2-hydroxy-benzoic acid phenylmethyl ester (10.0%) and 2-butenyl-benzene (7.9%). The leaf of P. maclurei was characterized by higher amount of (E)-cinnamic acid (37.4%) and (E)-nerolidol (19.4%). Moreover, (Z)-9-octadecanoic acid methyl ester (28.0%), (E)-cinnamyl acetate (17.2%), phytol (12.2%) and (E)-cinnamaldehyde (8.8%) were the major compounds identified in the stem oil.

Time-Domain Simulations of Transient Species in Experimentally Relevant Environments

Energy Technology Data Exchange (ETDEWEB)

Ueltschi, Tyler W.; Fischer, Sean A.; Apra, Edoardo; Tarnovsky, Alexander N.; Govind, Niranjan; El-Khoury, Patrick Z.; Hess, Wayne P.

2016-02-04

Simulating the spectroscopic properties of short-lived thermal and photochemical reaction intermediates and products is a challenging task, as these species often feature atypical molecular and electronic structures. The complex environments in which such species typically reside in practice add further complexity to the problem. Herein, we tackle this problem in silico using ab initio molecular dynamics (AIMD) simulations, employing iso-CHBr3, namely H(Br)C-Br-Br, as a prototypical system. This species was chosen because it features both a non-conventional C-Br-Br bonding pattern, as well as a strong dependence of its spectral features on the local environment in which it resides, as illustrated in recent experimental reports. The spectroscopic properties of iso-CHBr3 were measured by several groups that captured this transient intermediate in the photochemistry of CHBr3 in the gas phase, in rare gas matrices at 5K, and in solution under ambient laboratory conditions. We simulate the UV-Vis and IR spectra of iso-CHBr3 in all three media, including a Ne cluster (64 atoms) and a methylcyclohexane cage (14 solvent molecules) representative of the matrix isolated and solvated species. We exclusively perform fully quantum mechanical static and dynamic simulations. By comparing our condensed phase simulations to their experimental analogues, we stress the importance of (i) conformational sampling, even at cryogenic temperatures, and (ii) using a fully quantum mechanical description of both solute and bath to properly account for the experimental observables.

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

Science.gov (United States)

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

2018-02-01

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

Enhancing the effectiveness of biological control programs of invasive species through a more comprehensive pest management approach.

Science.gov (United States)

DiTomaso, Joseph M; Van Steenwyk, Robert A; Nowierski, Robert M; Vollmer, Jennifer L; Lane, Eric; Chilton, Earl; Burch, Patrick L; Cowan, Phil E; Zimmerman, Kenneth; Dionigi, Christopher P

2017-01-01

Invasive species are one of the greatest economic and ecological threats to agriculture and natural areas in the US and the world. Among the available management tools, biological control provides one of the most economical and long-term effective strategies for managing widespread and damaging invasive species populations of nearly all taxa. However, integrating biological control programs in a more complete integrated pest management approach that utilizes increased information and communication, post-release monitoring, adaptive management practices, long-term stewardship strategies, and new and innovative ecological and genetic technologies can greatly improve the effectiveness of biological control. In addition, expanding partnerships among relevant national, regional, and local agencies, as well as academic scientists and land managers, offers far greater opportunities for long-term success in the suppression of established invasive species. In this paper we direct our recommendations to federal agencies that oversee, fund, conduct research, and develop classical biological control programs for invasive species. By incorporating these recommendations into adaptive management strategies, private and public land managers will have far greater opportunities for long-term success in suppression of established invasive species. © 2016 Society of Chemical Industry. © 2016 Society of Chemical Industry.

Chemical sensor with oscillating cantilevered probe

Science.gov (United States)

Adams, Jesse D

2013-02-05

The invention provides a method of detecting a chemical species with an oscillating cantilevered probe. A cantilevered beam is driven into oscillation with a drive mechanism coupled to the cantilevered beam. A free end of the oscillating cantilevered beam is tapped against a mechanical stop coupled to a base end of the cantilevered beam. An amplitude of the oscillating cantilevered beam is measured with a sense mechanism coupled to the cantilevered beam. A treated portion of the cantilevered beam is exposed to the chemical species, wherein the cantilevered beam bends when exposed to the chemical species. A second amplitude of the oscillating cantilevered beam is measured, and the chemical species is determined based on the measured amplitudes.

Life histories of microalgal species causing harmful blooms: Haploids, diploids and the relevance of benthic stages.

Science.gov (United States)

Figueroa, Rosa Isabel; Estrada, Marta; Garcés, Esther

2018-03-01

In coastal and offshore waters, Harmful Algal Blooms (HABs) currently threaten the well-being of coastal countries. These events, which can be localized or involve wide-ranging areas, pose risks to human health, marine ecosystems, and economic resources, such as tourism, fisheries, and aquaculture. Dynamics of HABs vary from one site to another, depending on the hydrographic and ecological conditions. The challenge in investigating HABs is that they are caused by organisms from multiple algal classes, each with its own unique features, including different life histories. The complete algal life cycle has been determined in life cycles of bloom-forming species is essential in developing preventative measures. The knowledge obtained thus far has confirmed the complexity of the algal life cycle, which is composed of discrete life stages whose morphology, ecological niche (plankton/benthos), function, and lifespan vary. The factors that trigger transitions between the different stages in nature are mostly unknown, but it is clear that an understanding of this process provides the key to effectively forecasting bloom recurrence, maintenance, and decline. Planktonic stages constitute an ephemeral phase of the life cycle of most species whereas resistant, benthic stages enable a species to withstand adverse conditions for prolonged periods, thus providing dormant reservoirs for eventual blooms and facilitating organismal dispersal. Here we review current knowledge of the life cycle strategies of major groups of HAB producers in marine and brackish waters. Rather than providing a comprehensive discussion, the objective was to highlight several of the research milestones that have changed our understanding of the plasticity and frequency of the different life cycle stages as well as the transitions between them. We also discuss the relevance of benthic and planktonic forms and their implications for HAB dynamics. Copyright © 2018. Published by Elsevier B.V.

ConSpeciFix: Classifying prokaryotic species based on gene flow.

Science.gov (United States)

Bobay, Louis-Marie; Ellis, Brian Shin-Hua; Ochman, Howard

2018-05-16

Classification of prokaryotic species is usually based on sequence similarity thresholds, which are easy to apply but lack a biologically-relevant foundation. Here, we present ConSpeciFix, a program that classifies prokaryotes into species using criteria set forth by the Biological Species Concept, thereby unifying species definition in all domains of life. ConSpeciFix's webserver is freely available at www.conspecifix.com. The local version of the program can be freely downloaded from https://github.com/Bobay-Ochman/ConSpeciFix. ConSpeciFix is written in Python 2.7 and requires the following dependencies: Usearch, MCL, MAFFT and RAxML. ljbobay@uncg.edu.

Spatial distribution and temporal variation of chemical species in the bulk atmospheric aerosols collected at the Okinawa archipelago, Japan

Science.gov (United States)

Handa, D.; Somada, Y.; Ijyu, M.; Azechi, S.; Nakaema, F.; Arakaki, T.; Tanahara, A.

2009-12-01

The economic development and population growth in recent Asia have been increasing air pollution. A computer simulation study showed that air pollutants emitted from Asian continent could spread quickly within northern hemisphere. We initiated a study to elucidate the special distribution and chemical characterization of atmospheric aerosols around Okinawa archipelago, Japan. Okinawa Island is situated approximately 1500 km south of Tokyo, Japan, 2000 km southeast of Beijing, China, and 1000 km south of South Korea. Its location in Asia is well suited for studying long-range transport of air pollutants in East Asia because maritime air mass prevails during summer, while continental air mass dominates during fall, winter, and spring. The maritime air mass data can be seen as background and can be compared with continental air masses which have been affected by anthropogenic activities. We simultaneously collected bulk aerosol samples by using the same types of high volume air samplers at Cape Hedo Atmosphere and Aerosol Monitoring Station (CHAAMS, Okinawa Island), Kume Island (ca. 160 km south-west of CHAAMS) and Minami-daitou Island (ca. 320 km south-east of CHAAMS). We determined the concentrations of water-soluble anions, cations and dissolved organic carbon (DOC) using ion chromatography, atomic absorption spectrometry, and total organic carbon analyzer, respectively. We report and discuss spatial distribution and temporal variation of chemical species concentrations in bulk atmospheric aerosols collected during July, 2008 to July, 2009. We determine “background” concentration of chemical components in Okinawa archipelago. We then compare each chemical component among CHAAMS, Kume Island and Minami-daito Island to elucidate the influence of the long-range transport of chemical species from Asian continent.

Future Needs and Recommendations in the Development of Species Sensitivity Distributions: Estimating Toxicity Thresholds for Aquatic Ecological Communities and Assessing Impacts of Chemical Exposures

Science.gov (United States)

A species sensitivity distribution (SSD) is a probability model of the variation of species sensitivities to a stressor, in particular chemical exposure. The SSD approach has been used as a decision support tool in environmental protection and management since the 1980s, and the ...

Comparing bee species responses to chemical mixtures: Common response patterns?

Directory of Open Access Journals (Sweden)

Alex Robinson

Full Text Available Pollinators in agricultural landscapes can be exposed to mixtures of pesticides and environmental pollutants. Existing mixture toxicity modelling approaches, such as the models of concentration addition and independent action and the mechanistic DEBtox framework have been previously shown as valuable tools for understanding and ultimately predicting joint toxicity. Here we apply these mixture models to investigate the potential to interpret the effects of semi-chronic binary mixture exposure for three bee species: Apis mellifera, Bombus terrestris and Osmia bicornis within potentiation and mixture toxicity experiments. In the potentiation studies, the effect of the insecticide dimethoate with added propiconazole fungicide and neonicotinoid insecticide clothianidin with added tau-fluvalinate pyrethroid acaricide showed no difference in toxicity compared to the single chemical alone. Clothianidin toxicity showed a small scale, but temporally conserved increase in exposure conducted in the presence of propiconazole, particularly for B. terrestris and O. bicornis, the latter showing a near three-fold increase in clothianidin toxicity in the presence of propiconazole. In the mixture toxicity studies, the dominant response patterns were of additivity, however, binary mixtures of clothianidin and dimethoate in A. mellifera, B. terrestris and male O. bicornis there was evidence of a predominant antagonistic interaction. Given the ubiquitous nature of exposures to multiple chemicals, there is an urgent need to consider mixture effects in pollinator risk assessments. Our analyses suggest that current models, particularly those that utilise time-series data, such as DEBtox, can be used to identify additivity as the dominant response pattern and also those examples of interactions, even when small-scale, that may need to be taken into account during risk assessment.

Consideration on thermodynamic data for predicting solubility and chemical species of elements in groundwater. Part 2: Np, Pu

International Nuclear Information System (INIS)

Yamaguchi, Tetsuji

2000-11-01

The solubility determines the release of a radionuclide from waste form and is used as a source term in radionuclide migration analysis in performance assessment of radioactive waste repository. Complexations of the radionuclide by ligands in groundwater affect the interaction between radionuclides and geologic media, thus affect their migration behavior. It is essential to estimate the solubility and to predict the chemical species for the radionuclide based on thermodynamic data. The thermodynamic data of aqueous species and compounds were reviewed and compiled for Np and Pu. Thermodynamic data were reviewed with emphasis on the hydrolysis and carbonate complexation that can dominate the speciation in groundwater. Thermodynamic data for other species were selected based on existing databases. Thermodynamic data for other important elements are under investigation, thus shown in an appendix for temporary use. (author)

Synthesis and Surface-Specific Analysis of Molecular Constituents Relevant to Biogenic Secondary Organic Aerosol Material

Science.gov (United States)

Be, A. G.; Upshur, M. A.; Chase, H. M.; Geiger, F.; Thomson, R. J.

2017-12-01

Secondary organic aerosol (SOA) particles formed from the oxidation of biogenic volatile organic compounds (BVOCs) remain a principal, yet elusive, class of airborne particulate matter that impacts the Earth's radiation budget. Given the characteristic molecular complexity comprising biogenic SOA particles, chemical information selective to the gas-aerosol interface may be valuable in the investigation of such systems, as surface considerations likely dictate the phenomena driving particle evolution mechanisms and climate effects. In particular, cloud activation processes may be parameterized using the surface tension depression that coincides with partitioning of surface-active organic species to the gas-droplet interface. However, the extent to which surface chemical processes, such as cloud droplet condensation, are influenced by the chemical structure and reactivity of individual surface-active molecules in SOA particles is largely unknown. We seek to study terpene-derived organic species relevant to the surfaces of biogenic SOA particles via synthesis of putative oxidation products followed by analysis using surface-selective physicochemical measurements. Using dynamic surface tension measurements, considerable differences are observed in the surface tension depression of aqueous pendant droplets that contain synthetically prepared ozonolysis products derived from abundant terpene precursors. Furthermore, sum frequency generation spectroscopy is utilized for comparison of the surface vibrational spectral responses of synthesized reference compounds with those observed for laboratory aerosol toward probing the surface composition of SOA material. Such ongoing findings highlight the underlying importance of molecular structure and reactivity when considering the surface chemistry of biogenic terpene-derived atmospheric aerosols.

Use of chemical elements of 1A family by tropical tree species; Uso de elementos quimicos da familia 1A por especies arboreas tropicais

Energy Technology Data Exchange (ETDEWEB)

Carmo, Andrius M.J.; Paiva, Jose Daniel S. de; Magalhaes, Marcelo R.L. de; Franca, Elvis J. de; Hazin, Clovis A., E-mail: ejfranca@cnen.gov.br [Centro Regional de Ciencias Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil); Bacchi, Marcio A.; Fernandes, Elisabete A.N., E-mail: mabacchi@cena.usp.br [Centro de Energia Nuclear na Agricultura (CENA/USP), Piracicaba, SP (Brazil).

2013-07-01

This study aims to evaluate the distribution of K, Rb and Cs in leaves of trees of the Atlantic Forest through studies of correlation between the chemical elements. For this, we used the Instrumental Neutron Activation Analysis for the quantification of the chemical elements. The concentration ranges found were 6700-24000 mg / kg for K, 16 to 72mg / kg for Rb and 0.08 to 0,92mg / kg for Cs. As Rb has chemical similarity to K, is easily absorbed by plants, leading to a high value (0.9) of the Pearson correlation. For the correlation between K and Cs, no significant values were detected except for some species of the Myrtaceae family. However, average correlations (0.6 species of different families. The absence of a specific pattern using of K, Rb and Cs by plants showed great complexity in the distribution of chemical elements in the ecosystem.

Extension of a hybrid particle-continuum method for a mixture of chemical species

Science.gov (United States)

Verhoff, Ashley M.; Boyd, Iain D.

2012-11-01

Due to the physical accuracy and numerical efficiency achieved by analyzing transitional, hypersonic flow fields with hybrid particle-continuum methods, this paper describes a Modular Particle-Continuum (MPC) method and its extension to include multiple chemical species. Considerations that are specific to a hybrid approach for simulating gas mixtures are addressed, including a discussion of the Chapman-Enskog velocity distribution function (VDF) for near-equilibrium flows, and consistent viscosity models for the individual CFD and DSMC modules of the MPC method. Representative results for a hypersonic blunt-body flow are then presented, where the flow field properties, surface properties, and computational performance are compared for simulations employing full CFD, full DSMC, and the MPC method.

Unravelling chemical priming machinery in plants: the role of reactive oxygen-nitrogen-sulfur species in abiotic stress tolerance enhancement.

Science.gov (United States)

Antoniou, Chrystalla; Savvides, Andreas; Christou, Anastasis; Fotopoulos, Vasileios

2016-10-01

Abiotic stresses severely limit crop yield and their detrimental effects are aggravated by climate change. Chemical priming is an emerging field in crop stress management. The exogenous application of specific chemical agents before stress events results in tolerance enhancement and reduction of stress impacts on plant physiology and growth. However, the molecular mechanisms underlying the remarkable effects of chemical priming on plant physiology remain to be elucidated. Reactive oxygen, nitrogen and sulfur species (RONSS) are molecules playing a vital role in the stress acclimation of plants. When applied as priming agents, RONSS improve stress tolerance. This review summarizes the recent knowledge on the role of RONSS in cell signalling and gene regulation contributing to abiotic stress tolerance enhancement. Copyright © 2016 Elsevier Ltd. All rights reserved.

Application of chemical structure and bonding of actinide oxide materials for forensic science

International Nuclear Information System (INIS)

Wilkerson, Marianne Perry

2010-01-01

We are interested in applying our understanding of actinide chemical structure and bonding to broaden the suite of analytical tools available for nuclear forensic analyses. Uranium- and plutonium-oxide systems form under a variety of conditions, and these chemical species exhibit some of the most complex behavior of metal oxide systems known. No less intriguing is the ability of AnO 2 (An: U, Pu) to form non-stoichiometric species described as AnO 2+x . Environmental studies have shown the value of utilizing the chemical signatures of these actinide oxide materials to understand transport following release into the environment. Chemical speciation of actinide-oxide samples may also provide clues as to the age, source, or process history of the material. The scientific challenge is to identify, measure and understand those aspects of speciation of actinide analytes that carry information about material origin and history most relevant to forensics. Here, we will describe our efforts in material synthesis and analytical methods development that we will use to provide the fundamental science to characterize actinide oxide molecular structures for forensic science. Structural properties and initial results to measure structural variability of uranium oxide samples using synchrotron-based X-ray Absorption Fine Structure will be discussed.

Application of chemical structure and bonding of actinide oxide materials for forensic science

Energy Technology Data Exchange (ETDEWEB)

Wilkerson, Marianne Perry [Los Alamos National Laboratory

2010-01-01

We are interested in applying our understanding of actinide chemical structure and bonding to broaden the suite of analytical tools available for nuclear forensic analyses. Uranium- and plutonium-oxide systems form under a variety of conditions, and these chemical species exhibit some of the most complex behavior of metal oxide systems known. No less intriguing is the ability of AnO{sub 2} (An: U, Pu) to form non-stoichiometric species described as AnO{sub 2+x}. Environmental studies have shown the value of utilizing the chemical signatures of these actinide oxide materials to understand transport following release into the environment. Chemical speciation of actinide-oxide samples may also provide clues as to the age, source, or process history of the material. The scientific challenge is to identify, measure and understand those aspects of speciation of actinide analytes that carry information about material origin and history most relevant to forensics. Here, we will describe our efforts in material synthesis and analytical methods development that we will use to provide the fundamental science to characterize actinide oxide molecular structures for forensic science. Structural properties and initial results to measure structural variability of uranium oxide samples using synchrotron-based X-ray Absorption Fine Structure will be discussed.

Reduction and Uncertainty Analysis of Chemical Mechanisms Based on Local and Global Sensitivities

Science.gov (United States)

Esposito, Gaetano

Numerical simulations of critical reacting flow phenomena in hypersonic propulsion devices require accurate representation of finite-rate chemical kinetics. The chemical kinetic models available for hydrocarbon fuel combustion are rather large, involving hundreds of species and thousands of reactions. As a consequence, they cannot be used in multi-dimensional computational fluid dynamic calculations in the foreseeable future due to the prohibitive computational cost. In addition to the computational difficulties, it is also known that some fundamental chemical kinetic parameters of detailed models have significant level of uncertainty due to limited experimental data available and to poor understanding of interactions among kinetic parameters. In the present investigation, local and global sensitivity analysis techniques are employed to develop a systematic approach of reducing and analyzing detailed chemical kinetic models. Unlike previous studies in which skeletal model reduction was based on the separate analysis of simple cases, in this work a novel strategy based on Principal Component Analysis of local sensitivity values is presented. This new approach is capable of simultaneously taking into account all the relevant canonical combustion configurations over different composition, temperature and pressure conditions. Moreover, the procedure developed in this work represents the first documented inclusion of non-premixed extinction phenomena, which is of great relevance in hypersonic combustors, in an automated reduction algorithm. The application of the skeletal reduction to a detailed kinetic model consisting of 111 species in 784 reactions is demonstrated. The resulting reduced skeletal model of 37--38 species showed that the global ignition/propagation/extinction phenomena of ethylene-air mixtures can be predicted within an accuracy of 2% of the full detailed model. The problems of both understanding non-linear interactions between kinetic parameters and

Penicillium arizonense, a new, genome sequenced fungal species, reveals a high chemical diversity in secreted metabolites

DEFF Research Database (Denmark)

Grijseels, Sietske; Nielsen, Jens Christian; Randelovic, Milica

2016-01-01

A new soil-borne species belonging to the Penicillium section Canescentia is described, Penicillium arizonense sp. nov. (type strain CBS 141311T = IBT 12289T). The genome was sequenced and assembled into 33.7 Mb containing 12,502 predicted genes. A phylogenetic assessment based on marker genes...... confirmed the grouping of P. arizonense within section Canescentia. Compared to related species, P. arizonense proved to encode a high number of proteins involved in carbohydrate metabolism, in particular hemicellulases. Mining the genome for genes involved in secondary metabolite biosynthesis resulted...... of biosynthetic gene clusters in P. arizonense responsible for the synthesis of all detected compounds except curvulinic acid. The capacity to produce biomass degrading enzymes and the identification of a high chemical diversity in secreted bioactive secondary metabolites, offers a broad range of potential...

Vaporization of chemical species and the production of aerosols during a core debris/concrete interaction

International Nuclear Information System (INIS)

Butland, A.T.D.; Mignanelli, M.A.; Potter, P.E.; Smith, P.N.

1987-01-01

The equilibrium chemical composition within gas bubbles sparging through isothermal molten corium-concrete mixtures has been evaluated theoretically. A series of sensitivity calculations gives some insight into a number of factors which are of importance in determining the radionuclide and non-radioactive releases during core-concrete interaction. The degree of mixing or layering of the pool has turned out to be of paramount importance in determining the magnitudes of the releases. The presence of unoxidized zirconium in the melt tends to enhance the release of a number of species and the type of concrete used for the base mat can have a significant effect. The predictions can be sensitive to the thermodynamic data used in the calculations. The vaporization of various species into the gas bubbles can require large amounts of heat; the loss of this heat from the melt can have an effect on the extent of the vaporization

Komponen Kimia Minyak Atsiridaun Tiga Jenis Piperaceae*[chemical Compounds of Essential Oil on Three Piperaceae Species

OpenAIRE

Jamal, Yuliasri

2002-01-01

Chemical analysis of leaves essential oil on three Piper species, P. malamiri, P. baccatum and P. majusculum was conducted using gas chromatography and mass spectrometry (GCMS) method.Chromatogram result showed 52, 56 and 47 peaks on leaves essential oil of P.malamiri, P.baccatum and P.majusculum respectively. Based on the peaks,it is known that isocaryofilene is the major, common and as the highest component found in the three essential oils, beside several other major components.

Conceptual DFT: the chemical relevance of higher response functions.

Science.gov (United States)

Geerlings, P; De Proft, F

2008-06-07

In recent years conceptual density functional theory offered a perspective for the interpretation/prediction of experimental/theoretical reactivity data on the basis of a series of response functions to perturbations in the number of electrons and/or external potential. This approach has enabled the sharp definition and computation, from first principles, of a series of well-known but sometimes vaguely defined chemical concepts such as electronegativity and hardness. In this contribution, a short overview of the shortcomings of the simplest, first order response functions is illustrated leading to a description of chemical bonding in a covalent interaction in terms of interacting atoms or groups, governed by electrostatics with the tendency to polarize bonds on the basis of electronegativity differences. The second order approach, well known until now, introduces the hardness/softness and Fukui function concepts related to polarizability and frontier MO theory, respectively. The introduction of polarizability/softness is also considered in a historical perspective in which polarizability was, with some exceptions, mainly put forward in non covalent interactions. A particular series of response functions, arising when the changes in the external potential are solely provoked by changes in nuclear configurations (the "R-analogues") are also systematically considered. The main part of the contribution is devoted to third order response functions which, at first sight, may be expected not to yield chemically significant information, as turns out to be for the hyperhardness. A counterexample is the dual descriptor and its R analogue, the initial hardness response, which turns out to yield a firm basis to regain the Woodward-Hoffmann rules for pericyclic reactions based on a density-only basis, i.e. without involving the phase, sign, symmetry of the wavefunction. Even the second order nonlinear response functions are shown possibly to bear interesting information, e

Plasma-activation of tap water using DBD for agronomy applications: Identification and quantification of long lifetime chemical species and production/consumption mechanisms.

Science.gov (United States)

Judée, F; Simon, S; Bailly, C; Dufour, T

2018-04-15

Cold atmospheric plasmas are weakly ionized gases that can be generated in ambient air. They produce energetic species (e.g. electrons, metastables) as well as reactive oxygen species, reactive nitrogen species, UV radiations and local electric field. Their interaction with a liquid such as tap water can hence change its chemical composition. The resulting "plasma-activated liquid" can meet many applications, including medicine and agriculture. Consequently, a complete experimental set of analytical techniques dedicated to the characterization of long lifetime chemical species has been implemented to characterize tap water treated using cold atmospheric plasma process and intended to agronomy applications. For that purpose, colorimetry and acid titrations are performed, considering acid-base equilibria, pH and temperature variations induced during plasma activation. 16 species are quantified and monitored: hydroxide and hydronium ions, ammonia and ammonium ions, orthophosphates, carbonate ions, nitrite and nitrate ions and hydrogen peroxide. The related consumption/production mechanisms are discussed. In parallel, a chemical model of electrical conductivity based on Kohlrausch's law has been developed to simulate the electrical conductivity of the plasma-activated tap water (PATW). Comparing its predictions with experimental measurements leads to a narrow fitting, hence supporting the self-sufficiency of the experimental set, I.e. the fact that all long lifetime radicals of interest present in PATW are characterized. Finally, to evaluate the potential of cold atmospheric plasmas for agriculture applications, tap water has been daily plasma-treated to irrigate lentils seeds. Then, seedlings lengths have been measured and compared with untreated tap water, showing an increase as high as 34.0% and 128.4% after 3 days and 6 days of activation respectively. The interaction mechanisms between plasma and tap water are discussed as well as their positive synergy on

Influence of soil physical and chemical variables on species composition and richness of plants in the arid region of Tabuk, Saudi Arabia

Directory of Open Access Journals (Sweden)

Al-Mutairi Khalid Awadh

2017-06-01

Full Text Available The present study aims to investigate the effect of soil physical and chemical variables on the species richness and the floristic composition in four sites (Alwaz, Alqan, Sharma and Zetah of Tabuk region in the Northwestern part of Arabian Peninsula. Only organic matter (OM, pH and calcium (Ca showed significant differences (P < 0.05 amongst the four studied sites. Only magnesium and sodium were selected in the forward regression model and showed to be strong drivers of species richness of plants in Tabuk region (Adj-R2 = 0.438, F2,13 = 6.85, P = 0.009. The multivariate analysis of canonical correspondence analysis (CCA was applied to reveal the effect of the physical and chemical variables on the species composition of the plants. The CCA classifies the plant species into three groups based on their preference to the environmental variables. The first group of plant species (Group 1 is characterised by positive preference to the chloride (Cl and negative relationship with OM and pH. The second group (Group 2 is positively correlated with most of the soil variables such as OM, calcium (Ca, potassium (K, bicarbonate (HCO3, electrical conductivity (EC, sulphate (SO4 and sodium (Na. The third group (Group 3 has positive relationship with carbonate (CO3 and negative relationship with EC and magnesium (Mg. The chloride, sodium, sulphate, EC and carbonate are the main environmental factors influencing the plant species composition in Tabuk region. The cluster analysis based on the Euclidian measure shows that Alqan and Zetah have closer species composition compared to Sharma.

Impact of different soil cultivation on weed species in winter rape (oilseed

Directory of Open Access Journals (Sweden)

Jan Winkler

2005-01-01

Full Text Available A community of weeds and crops is affected by a number of factors, including, among other things, also tillage. In the years 2000–2002, the composition of weed species in rape stands was evaluated on the fields with the total area of 551 hectares (1 hectar equals to some 2.47 acres. The evaluation was carried out with the application of methodology developed by Kühn (1982. On the fields located in the cadastral area of Olomouc – Holice, which had been cultivated in a traditional manner, 115 relevés were recorded. On the fields in the cadastral area of Bohuňovice, which had been cultivated with the application of reduced tillage, 97 relevés were recorded and evaluated. All of the above fields were subjected to the application of chemical agents reducing the occurrence of weeds. The data thus received were processed by means of multidimensional analysis of ecological data with the application of a RDA method (Redundancy Analysis. In the course of three years, 75 weed species were found on the fields under conventional tillage, on the average, 8.2 species per a relevé, while 66 weed species were found during the same period of time on the fields cultivated by means of reduced tillage, on the average, 8.6 species per a relevé. The application of RDA analysis enabled us to sort out the selected species of weeds (i.e. those the frequency of occurrence of which exceeded 15 % into three groups. The conditions provided by the conventional tillage appeared to be more satisfactory for the weed species included in the first group (Arctium tomentosum, Elytrigia repens, Helianthus tuberosus, Chenopodium album, Lolium perenne and Papaver rhoeas. The species included in the second group, i.e. Alsinula media, Apera spica-venti, Atriplex patula, Bromus sterilis, Capsella bursa-pastoris, Equisetum arvense, Fallopia convolvulus, Myosotis arvensis and Thlaspi arvense., responded to reduced tillage by the increase in cover or by increased frequency of

Analysis of Environmental Physical-Chemical Factors and Macroalga Species In The Coastal Water of Nusalaut, Central Maluku - Indonesia

Directory of Open Access Journals (Sweden)

Karel Melsasail

2018-03-01

Full Text Available The physical-chemical factors of environment are very influential on the presence and the growth of macrolaga in waters. Well-maintained water habitat is a good environment for the growth of macroalgae. A research has been conducted on the physicochemical environmental factors and the macroalgae species in the coastal waters of Nusalaut Island using transect method, and it was a survey research on four different observation stations. The results of the research showed that station I (Amet Village has the best physicochemical factors for the presence and the growth of macroalgae, compared to station II (Nalahia Village, station III (Sila Village and station IV (Leinitu Village. The most widely found macro algae are from the Rhodophyta class, with a total of 17 species of macroalgae, of which 15 species are found in station I.

Penicillium arizonense, a new, genome sequenced fungal species, reveals a high chemical diversity in secreted metabolites

Science.gov (United States)

Grijseels, Sietske; Nielsen, Jens Christian; Randelovic, Milica; Nielsen, Jens; Nielsen, Kristian Fog; Workman, Mhairi; Frisvad, Jens Christian

2016-01-01

A new soil-borne species belonging to the Penicillium section Canescentia is described, Penicillium arizonense sp. nov. (type strain CBS 141311T = IBT 12289T). The genome was sequenced and assembled into 33.7 Mb containing 12,502 predicted genes. A phylogenetic assessment based on marker genes confirmed the grouping of P. arizonense within section Canescentia. Compared to related species, P. arizonense proved to encode a high number of proteins involved in carbohydrate metabolism, in particular hemicellulases. Mining the genome for genes involved in secondary metabolite biosynthesis resulted in the identification of 62 putative biosynthetic gene clusters. Extracts of P. arizonense were analysed for secondary metabolites and austalides, pyripyropenes, tryptoquivalines, fumagillin, pseurotin A, curvulinic acid and xanthoepocin were detected. A comparative analysis against known pathways enabled the proposal of biosynthetic gene clusters in P. arizonense responsible for the synthesis of all detected compounds except curvulinic acid. The capacity to produce biomass degrading enzymes and the identification of a high chemical diversity in secreted bioactive secondary metabolites, offers a broad range of potential industrial applications for the new species P. arizonense. The description and availability of the genome sequence of P. arizonense, further provides the basis for biotechnological exploitation of this species. PMID:27739446

Multi-species Ionic Diffusion in Concrete with Account to Interaction Between Ions in the Pore Solution and the Cement Hydrates

DEFF Research Database (Denmark)

Johannesson, Björn

2007-01-01

results concerning the multi-species action during chloride penetration. In the model the chemical interaction between ions in solids and in pore solution is assumed governed by simple ion exchange processes only. The drawback using this approach is that the chemical part is lacking important physical...... relevance in terms of standard solubility thermodynamics. On the other hand the presented model is capable of accurately simulate the well documented peak behavior of the chloride profiles and the measured high content of calcium ions in pore solution under conditions when also chlorides is present...

On the stabilizing role of species diffusion in chemical enhanced oil recovery

Science.gov (United States)

Daripa, Prabir; Gin, Craig

2015-11-01

In this talk, the speaker will discuss a problem on the stability analysis related to the effect of species diffusion on stabilization of fingering in a Hele-Shaw model of chemical enhanced oil recovery. The formulation of the problem is motivated by a specific design principle of the immiscible interfaces in the hope that this will lead to significant stabilization of interfacial instabilities, there by improving oil recovery in the context of porous media flow. Testing the merits of this hypothesis poses some challenges which will be discussed along with some numerical results based on current formulation of this problem. Several open problems in this context will be discussed. This work is currently under progress. Supported by the grant NPRP 08-777-1-141 from the Qatar National Research Fund (a member of The Qatar Foundation).

Studies on the origin and transformation of selenium and its chemical species along the process of petroleum refining

Science.gov (United States)

Stivanin de Almeida, Cibele M.; Ribeiro, Anderson S.; Saint'Pierre, Tatiana D.; Miekeley, Norbert

2009-06-01

Inductively coupled plasma optical emission spectrometry and mass spectrometry (ICPMS), the latter hyphenated to flow injection hydride generation, electrothermal vaporization or ion chromatography, have been applied to the chemical characterization of crude oil, aqueous process stream samples and wastewaters from a petroleum refinery, in order to get information on the behavior of selenium and its chemical species along effluent generation and treatment. Multielemental characterization of these effluents by ICPMS revealed a complex composition of most of them, with high salinity and potential spectral and non-spectral interferents present. For this reason, a critical re-assessment of the analytical techniques for the determination of total selenium and its species was performed. Methane was employed as gas in dynamic reaction cell ICPMS and cell parameters were optimized for a simulated brine matrix and for diluted aqueous solutions to match the expected process and treated wastewaters samples. The signal-to-background ratios for 78Se and 80Se were used as criteria in optimization, the first isotope resulting in better detection limits for the simulated brine matrix ( 78Se: 0.07 μg L - 1 , 80Se: 0.31 μg L - 1 ). A large variability in the concentration of selenium (from crude oil samples in the refinery here investigated, which may explain the pronounced concentrations changes of this element measured in aqueous process stream and wastewater samples. Highest concentrations of total selenium were analyzed in samples from the hydrotreater (up to about 1800 μg L - 1 ). The predominance of selenocyanate (SeCN -) was observed in most of the wastewaters so far investigated, but also other species were detected with retention times different from Se(IV), Se(VI) and SeCN -. Colloidal selenium (Se 0) was the only Se-species observed in samples from the atmospheric distillation unit, but was also identified in other samples, most probably formed by the decomposition of

Chemical and morphological characteristics of key tree species of the Carpathian Mountains

International Nuclear Information System (INIS)

Mankovska, Blanka; Godzik, Barbara; Badea, Ovidiu; Shparyk, Yuri; Moravcik, Pavel

2004-01-01

Concentrations of Al, B, Ca, Cu, Fe, K, Mg, Mn, N, Na, P, S and Zn in the foliage of white fir (Abies alba), Norway spruce (Picea abies) and common beech (Fagus sylvatica) from 25 sites of the Carpathian Mts. forests (Czech Republic, Poland, Romania, Slovakia and Ukraine) are discussed in a context of their limit values. S/N ratio was different from optimum in 90% of localities when compared with the European limit values. Likewise we found increase of Fe and Cu concentrations compared with their background levels in 100% of locations. Mn concentrations were increased in 76% of localities. Mn mobilization values indicate the disturbance of physiological balance leading to the change of the ratio with Fe. SEM-investigation of foliage waxes from 25 sites in the Carpathian Mts. showed, that there is a statistically significant difference in mean wax quality. Epistomatal waxes were damaged as indicated by increased development of net and amorphous waxes. The most damaged stomata in spruce needles were from Yablunitsa, Synevir and Brenna; in fir needles from Stoliky, and in beech leaves from Mala Fatra, Morske Oko and Beregomet. Spruce needles in the Carpathian Mts. had more damaged stomata than fir needles and beech leaves. Spruce seems to be the most sensitive tree species to environmental stresses including air pollution in forests of the Carpathian Mountains. Foliage surfaces of three forest tree species contained Al, Si, Ca, Fe, Mg, K, Cl, Mn, Na, Ni and Ti in all studied localities. Presence of nutrition elements (Ca, Fe, Mg, K and Mn) on foliage surface hinders opening and closing stomata and it is not physiologically usable for tree species. - Chemical composition of foliage and structure of epicuticular waxes indicated phytotoxic effects of air pollution in many forest sites of the Carpathian Mountains

Enolonium Species-Umpoled Enolates

DEFF Research Database (Denmark)

Arava, Shlomy; Kumar, Jayprakash N.; Maksymenko, Shimon

2017-01-01

Enolonium species/iodo(III) enolates of carbonyl compounds have been suggested to be intermediates in a wide variety of hypervalent iodine induced chemical transformations of ketones, including α-C-O, α-C-N, α-C-C, and alpha-carbon- halide bond formation, but they have never been characterized. We...... report that these elusive umpoled enolates may be made as discrete species that are stable for several minutes at-78 degrees C, and report the first spectroscopic identification of such species. It is shown that enolonium species are direct intermediates in C-O, C-N, C-Cl, and C-C bond forming reactions....... Our results open up chemical space for designing a variety of new transformations. We showcase the ability of enolonium species to react with prenyl, crotyl, cinnamyl, and allyl silanes with absolute regioselectivity in up to 92% yield....

Acid-base chemistry of white wine: analytical characterisation and chemical modelling.

Science.gov (United States)

Prenesti, Enrico; Berto, Silvia; Toso, Simona; Daniele, Pier Giuseppe

2012-01-01

A chemical model of the acid-base properties is optimized for each white wine under study, together with the calculation of their ionic strength, taking into account the contributions of all significant ionic species (strong electrolytes and weak one sensitive to the chemical equilibria). Coupling the HPLC-IEC and HPLC-RP methods, we are able to quantify up to 12 carboxylic acids, the most relevant substances responsible of the acid-base equilibria of wine. The analytical concentration of carboxylic acids and of other acid-base active substances was used as input, with the total acidity, for the chemical modelling step of the study based on the contemporary treatment of overlapped protonation equilibria. New protonation constants were refined (L-lactic and succinic acids) with respect to our previous investigation on red wines. Attention was paid for mixed solvent (ethanol-water mixture), ionic strength, and temperature to ensure a thermodynamic level to the study. Validation of the chemical model optimized is achieved by way of conductometric measurements and using a synthetic "wine" especially adapted for testing.

Acid-Base Chemistry of White Wine: Analytical Characterisation and Chemical Modelling

Directory of Open Access Journals (Sweden)

Enrico Prenesti

2012-01-01

Full Text Available A chemical model of the acid-base properties is optimized for each white wine under study, together with the calculation of their ionic strength, taking into account the contributions of all significant ionic species (strong electrolytes and weak one sensitive to the chemical equilibria. Coupling the HPLC-IEC and HPLC-RP methods, we are able to quantify up to 12 carboxylic acids, the most relevant substances responsible of the acid-base equilibria of wine. The analytical concentration of carboxylic acids and of other acid-base active substances was used as input, with the total acidity, for the chemical modelling step of the study based on the contemporary treatment of overlapped protonation equilibria. New protonation constants were refined (L-lactic and succinic acids with respect to our previous investigation on red wines. Attention was paid for mixed solvent (ethanol-water mixture, ionic strength, and temperature to ensure a thermodynamic level to the study. Validation of the chemical model optimized is achieved by way of conductometric measurements and using a synthetic “wine” especially adapted for testing.

Acid-Base Chemistry of White Wine: Analytical Characterisation and Chemical Modelling

Science.gov (United States)

Prenesti, Enrico; Berto, Silvia; Toso, Simona; Daniele, Pier Giuseppe

2012-01-01

A chemical model of the acid-base properties is optimized for each white wine under study, together with the calculation of their ionic strength, taking into account the contributions of all significant ionic species (strong electrolytes and weak one sensitive to the chemical equilibria). Coupling the HPLC-IEC and HPLC-RP methods, we are able to quantify up to 12 carboxylic acids, the most relevant substances responsible of the acid-base equilibria of wine. The analytical concentration of carboxylic acids and of other acid-base active substances was used as input, with the total acidity, for the chemical modelling step of the study based on the contemporary treatment of overlapped protonation equilibria. New protonation constants were refined (L-lactic and succinic acids) with respect to our previous investigation on red wines. Attention was paid for mixed solvent (ethanol-water mixture), ionic strength, and temperature to ensure a thermodynamic level to the study. Validation of the chemical model optimized is achieved by way of conductometric measurements and using a synthetic “wine” especially adapted for testing. PMID:22566762

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

Science.gov (United States)

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

2014-02-14

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

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

International Nuclear Information System (INIS)

1995-01-01

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

CHEMICAL RISKS TO THREATENED AND ENDANGERED FISH SPECIES AT CONCENTRATIONS BELOW WATER QUALITY CRITERIA: IS IT FEASIBLE TO ENSURE PROTECTION OF INDIVIDUALS

Science.gov (United States)

The USGS Laboratory in Columbia, Missouri has evaluated the acute sensitivities of 17 threatened and endangered fish species (including three salmonids), to five different chemicals (carbaryl, copper, 4-nonylphenol, pentachlorophenol, and permethrin). The results of these studie...

Assessing single and joint effects of chemicals on the survival and reproduction of Folsomia candida (Collembola) in soil

International Nuclear Information System (INIS)

Amorim, M.J.B.; Pereira, C.; Menezes-Oliveira, V.B.; Campos, B.; Soares, A.M.V.M.; Loureiro, S.

2012-01-01

Chemicals are often found in the environment as complex mixtures. There has been a large effort in the last decade to assess the combined effect of chemicals, using the conceptual models of Concentration Addition and Independent Action, but also including synergistic, antagonistic, dose-level and dose–ratio dependent deviations from these models. In the present study, single and mixture toxicity of atrazine, dimethoate, lindane, zinc and cadmium were studied in Folsomia candida, assessing survival and reproduction. Different response patterns were observed for the different endpoints and synergistic patterns were observed when pesticides were present. Compared with the previously tested Enchytraeus albidus and Porcellionides pruinosus, the mixture toxicity pattern for F. candida was species specific. The present study highlights the importance of studying toxicity of chemicals mixtures due to the observed potentiation of effects and confirms that for an adequate ecologically relevant risk assessment different organisms and endpoints should be included. - Highlights: ► Folsomia candida (Collembola) were exposed to binary mixtures of atrazine, dimethoate, lindane, zinc and cadmium. ► Synergistic response patterns were often observed when pesticides were present in the mixtures. ► Response patterns upon mixture exposure differed within endpoints (survival vs. reproduction) in some cases. ► As to single chemical toxicity, response patterns for mixture exposures seem to be also species specific. - Exposure to chemical mixtures in Folsomia candida showed potentiation of effects. Mixture toxicity patterns differ among species and endpoint measured.

The relevance of morphology for habitat use and locomotion in two species of wall lizards

Science.gov (United States)

Gomes, Verónica; Carretero, Miguel A.; Kaliontzopoulou, Antigoni

2016-01-01

Understanding if morphological differences between organisms that occupy different environments are associated to differences in functional performance can suggest a functional link between environmental and morphological variation. In this study we examined three components of the ecomorphological paradigm - morphology, locomotor performance and habitat use - using two syntopic wall lizards endemic to the Iberian Peninsula as a case study to establish whether morphological variation is associated with habitat use and determine the potential relevance of locomotor performance for such an association. Differences in habitat use between both lizards matched patterns of morphological variation. Indeed, individuals of Podarcis guadarramae lusitanicus, which are more flattened, used more rocky environments, whereas Podarcis bocagei, which have higher heads, used more vegetation than rocks. These patterns translated into a significant association between morphology and habitat use. Nevertheless, the two species were only differentiated in some of the functional traits quantified, and locomotor performance did not exhibit an association with morphological traits. Our results suggest that the link between morphology and habitat use is mediated by refuge use, rather than locomotor performance, in this system, and advise caution when extrapolating morphology-performance-environment associations across organisms.

Behavioral Relevance of Species-Specific Vasotocin Anatomy in Gregarious Finches

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Aubrey M Kelly

2013-12-01

Full Text Available Despite substantial species differences in the vasotocin/vasopressin (VT/VP circuitry of the medial bed nucleus of the stria terminalis (BSTm and lateral septum (LS; a primary projection target of BSTm VT/VP cells, functional consequences of this variation are poorly known. Previous experiments in the highly gregarious zebra finch (Estrildidae: Taeniopygia guttata demonstrate that BSTm VT neurons promote gregariousness in a male-specific manner and reduce anxiety in both sexes. However, in contrast to the zebra finch, the less gregarious Angolan blue waxbill (Estrildidae: Uraeginthus angolensis exhibits fewer VT-immunoreactive cells in the BSTm as well as differences in receptor distribution across the LS subnuclei, suggesting that knockdown of VT production in the BSTm would produce behavioral effects in Angolan blue waxbills that are distinct from zebra finches. Thus, we here quantified social contact, gregariousness (i.e. preference for the larger of two groups, and anxiety-like behavior following bilateral antisense knockdown of VT production in the BSTm of male and female Angolan blue waxbills. We find that BSTm VT neurons promote social contact, but not gregariousness (as in male zebra finches, and that antisense effects on social contact are significantly stronger in male waxbills than in females. Knockdown of BSTm VT production has no effect on anxiety-like behavior. These data provide novel evidence that species differences in the VT/VP circuitry arising in the BSTm are accompanied by species-specific effects on affiliation behaviors.

Lipophilic phytochemicals from banana fruits of several Musa species.

Science.gov (United States)

Vilela, Carla; Santos, Sónia A O; Villaverde, Juan J; Oliveira, Lúcia; Nunes, Alberto; Cordeiro, Nereida; Freire, Carmen S R; Silvestre, Armando J D

2014-11-01

The chemical composition of the lipophilic extract of ripe pulp of banana fruit from several banana cultivars belonging to the Musa acuminata and Musa balbisiana species (namely 'Chinese Cavendish', 'Giant Cavendish', 'Dwarf Red', 'Grand Nain', 'Eilon', 'Gruesa', 'Silver', 'Ricasa', 'Williams' and 'Zelig') was studied by gas chromatography-mass spectrometry for the first time. The banana cultivars showed similar amounts of lipophilic extractives (ca. 0.4% of dry material weight) as well as qualitative chemical compositions. The major groups of compounds identified in these fractions were fatty acids and sterols making up 68.6-84.3% and 11.1-28.0%, respectively, of the total amount of lipophilic components. Smaller amounts of long chain aliphatic alcohols and α-tocopherol were also identified. These results are a relevant contribution for the valorisation of these banana cultivars as sources of valuable phytochemicals (ω-3 and ω-6 fatty acids, and sterols) with well-established beneficial nutritional and health effects. Copyright © 2014 Elsevier Ltd. All rights reserved.

Model analysis of the chemical conversion of exhaust species in the expanding plumes of subsonic aircraft

Energy Technology Data Exchange (ETDEWEB)

Moellhoff, M.; Hendricks, J.; Lippert, E.; Petry, H. [Koeln Univ. (Germany). Inst. fuer Geophysik und Meteorologie; Sausen, R. [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Oberpfaffenhofen (Germany). Inst. fuer Physik der Atmosphaere

1997-12-31

A box model and two different one-dimensional models are used to investigate the chemical conversion of exhaust species in the dispersing plume of a subsonic aircraft flying at cruise altitude. The effect of varying daytime of release as well as the impact of changing dispersion time is studied with special respect to the aircraft induced O{sub 3} production. Effective emission amounts for consideration in mesoscale and global models are calculated. Simulations with modified photolysis rates are performed to show the sensitivity of the photochemistry to the occurrence of cirrus clouds. (author) 8 refs.

Model analysis of the chemical conversion of exhaust species in the expanding plumes of subsonic aircraft

Energy Technology Data Exchange (ETDEWEB)

Moellhoff, M; Hendricks, J; Lippert, E; Petry, H [Koeln Univ. (Germany). Inst. fuer Geophysik und Meteorologie; Sausen, R [Deutsche Forschungsanstalt fuer Luft- und Raumfahrt e.V. (DLR), Oberpfaffenhofen (Germany). Inst. fuer Physik der Atmosphaere

1998-12-31

A box model and two different one-dimensional models are used to investigate the chemical conversion of exhaust species in the dispersing plume of a subsonic aircraft flying at cruise altitude. The effect of varying daytime of release as well as the impact of changing dispersion time is studied with special respect to the aircraft induced O{sub 3} production. Effective emission amounts for consideration in mesoscale and global models are calculated. Simulations with modified photolysis rates are performed to show the sensitivity of the photochemistry to the occurrence of cirrus clouds. (author) 8 refs.

The Rules of Aggression: How Genetic, Chemical and Spatial Factors Affect Intercolony Fights in a Dominant Species, the Mediterranean Acrobat Ant Crematogaster scutellaris.

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Filippo Frizzi

Full Text Available Nest-mate recognition plays a key role in the biology of ants. Although individuals coming from a foreign nest are, in most cases, promptly rejected, the degree of aggressiveness towards non nest-mates may be highly variable among species and relies on genetic, chemical and environmental factors. We analyzed intraspecific relationships among neighboring colonies of the dominant Mediterranean acrobat ant Crematogaster scutellaris integrating genetic, chemical and behavioral analyses. Colony structure, parental relationships between nests, cuticular hydrocarbons profiles (CHCs and aggressive behavior against non nest-mates were studied in 34 nests located in olive tree trunks. Bayesian clustering analysis of allelic variation at nine species-specific microsatellite DNA markers pooled nests into 14 distinct clusters, each representing a single colony, confirming a polydomous arrangement of nests in this species. A marked genetic separation among colonies was also detected, probably due to long distance dispersion of queens and males during nuptial flights. CHCs profiles varied significantly among colonies and between nests of the same colony. No relationship between CHCs profiles and genetic distances was detected. The level of aggressiveness between colonies was inversely related to chemical and spatial distance, suggesting a 'nasty neighbor' effect. Our findings also suggest that CHCs profiles in C. scutellaris may be linked to external environmental factors rather than genetic relationships.

Student performance study: the outcomes of metabolic, molecular and physical-chemical characterization of intestinal tract microbiome on a four mammalian species model

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Nataša CIBER

2015-11-01

Full Text Available Many environmental factors influence the structure of microbial communities, their activity and properties of the environment of the digestive tract. Contrary to constant disturbances, the system provides the basis for energy conversion and thus the long-term stable coexistence of different hosts and their specific intestinal microbiota over geological timescales. Since the methodological approaches proved to be the largest source of systematic errors in comparisons of microbial communities among different organisms of the same species or between different species, we tested a number of methods on samples from different species of mammals in order to verify the feasibility of this approach for future routine analysis of microbiomes:(i analyses of physical-chemical parameters;(iithe metabolic properties of attached, planktonic fractions in comparison to the total;(iiistructure of microbial communities of bacteria and archaea; (ivdata analysis. We used a model of intestinal samples from four species of mammals, encompassing the differences between the various types of intestinal tracts: ruminants and rodents (such as pre- and post- peptic fermentors, omnivores and carnivores. The second purpose of the study was to(iassess the extent of spread of data due to the cooperation of the various operators on the data obtained, and(ii to evaluate the skills of the students to carry out industry-oriented investigations and measurements in 1st year of MSc study Microbiology; and(iii to promote awareness of the importance of routine laboratory work day and the corresponding duties. The results suggest(ithat the operators independently organized and shared tasks;(iisuccessfully completed all methods;(iiiobtain relevant information;(ivcritically evaluated and interpreted within the extent of their knowledge;(v that relative standard deviation(RSD typically could be compared to those of the automated analytical procedures(<10 % and therefore represented the

Expanding the species and chemical diversity of Penicillium section Cinnamopurpurea

DEFF Research Database (Denmark)

Peterson, Stephen W.; Jurjević, Željko; Frisvad, Jens Christian

2015-01-01

isolates and sequenced. Two species in section Cinnamopurpurea are self-compatible sexual species, but the asexual species had polymorphic loci suggestive of sexual reproduction and variation in conidium size suggestive of ploidy level differences typical of heterothallism. Accordingly we use genealogical...... concordance analysis, a technique valid only in heterothallic organisms, for putatively asexual species. Seven new species were revealed in the analysis and are described here. Extrolite analysis showed that two of the new species, P. colei and P. monsserratidens produce the mycotoxin citreoviridin that has...

CHEMICAL COMPOSITION AND in vitro GAS PRODUCTION OF SOME LEGUME BROWSE SPECIES IN SUBTROPICAL AREAS OF MEXICO

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Carlos A Garcia Montes de Oca

2011-03-01

Full Text Available The objective of the present study was to determine the chemical composition and in vitro gas production of different legume and wild arboreal pods. Seven seeds of legume browse species, Mexican calabash (Crescentia alata, esculent leadtree (Leucaena esculenta, guamuchil (Phitecellobium dulce, bastard cedar (Guazuma ulmifolia, needle bush (Acacia farnesiana, mimosa (Mimosa sp. and elephant ear tree (Enterolobium cyclocarpum. Were evaluated for their chemical composition (g/kg DM and in vitro gas production pattern. Crude Protein was higher for L. esculenta (220 and lower for G. ulmifolia (70. Neutral and acid detergent fiber were higher for G. ulmifolia (687 and 554 and lower for A. farnesiana (267 and 176. Lignin was higher for Mimosa sp. (219 and lower for P. dulce (81. Total gas production (ml gas/g DM of P. dulce (187 and E. cyclocarpum (164 were higher (P

Preparation of Ti species coating hydrotalcite by chemical vapor deposition for photodegradation of azo dye.

Science.gov (United States)

Xiao, Gaofei; Zeng, HongYan; Xu, Sheng; Chen, ChaoRong; Zhao, Quan; Liu, XiaoJun

2017-10-01

TiO 2 in anatase crystal phase is a very effective catalyst in the photocatalytic oxidation of organic compounds in water. To improve its photocatalytic activity, the Ti-coating MgAl hydrotalcite (Ti-MgAl-LDH) was prepared by chemical vapor deposition (CVD) method. Response surface method (RSM) was employed to evaluate the effect of Ti species coating parameters on the photocatalytic activity, which was found to be affected by the furnace temperature, N 2 flow rate and influx time of precursor gas. Application of RSM successfully increased the photocatalytic efficiency of the Ti-MgAl-LDH in methylene blue photodegradation under UV irradiation, leading to improved economy of the process. According to the results from X-ray diffraction, scanning electron microscopy, Brunner-Emmet-Teller and Barrett-Joyner-Hallender, thermogravimetric and differential thermal analysis, UV-vis diffuse reflectance spectra analyses, the Ti species (TiO 2 or/and Ti 4+ ) were successfully coated on the MgAl-LDH matrix. The Ti species on the surface of the Ti-MgAl-LDH lead to a higher photocatalytic performance than commercial TiO 2 -P25. The results suggested that CVD method provided a new approach for the industrial preparation of Ti-coating MgAl-LDH material with good photocatalytic performances. Copyright © 2017. Published by Elsevier B.V.

Chemically-functionalized microcantilevers for detection of chemical, biological and explosive material

Science.gov (United States)

Pinnaduwage, Lal A [Knoxville, TN; Thundat, Thomas G [Knoxville, TN; Brown, Gilbert M [Knoxville, TN; Hawk, John Eric [Olive Branch, MS; Boiadjiev, Vassil I [Knoxville, TN

2007-04-24

A chemically functionalized cantilever system has a cantilever coated on one side thereof with a reagent or biological species which binds to an analyte. The system is of particular value when the analyte is a toxic chemical biological warfare agent or an explosive.

Development of Multiplexed Marker Sets to Identify the Most Relevant Poplar Species for Breeding

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Hilke Schroeder

2017-12-01

Full Text Available Within the genus Populus, about 30 species are classified into six sections, of which some are cross-compatible. Besides naturally occurring hybrids, huge breeding programs have led to a high number of artificially produced hybrids, for which the determination of genetically involved species by morphological characteristics is often difficult. This necessitates the use of molecular markers for the identification of both maternal as well as paternal species, and in the case of complex hybrids, the genealogy. For this reason, we developed new chloroplast and nuclear markers for the differentiation of up to 19 poplar species, with one to 32 individuals per species regularly used in breeding programs based on already known barcoding, other chloroplast regions, and nuclear genes of interest. We developed methods to identify species by either species-specific nucleotide variations or, when no initial information for the species was given, by using a set of markers either in a procedure of exclusion or in a multiplexed marker set. The developed markers can all be used with low-cost equipment, and some can additionally be applied using a genetic analyzer. We combined these markers in multiplexes for a very fast and easy-to-use application for the identification of poplar species and their hybrids.

Evaluating the biodegradability and effects of dispersed oil using Arctic test species and conditions: phase 2 activities

Energy Technology Data Exchange (ETDEWEB)

MacFarlin, Kelly M.; Perkins, Robert A. [University of Alaska Fairbanks (United States)], email: raperkins@alaska.edu; Gardiner, William W.; Word, Jack D. [NewFields NorthWest (United States)

2011-07-01

In the event of a marine oil spill, managers have to make correct and rapid decisions, weighing a number of possibilities, which include natural attenuation, mechanical recovery, in situ burning, and/or chemical dispersion. To do this, the relative toxicity of physically and chemically dispersed fresh oil and the rates of biodegradation for fresh and weathered oil need to be understood in advance. A joint industry program was established in 2008 to research and discuss these areas. Phase 1 activities included determining the species relevant to the Beaufort and Chukchi Sea ecosystems, creating and setting up a toxicity and biodegradation laboratory with a cold room in Barrow, Alaska, developing collection and culture methods for test organisms, and developing toxicity and biodegradation test protocols. The second phase of this now completed research is discussed in this paper. It consisted of toxicity testing of the local environmentally significant species, the copepod (C. glacialis), Arctic cod (B. saida), and larval sculpin (Myoxocephalus sp.).

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

Science.gov (United States)

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

NATO Advanced Study Institute on Advances in Chemical Reaction Dynamics

CERN Document Server

Capellos, Christos

1986-01-01

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

Genetic and chemical diversity of high mucilaginous plants of Sida complex by ISSR markers and chemical fingerprinting.

Science.gov (United States)

Thul, Sanjog T; Srivastava, Ankit K; Singh, Subhash C; Shanker, Karuna

2011-09-01

A method was developed based on multiple approaches wherein DNA and chemical analysis was carried out toward differentiation of important species of Sida complex that is being used for commercial preparation. Isolated DNA samples were successfully performed through PCR amplification using ISSR markers and degree of genetic diversity among the different species of Sida is compared with that of chemical diversity. For genetic fingerprint investigation, selected 10 ISSR primers generating reproducible banding patterns were used. Among the total of 63 amplicons, 62 were recorded as polymorphic, genetic similarity index deduced from ISSR profiles ranged from 12 to 51%. Based on similarity index, S. acuta and S. rhombifolia found to be most similar (51%). High number of species-specific bands played pivotal role to delineate species at genetic level. Investigation based on HPTLC fingerprints analysis revealed 23 bands representing to characteristic chemicals and similarity index ranged from 73 to 91%. Prominent distinguishable bands were observed only in S. acuta, while S. cordifolia and S. rhombifolia shared most bands making them difficult to identify on chemical fingerprint basis. This report summarizes the genotypic and chemotypic diversity and the use of profiles for authentication of species of Sida complex.

The Atmospheric Tomography Mission (ATom): Comparing the Chemical Climatology of Reactive Species and Air Parcels from Measurements and Global Models

Science.gov (United States)

Prather, M. J.; Flynn, C.; Wennberg, P. O.; Kim, M. J.; Ryerson, T. B.; Hanisco, T. F.; Diskin, G. S.; Daube, B. C.; Commane, R.; McKain, K.; Apel, E. C.; Blake, N. J.; Blake, D. R.; Elkins, J. W.; Hall, S.; Steenrod, S.; Strahan, S. E.; Lamarque, J. F.; Fiore, A. M.; Horowitz, L. W.; Murray, L. T.; Mao, J.; Shindell, D. T.; Wofsy, S. C.

2017-12-01

The NASA Atmospheric Tomography Mission (ATom) is building a photochemical climatology of the remote troposphere based on objective sampling and profiling transects over the Pacific and Atlantic Oceans. These statistics provide direct tests of chemistry-climate models. The choice of species focuses on those controlling primary reactivity (a.k.a. oxidative state) of the troposphere, specifically chemical tendencies of O3 and CH4. These key species include, inter alia, O3, CH4, CO, C2H6, other alkanes, alkenes, aromatics, NOx, HNO3, HO2NO2, PAN, other organic nitrates, H2O, HCHO, H2O2, CH3OOH. Three of the four ATom deployments are now complete, and data from the first two (ATom-1 & -2) have been released as of this talk (see espoarchive.nasa.gov/archive/browse/atom). The statistical distributions of key species are presented as 1D and 2D probability densities (PDs) and we focus here on the tropical and mid-latitude regions of the Pacific during ATom-1 (Aug) and -2 (Feb). PDs are computed from ATom observations and 6 global chemistry models over the tropospheric depth (0-12 km) and longitudinal extent of the observations. All data are weighted to achieve equal mass-weighting by latitude regimes to account for spatial sampling biases. The models are used to calculate the reactivity in each ATom air parcel. Reweighting parcels with loss of CH4 or production of O3, for example, allows us to identify which air parcels are most influential, including assessment of the importance of fine pollution layers in the most remote troposphere. Another photochemical climatology developed from ATom, and used to test models, includes the effect of clouds on photolysis rates. The PDs and reactivity-weighted PDs reveal important seasonal differences and similarities between the two campaigns and also show which species may be most important in controlling reactivities. They clearly identify some very specific failings in the modeled climatologies and help us evaluate the chemical

Laboratory LiF characterization of different phytoplankton species originating harmful blooms

Energy Technology Data Exchange (ETDEWEB)

Barbini, R.; Colao, F.; Fantoni, R.; Palucci, A.; Ribezzo, S. [ENEA, Centro Ricerche Frascati, Rome (Italy). Dip. Innovazione; Micheli, C. [ENEA, Centro Ricerche Casaccia, Rome (Italy). Dipt. Innovazione

1997-11-01

A systematic laboratory characterization of different phytoplankton cultures has been performed in combination with LiF (Laser Induced Fluorescence) measurements aimed to investigate the possibility of their remote monitoring by means of lidar fluoro sensor systems. Cultures of microalgae characterized by different pigment contents have been analyzed in the visible region upon UV laser excitation. High resolution laboratory spectra have been measured in order to obtain the fingerprint of each species. Emission wavelength related to the main pigments contribution have been identified. Detection limits of the emitted red chlorophyll signal have been evaluated for the different species after dilution in the culture medium and in real sea water. Prior to the LiF excitation aimed to the remote characterization the algal cultures were morphologically analyzed by fluorescence and scanning electron microscopy. Furthermore the relevant cell number was counted for biomass estimation, and the chlorophylls content was determined by different chemical methods.

Establishment and intra-/inter-laboratory validation of a standard protocol of reactive oxygen species assay for chemical photosafety evaluation.

Science.gov (United States)

Onoue, Satomi; Hosoi, Kazuhiro; Wakuri, Shinobu; Iwase, Yumiko; Yamamoto, Toshinobu; Matsuoka, Naoko; Nakamura, Kazuichi; Toda, Tsuguto; Takagi, Hironori; Osaki, Naoto; Matsumoto, Yasuhiro; Kawakami, Satoru; Seto, Yoshiki; Kato, Masashi; Yamada, Shizuo; Ohno, Yasuo; Kojima, Hajime

2013-11-01

A reactive oxygen species (ROS) assay was previously developed for photosafety evaluation of pharmaceuticals, and the present multi-center study aimed to establish and validate a standard protocol for ROS assay. In three participating laboratories, two standards and 42 coded chemicals, including 23 phototoxins and 19 nonphototoxic drugs/chemicals, were assessed by the ROS assay according to the standardized protocol. Most phototoxins tended to generate singlet oxygen and/or superoxide under UV-vis exposure, but nonphototoxic chemicals were less photoreactive. In the ROS assay on quinine (200 µm), a typical phototoxic drug, the intra- and inter-day precisions (coefficient of variation; CV) were found to be 1.5-7.4% and 1.7-9.3%, respectively. The inter-laboratory CV for quinine averaged 15.4% for singlet oxygen and 17.0% for superoxide. The ROS assay on 42 coded chemicals (200 µm) provided no false negative predictions upon previously defined criteria as compared with the in vitro/in vivo phototoxicity, although several false positives appeared. Outcomes from the validation study were indicative of satisfactory transferability, intra- and inter-laboratory variability, and predictive capacity of the ROS assay. Copyright © 2012 John Wiley & Sons, Ltd.

Metabolite production by species of Stemphylium

DEFF Research Database (Denmark)

Olsen, Kresten Jon Kromphardt; Rossman, Amy; Andersen, Birgitte

2018-01-01

metabolites were found to be important for distinguishing species, while some unknown metabolites were also found to have important roles in distinguishing species of Stemphylium. This study is the first of its kind to investigate the chemical potential of Stemphylium across the whole genus.......Morphology and phylogeny has been used to distinguish members of the plant pathogenic fungal genus Stemphylium. A third method for distinguishing species is by chemotaxonomy. The main goal of the present study was to investigate the chemical potential of Stemphylium via HPLC-UV-MS analysis, while...

Links between plant litter chemistry, species diversity, and below-ground ecosystem function.

Science.gov (United States)

Meier, Courtney L; Bowman, William D

2008-12-16

Decomposition is a critical source of plant nutrients, and drives the largest flux of terrestrial C to the atmosphere. Decomposing soil organic matter typically contains litter from multiple plant species, yet we lack a mechanistic understanding of how species diversity influences decomposition processes. Here, we show that soil C and N cycling during decomposition are controlled by the composition and diversity of chemical compounds within plant litter mixtures, rather than by simple metrics of plant species diversity. We amended native soils with litter mixtures containing up to 4 alpine plant species, and we used 9 litter chemical traits to evaluate the chemical composition (i.e., the identity and quantity of compounds) and chemical diversity of the litter mixtures. The chemical composition of the litter mixtures was the strongest predictor of soil respiration, net N mineralization, and microbial biomass N. Soil respiration and net N mineralization rates were also significantly correlated with the chemical diversity of the litter mixtures. In contrast, soil C and N cycling rates were poorly correlated with plant species richness, and there was no relationship between species richness and the chemical diversity of the litter mixtures. These results indicate that the composition and diversity of chemical compounds in litter are potentially important functional traits affecting decomposition, and simple metrics like plant species richness may fail to capture variation in these traits. Litter chemical traits therefore provide a mechanistic link between organisms, species diversity, and key components of below-ground ecosystem function.

Chemical Composition and in-Vitro Evaluation of the Antimicrobial and Antioxidant Activities of Essential Oils Extracted from Seven Eucalyptus Species.

Science.gov (United States)

Ghaffar, Abdul; Yameen, Muhammad; Kiran, Shumaila; Kamal, Shagufta; Jalal, Fatima; Munir, Bushra; Saleem, Sadaf; Rafiq, Naila; Ahmad, Aftab; Saba, Iram; Jabbar, Abdul

2015-11-18

Eucalyptus is well reputed for its use as medicinal plant around the globe. The present study was planned to evaluate chemical composition, antimicrobial and antioxidant activity of the essential oils (EOs) extracted from seven Eucalyptus species frequently found in South East Asia (Pakistan). EOs from Eucalyptus citriodora, Eucalyptus melanophloia, Eucalyptus crebra, Eucalyptus tereticornis, Eucalyptus globulus, Eucalyptus camaldulensis and Eucalyptus microtheca were extracted from leaves through hydrodistillation. The chemical composition of the EOs was determined through GC-MS-FID analysis. The study revealed presence of 31 compounds in E. citriodora and E. melanophloia, 27 compounds in E. crebra, 24 compounds in E. tereticornis, 10 compounds in E. globulus, 13 compounds in E. camaldulensis and 12 compounds in E. microtheca. 1,8-Cineole (56.5%), α-pinene (31.4%), citrinyl acetate (13.3%), eugenol (11.8%) and terpenene-4-ol (10.2%) were the highest principal components in these EOs. E. citriodora exhibited the highest antimicrobial activity against the five microbial species tested (Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Aspergillus niger and Rhizopus solani). Gram positive bacteria were found more sensitive than Gram negative bacteria to all EOs. The diphenyl-1-picrylhydazyl (DPPH) radical scavenging activity and percentage inhibition of linoleic acid oxidation were highest in E. citriodora (82.1% and 83.8%, respectively) followed by E. camaldulensis (81.9% and 83.3%, respectively). The great variation in chemical composition of EOs from Eucalyptus, highlight its potential for medicinal and nutraceutical applications.

Chemical Composition and in-Vitro Evaluation of the Antimicrobial and Antioxidant Activities of Essential Oils Extracted from Seven Eucalyptus Species

Directory of Open Access Journals (Sweden)

Abdul Ghaffar

2015-11-01

Full Text Available Eucalyptus is well reputed for its use as medicinal plant around the globe. The present study was planned to evaluate chemical composition, antimicrobial and antioxidant activity of the essential oils (EOs extracted from seven Eucalyptus species frequently found in South East Asia (Pakistan. EOs from Eucalyptus citriodora, Eucalyptus melanophloia, Eucalyptus crebra, Eucalyptus tereticornis, Eucalyptus globulus, Eucalyptus camaldulensis and Eucalyptus microtheca were extracted from leaves through hydrodistillation. The chemical composition of the EOs was determined through GC-MS-FID analysis. The study revealed presence of 31 compounds in E. citriodora and E. melanophloia, 27 compounds in E. crebra, 24 compounds in E. tereticornis, 10 compounds in E. globulus, 13 compounds in E. camaldulensis and 12 compounds in E. microtheca. 1,8-Cineole (56.5%, α-pinene (31.4%, citrinyl acetate (13.3%, eugenol (11.8% and terpenene-4-ol (10.2% were the highest principal components in these EOs. E. citriodora exhibited the highest antimicrobial activity against the five microbial species tested (Staphylococcus aureus, Bacillus subtilis, Escherichia coli, Aspergillus niger and Rhizopus solani. Gram positive bacteria were found more sensitive than Gram negative bacteria to all EOs. The diphenyl-1-picrylhydazyl (DPPH radical scavenging activity and percentage inhibition of linoleic acid oxidation were highest in E. citriodora (82.1% and 83.8%, respectively followed by E. camaldulensis (81.9% and 83.3%, respectively. The great variation in chemical composition of EOs from Eucalyptus, highlight its potential for medicinal and nutraceutical applications.

Chemical warfare agents

Directory of Open Access Journals (Sweden)

Vijayaraghavan R

2010-01-01

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

Chemical warfare agents

Science.gov (United States)

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

2010-01-01

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

The physico-chemical I-131 species in the exhaust air of a boiling water reactor (BWR 5)

International Nuclear Information System (INIS)

Deuber, H.

1984-02-01

In a German boiling water reactor, the pysico-chemical I-131 species were determined in the plant exhaust and in the individual exhausts during four months. These measurements aimed in particular at determining the percentage and the source of the radiologically decisive elemental I-131 released to the environment. On an average 13% of the I-131 discharged with the plant exhaust consisted of elemental iodine. This was largely released with the exhausts from the reactor building and from the turbine building. The main component was organic-bound I. (orig./HP) [de

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

International Nuclear Information System (INIS)

Negron Mendoza, A.; Albarran, G.

1992-01-01

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

Expanding the species and chemical diversity of Penicillium section Cinnamopurpurea.

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Stephen W Peterson

Full Text Available A set of isolates very similar to or potentially conspecific with an unidentified Penicillium isolate NRRL 735, was assembled using a BLAST search of ITS similarity among described (GenBank and undescribed Penicillium isolates in our laboratories. DNA was amplified from six loci of the assembled isolates and sequenced. Two species in section Cinnamopurpurea are self-compatible sexual species, but the asexual species had polymorphic loci suggestive of sexual reproduction and variation in conidium size suggestive of ploidy level differences typical of heterothallism. Accordingly we use genealogical concordance analysis, a technique valid only in heterothallic organisms, for putatively asexual species. Seven new species were revealed in the analysis and are described here. Extrolite analysis showed that two of the new species, P. colei and P. monsserratidens produce the mycotoxin citreoviridin that has demonstrated pharmacological activity against human lung tumors. These isolates could provide leads in pharmaceutical research.

Comparison of chemical profiles between the root and aerial parts from three Bupleurum species based on a UHPLC-QTOF-MS metabolomics approach.

Science.gov (United States)

Zhu, Lin; Liang, Zhi-Tao; Yi, Tao; Ma, Yue; Zhao, Zhong-Zhen; Guo, Bao-Lin; Zhang, Jian-Ye; Chen, Hu-Biao

2017-06-12

Bupleuri Radix (Chaihu) represents one of the most successful and widely used herbal medicines in Asia for the treatment of many diseases such as inflammatory disorders and infectious diseases over the past 2000 years. In the Chinese Pharmacopoeia, Chaihu is recorded as the dried roots of Bupleurum chinense DC. and B. scorzonerifolium Willd. (Umbelliferae). However, the widespread demand for the herb has tended to far outstrip the supply. Whether the aerial parts, which account for 70 ~ 85% of the dry weights of Bupleurum species, could be used as an alternative for the root has become an important scientific issue for the sustainable utilization of Bupleurum species. On the other hand, in some areas including the southeast of China as well as in Spain, the aerial parts of Bupleurum species have already been used in the folk medications. Therefore, to clarify whether the root and aerial parts of Bupleurum species are "equivalent" in the types and quantities of chemical constituents which subsequently influence their biological activities and therapeutic effects is of great importance for both the rational and sustainable use of this herb. In the present study, the chemical profiles between the root and aerial parts of Bupleurum species from different species and collected from various locations were analyzed and compared by the ultra-high performance liquid chromatography quadrupole/time of flight-mass spectrometry (UHPLC-QTOF-MS). A total of 56 peaks were identified in the root and/or aerial parts from different batches of Bupleurum species, by comparison of references standards or with those reported in the literature. Principal Component Analysis (PCA) was conducted for displaying the differentiating clustering between these two parts. The results disclosed the distinct variations between them, which indicated that the aerial parts could not be used as an alternative of root from a chemodiversity perspective. The differentiating markers resulted from the PCA

Consideration on thermodynamic data for predicting solubility and chemical species of elements in groundwater. Part 1: Tc, U, Am

Energy Technology Data Exchange (ETDEWEB)

Yamaguchi, Tetsuji; Takeda, Seiji [Japan Atomic Energy Research Inst., Tokai, Ibaraki (Japan). Tokai Research Establishment

1999-01-01

The solubility determines the release of radionuclides from waste form and is used as a source term in radionuclide migration analysis in performance assessment of radioactive waste repository. Complexations of radionuclides by ligands in groundwater affect the interaction between radionuclides and geologic media, thus affect their migration behavior. Thermodynamic data for Tc, Am and U were reviewed and compiled to be used for predicting the solubility and chemical species in groundwater. Thermodynamic data were reviewed with emphasis on the hydrolysis and carbonate complexation that can dominate the speciation in typical groundwater. Thermodynamic data for other species were selected based on existing database. Thermodynamic data for other important elements are under investigation, thus shown in an appendix for temporary use. (author)

MORPHO-CHEMICAL DESCRIPTION AND ANTIMICROBIAL ACTIVITY OF DIFFERENT OCIMUM SPECIES

Directory of Open Access Journals (Sweden)

KAKARAPARTHI PANDU SASTRY

2012-12-01

Full Text Available Basil is a popular medicinal and culinary herb, and its essential oils have been used extensively for many years in food products, perfumery, dental and oral products. Basil essential oils and their principal constituents were found to exhibit antimicrobial activity against a wide range of Gram-negative and Gram-positive bacteria, yeast, and mould. The essential oils obtained from aerial parts of three different species of Ocimum comprising twenty one germplasm lines were investigated for their essential oil composition and antimicrobial activity during 2010. Essential oils from seventeen germplasm lines in Ocimum basilicum and two each in Ocimum tenuiflorum and Ocimum gratissimum were investigated for anti-microbial activity against four bacterial strains (Staphylococcus aureus, Bacillus sps., Escherichia coli and Pseudomonas aeruginosa. The morpho-chemotypes exhibited wide variability for morphological and chemical traits. Anti-bacterial activity was found to be high for Staphylococcus aureus, moderate for Escherichia coli, low for Bacillus and Pseudomonas aeruginosa was highly resistant. The essential oils of Pale Green-Broad Leaves (O. basilicum and CIM Ayu (O. gratissimum exhibited significant antibacterial activity against both S. aureus and E. coli signifying them promising for anti-bacterial activity. No relationship was observed between chemotype specificity and anti-bacterial activity, indicating that apart from major components of essential oil, minor components and other factors may be responsible for anti-microbial activities.

Mode of action human relevance (species concordance) framework: Evolution of the Bradford Hill considerations and comparative analysis of weight of evidence.

Science.gov (United States)

Meek, M E Bette; Palermo, Christine M; Bachman, Ammie N; North, Colin M; Jeffrey Lewis, R

2014-06-01

The mode of action human relevance (MOA/HR) framework increases transparency in systematically considering data on MOA for end (adverse) effects and their relevance to humans. This framework continues to evolve as experience increases in its application. Though the MOA/HR framework is not designed to address the question of "how much information is enough" to support a hypothesized MOA in animals or its relevance to humans, its organizing construct has potential value in considering relative weight of evidence (WOE) among different cases and hypothesized MOA(s). This context is explored based on MOA analyses in published assessments to illustrate the relative extent of supporting data and their implications for dose-response analysis and involved comparisons for chemical assessments on trichloropropane, and carbon tetrachloride with several hypothesized MOA(s) for cancer. The WOE for each hypothesized MOA was summarized in narrative tables based on comparison and contrast of the extent and nature of the supporting database versus potentially inconsistent or missing information. The comparison was based on evolved Bradford Hill considerations rank ordered to reflect their relative contribution to WOE determinations of MOA taking into account increasing experience in their application internationally. This clarification of considerations for WOE determinations as a basis for comparative analysis is anticipated to contribute to increasing consistency in the application of MOA/HR analysis and potentially, transparency in separating science judgment from public policy considerations in regulatory risk assessment. Copyright © 2014. The Authors. Journal of Applied Toxicology Published by John Wiley & Sons Ltd.

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

Science.gov (United States)

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

2016-12-01

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

Alien species recorded in the United Arab Emirates: an initial list of terrestrial and freshwater species

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Pritpal Soorae

2015-10-01

Full Text Available Little is documented on the alien terrestrial and freshwater species in the United Arab Emirates. To address this, an assessment of terrestrial and freshwater alien species was conducted using various techniques such as a questionnaire, fieldwork data, networking with relevant people, and a detailed literature review. The results of the initial assessment show that there are 146 alien species recorded in the following seven major taxonomic groups: invertebrates 49 species, freshwater fish five species, amphibian one species, reptiles six species, birds 71 species, mammals six species and plants eight species. To inform decision makers a full list of the 146 species identified in this assessment is presented. 

Simulation of the diurnal variations of the oxygen isotope anomaly (Δ17O of reactive atmospheric species

Directory of Open Access Journals (Sweden)

J. Savarino

2011-04-01

Full Text Available The isotope anomaly (Δ17O of secondary atmospheric species such as nitrate (NO3− or hydrogen peroxide (H2O2 has potential to provide useful constrains on their formation pathways. Indeed, the Δ17O of their precursors (NOx, HOx etc. differs and depends on their interactions with ozone, which is the main source of non-zero Δ17O in the atmosphere. Interpreting variations of Δ17O in secondary species requires an in-depth understanding of the Δ17O of their precursors taking into account non-linear chemical regimes operating under various environmental settings. This article reviews and illustrates a series of basic concepts relevant to the propagation of the Δ17O of ozone to other reactive or secondary atmospheric species within a photochemical box model. We present results from numerical simulations carried out using the atmospheric chemistry box model CAABA/MECCA to explicitly compute the diurnal variations of the isotope anomaly of short-lived species such as NOx and HOx. Using a simplified but realistic tropospheric gas-phase chemistry mechanism, Δ17O was propagated from ozone to other species (NO, NO2, OH, HO2, RO2, NO3, N2O5, HONO, HNO3, HNO4, H2O2 according to the mass-balance equations, through the implementation of various sets of hypotheses pertaining to the transfer of Δ17O during chemical reactions. The model results confirm that diurnal variations in Δ17O of NOx predicted by the photochemical steady-state relationship during the day match those from the explicit treatment, but not at night. Indeed, the Δ17O of NOx is "frozen" at night as soon as the photolytical lifetime of NOx drops below ca. 10 min. We introduce and quantify the diurnally-integrated isotopic signature (DIIS of sources of atmospheric nitrate and H2O2, which is of particular relevance to larger-scale simulations of Δ17O where high computational costs cannot be afforded.

Reaction of mutualistic and granivorous ants to ulex elaiosome chemicals.

Science.gov (United States)

Gammans, Nicola; Bullock, James M; Gibbons, Hannah; Schönrogge, Karsten

2006-09-01

It has been proposed that chemicals on plant elaiosomes aid seed detection by seed-dispersing ants. We hypothesized that the chemical interaction between ants and elaiosomes is more intimate than a generic attraction, and that elaiosome chemicals will attract mutualistic but not granivorous ant species. We investigated this by using two gorse species, Ulex minor and U. europaeus, and two associated ant species from European heathlands, the mutualist Myrmica ruginodis and the granivore Tetramorium caespitum. Behavioral studies were conducted with laboratory nests and foraging arenas. Both ants will take Ulex seeds, but while M. ruginodis showed increased antennation toward ether extracts of elaiosome surface chemicals compared with controls, T. caespitum showed no response. Elaiosome extracts were separated into seven lipid fractions. M. ruginodis showed increased antennation only toward the diglyceride fractions of both Ulex species, whereas T. caespitum showed no consistent reaction. This indicates that M. ruginodis can detect the elaiosome by responding to its surface chemicals, but T. caespitum is unresponsive to these chemicals. Responses to surface chemicals could increase the rate of seed detection in the field, and so these results suggest that Ulex elaiosomes produce chemicals that facilitate attraction of mutualistic rather than granivorous ant species. This could reduce seed predation and increase Ulex fitness.

Setting maximum sustainable yield targets when yield of one species affects that of other species

DEFF Research Database (Denmark)

Rindorf, Anna; Reid, David; Mackinson, Steve

2012-01-01

species. But how should we prioritize and identify most appropriate targets? Do we prefer to maximize by focusing on total yield in biomass across species, or are other measures targeting maximization of profits or preserving high living qualities more relevant? And how do we ensure that targets remain...

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

Science.gov (United States)

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

2010-08-01

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

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

Science.gov (United States)

Williamson, Bryce E.; Morikawa, Tetsuo

2002-01-01

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

Microbiological Features and Clinical Relevance of New Species of the Genus Mycobacterium

Science.gov (United States)

2014-01-01

SUMMARY Nontuberculous mycobacteria (NTM) are present in the environment, mainly in water, and are occasionally responsible for opportunistic infections in humans. Despite the fact that NTM are characterized by a moderate pathogenicity, the diseases caused by NTM at various body sites are increasing on a worldwide level. Among over 150 officially recognized NTM species, only two or three dozen are familiar to clinicians, and even to most microbiologists. In this paper, approximately 50 new species described in the last 8 years are reviewed, and their role in human infections is assessed on the basis of reported clinical cases. The small number of reports concerning most of the “new” mycobacterial species is responsible for the widespread conviction that they are very rare. Their role is actually largely underestimated, mainly because they often remain unrecognized and misidentified. Aiming to minimize such bias, emphasis has been placed on more common identification pitfalls. Together with new NTM, new members of the Mycobacterium tuberculosis complex described in the last few years are also an object of the present review. PMID:25278573

Essential Oils of Myrtaceae Species Growing Wild in Tunisia: Chemical Variability and Antifungal Activity Against Biscogniauxia mediterranea, the Causative Agent of Charcoal Canker.

Science.gov (United States)

Yangui, Islem; Zouaoui Boutiti, Meriem; Boussaid, Mohamed; Messaoud, Chokri

2017-07-01

The chemical composition of five Eucalyptus species and five Myrtus communis L. populations was investigated using GC/MS and GC-FID. For Eucalyptus essential oils, 32 compounds, representing 88.56 - 96.83% of the total oil according to species, were identified. The main compounds were 1,8-cineole, α-pinene, p-cymene, γ-gurjunene, α-aromadendrene, and β-phellandrene. For Myrtle essential oils, 26 compounds, representing 93.13 - 98.91% of the total oil were identified. α-Pinene, 1,8-cineole, linalool, and myrtenyl acetate were found to be the major compounds. Principal component analysis (PCA) showed chemical differentiation between Eucalyptus species and between Myrtle populations. Biscogniauxia mediterranea, the causative agent of charcoal canker, was identified according to its morphological and molecular characteristics. Essential oils of the investigated Eucalyptus species and Myrtle populations were tested for their antifungal capacity against this fungus. The antifungal activity varied according to the essential oil composition. Biscogniauxia mediterranea exhibited powerful resistance to some essential oils including them of Eucalyptus lehmannii and Eucalyptus sideroxylon but it was very sensitive to Eucalyptus camaldulensis oil (IC 50  = 3.83 mg/ml) and M. communis oil from Zaghouan (IC 50  = 1 mg/ml). This sensitivity was found to be correlated to some essential oil compounds such as p-cymene, carvacrol, cuminaldehyde, and linalool. © 2017 Wiley-VHCA AG, Zurich, Switzerland.

The Role of Diet in Shaping the Chemical Signal Design of Lacertid Lizards.

Science.gov (United States)

Baeckens, Simon; García-Roa, Roberto; Martín, José; Van Damme, Raoul

2017-09-01

Lizards communicate with others via chemical signals, the composition of which may vary among species. Although the selective pressures and constraints affecting chemical signal diversity at the species level remain poorly understood, the possible role of diet has been largely neglected. The chemical signals of many lizards originate from the femoral glands that exude a mixture of semiochemicals, and may be used in a variety of contexts. We analyzed the lipophilic fraction of the glandular secretions of 45 species of lacertid lizard species by gas chromatography/mass spectrometry. The proportions of nine major chemical classes (alcohols, aldehydes, fatty acids, furanones, ketones, steroids, terpenoids, tocopherols and waxy esters), the relative contributions of these different classes ('chemical diversity'), and the total number of different lipophilic compounds ('chemical richness') varied greatly among species. We examined whether interspecific differences in these chemical variables could be coupled to interspecific variation in diet using data from the literature. In addition, we compared chemical signal composition among species that almost never, occasionally, or often eat plant material. We found little support for the hypothesis that the chemical profile of a given species' secretion depends on the type of food consumed. Diet breadth did not correlate with chemical diversity or richness. The amount of plants or ants consumed did not affect the relative contribution of any of the nine major chemical classes to the secretion. Chemical diversity did not differ among lizards with different levels of plant consumption; however, chemical richness was low in species with an exclusive arthropod diet, suggesting that incorporating plants in the diet enables lizards to increase the number of compounds allocated to secretions, likely because a (partly) herbivorous diet allows them to include compounds of plant origin that are unavailable in animal prey. Still, overall

Modeling early physical and chemical events for DNA damage induced by photons and tritium beta particles

International Nuclear Information System (INIS)

Moiseenko, V.; Waker, A.J.; Prestwich, W.V.

1998-02-01

A method has been developed to model production of single-strand breaks (SSB) and double-strand breaks (DSB) in Deoxyribo Nucleic Acid (DNA) by ionizing radiations. Modeling is carried out by Monte Carlo means and includes consideration of direct energy depositions in DNA molecules, production of chemical species following water radiolysis, diffusion of chemical species, and their interactions with each other and DNA. Computer-generated electron tracks in liquid water are used to model energy deposition and to derive the initial localization of chemical species. Atomistic representation of the DNA with a first hydration shell is used to derive direct energy depositions in DNA molecules and the resulting consequences, and to derive coordinates of reactive sites for modeling of the chemical stage of radiation damage. Diffusion of chemical species is followed in time, and the reactions of species with each other and DNA are considered to occur in an encounter-controlled manner. Time of diffusion follow-up is restricted to 10 -12 - 10 -9 s, which yields a diffusion length of hydroxyl radicals comparable to that in the cellular environment. DNA SSB are assumed to result from any direct energy depositions in the sugar/phosphate moiety, ionizations in water molecules bound to sugar/phosphate and hydroxyl attacks on deoxyribose. DSB are assumed to result from two SSB on opposite strands separated by 10 or fewer base pairs. Photon radiations in the energy range 70 keV-1 MeV and tritium beta particles are considered. It is shown that for naked DNA in B-form (the configuration thought to be most biologically relevant) the effectiveness of tritium for SSB and DSB production is, within statistical uncertainties, comparable to photon radiation with energies in the range 70 keV-1 MeV, although a tendency for increased DSB production has been observed for 70 keV photons that represent orthovoltage X-rays and for tritium beta particles. It is predicted that hydroxyl radicals react

Steam sauna and mother roasting in Lao PDR: practices and chemical constituents of essential oils of plant species used in postpartum recovery

Science.gov (United States)

2011-01-01

Background Fundamental in traditional postpartum recovery in Lao PDR is the use of hotbeds, mother roasting, steam sauna and steam baths. During these treatments medicinal plants play a crucial role, but little has been published about how the treatments are carried out precisely, which species are used, the medicinal properties of these species, and the medicinal efficacy of their chemical constituents. Methods Sixty-five interviews, in 15 rural villages, with women of 4 different ethnic groups were conducted to survey confinement rituals, and postpartum plant use and salience. Essential oils from the main species used were extracted using steam distillation and the main chemical constituents characterized using gas chromatography-mass spectrometry (GC-MS). Results A total of 10 different species were used by three or more of the ethnic groups included in this study. All species were used in steam sauna and bath, but only 3 species were used in hotbed and mother roasting. Essential oils of Amomum villosum, Amomum microcarpum and Blumea balsamifera were found to contain significant amounts of the following terpenes: β-pinene, camphor, bornyl acetate, borneol, linalool, D-limonene, fenchone, terpinen-4-ol and α-terpinene. Conclusions Many of these terpenes have documented antimicrobial and analgesic properties, and some have also synergistic interactions with other terpenes. The mode of application in hotbed and mother roasting differs from the documented mechanisms of action of these terpenes. Plants in these two practices are likely to serve mainly hygienic purposes, by segregating the mother from infection sources such as beds, mats, stools, cloth and towels. Steam sauna medicinal plant use through inhalation of essential oils vapors can possibly have medicinal efficacy, but is unlikely to alleviate the ailments commonly encountered during postpartum convalescence. Steam sauna medicinal plant use through dermal condensation of essential oils, and steam bath

Habitat or matrix: which is more relevant to predict road-kill of vertebrates?

Science.gov (United States)

Bueno, C; Sousa, C O M; Freitas, S R

2015-11-01

We believe that in tropics we need a community approach to evaluate road impacts on wildlife, and thus, suggest mitigation measures for groups of species instead a focal-species approach. Understanding which landscape characteristics indicate road-kill events may also provide models that can be applied in other regions. We intend to evaluate if habitat or matrix is more relevant to predict road-kill events for a group of species. Our hypothesis is: more permeable matrix is the most relevant factor to explain road-kill events. To test this hypothesis, we chose vertebrates as the studied assemblage and a highway crossing in an Atlantic Forest region in southeastern Brazil as the study site. Logistic regression models were designed using presence/absence of road-kill events as dependent variables and landscape characteristics as independent variables, which were selected by Akaike's Information Criterion. We considered a set of candidate models containing four types of simple regression models: Habitat effect model; Matrix types effect models; Highway effect model; and, Reference models (intercept and buffer distance). Almost three hundred road-kills and 70 species were recorded. River proximity and herbaceous vegetation cover, both matrix effect models, were associated to most road-killed vertebrate groups. Matrix was more relevant than habitat to predict road-kill of vertebrates. The association between river proximity and road-kill indicates that rivers may be a preferential route for most species. We discuss multi-species mitigation measures and implications to movement ecology and conservation strategies.

Chemical constituents of Asparagus

Science.gov (United States)

Negi, J. S.; Singh, P.; Joshi, G. P.; Rawat, M. S.; Bisht, V. K.

2010-01-01

Asparagus species (family Liliaceae) are medicinal plants of temperate Himalayas. They possess a variety of biological properties, such as being antioxidants, immunostimulants, anti-inflammatory, antihepatotoxic, antibacterial, antioxytocic, and reproductive agents. The article briefly reviews the isolated chemical constituents and the biological activities of the plant species. The structural formula of isolated compounds and their distribution in the species studied are also given. PMID:22228964

Relationships between respiration, chemical and microbial properties of afforested mine soils with different soil texture and tree species: Does the time of incubation matter

Czech Academy of Sciences Publication Activity Database

Józefowska, A.; Pietrzykowski, M.; Woś, B.; Cajthaml, T.; Frouz, Jan

2017-01-01

Roč. 80, May (2017), s. 102-109 ISSN 1164-5563 Institutional support: RVO:60077344 Keywords : afforested mine soils * soil texture * tree species * chemical properties * microbial properties Subject RIV: DF - Soil Science OBOR OECD: Soil science Impact factor: 2.445, year: 2016

Response of the global climate to changes in atmospheric chemical composition due to fossil fuel burning

Science.gov (United States)

Hameed, S.; Cess, R. D.; Hogan, J. S.

1980-01-01

Recent modeling of atmospheric chemical processes (Logan et al, 1978; Hameed et al, 1979) suggests that tropospheric ozone and methane might significantly increase in the future as the result of increasing anthropogenic emissions of CO, NO(x), and CH4 due to fossil fuel burning. Since O3 and CH4 are both greenhouse gases, increases in their concentrations could augment global warming due to larger future amounts of atmospheric CO2. To test the possible climatic impact of changes in tropospheric chemical composition, a zonal energy-balance climate model has been combined with a vertically averaged tropospheric chemical model. The latter model includes all relevant chemical reactions which affect species derived from H2O, O2, CH4, and NO(x). The climate model correspondingly incorporates changes in the infrared heating of the surface-troposphere system resulting from chemically induced changes in tropospheric ozone and methane. This coupled climate-chemical model indicates that global climate is sensitive to changes in emissions of CO, NO(x) and CH4, and that future increases in these emissions could augment global warming due to increasing atmospheric CO2.

Toward a conceptual approach for assessing risks from chemical mixtures and other stressors to coastal ecosystem services

DEFF Research Database (Denmark)

Syberg, Kristian; Backhaus, Thomas; Banta, Gary Thomas

2017-01-01

in Costa Rica) are provided; one focuses on chemicals that affect human food supply and the other addresses pesticide runoff and trade-offs among ES. The 2 cases are used to highlight challenges of such risk assessments, including use of standardized versus ES-relevant test species, data completeness......, translate impacts into ES units; step F, assess cumulative risk in ES units; step G, rank stressors based on their contribution to adverse effects on ES; and step H, implement regulation and management as appropriate and necessary. Two illustrative case studies (Swedish coastal waters and a coastal lagoon......, and trade-offs among ES. Lessons learned from the 2 case studies are discussed in relation to environmental risk assessment and management of chemical mixtures....

COMPLEMENTARY APPROACHES TO THE DETERMINATION OF ARSENIC SPECIES RELEVANT TO CONCENTRATED ANIMAL FEEDING OPERATIONS

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Ion-exchange chromatography is the most often used analytical approach for arsenicspeciation, due to the weak-acid nature of several of its species. However, no singletechnique can determine all potentially occurring arsenic species, especially in complexe...

Sequential chemical treatment of radium species in TENORM waste sludge produced from oil and natural gas production

International Nuclear Information System (INIS)

El Afifi, E.M.; Awwad, N.S.; Hilal, M.A.

2009-01-01

This paper is dedicated to the treatment of sludge occurring in frame of the Egyptian produced from oil and gas production. The activity levels of three radium isotopes: Ra-226 (of U-series), Ra-228 and Ra-224 (of Th-series) in the solid TENORM waste (sludge) were first evaluated and followed by a sequential treatment for all radium species (fractions) presented in TENORM. The sequential treatment was carried out based on two approaches 'A' and 'B' using different chemical solutions. The results obtained indicate that the activity levels of all radium isotopes (Ra-226, Ra-228 and Ra-224) of the environmental interest in the TENORM waste sludge were elevated with regard to exemption levels established by IAEA [International Atomic Energy Agency (IAEA), International basic safety standards for the protection against ionizing radiation and for the safety of radiation sources. GOV/2715/Vienna, 1994]. Each approach of the sequential treatment was performed through four steps using different chemical solutions to reduce the activity concentration of radium in a large extent. Most of the leached radium was found as an oxidizable Ra species. The actual removal % leached using approach B was relatively efficient compared to A. It is observed that the actual removal percentages (%) of Ra-226, Ra-228 and Ra-224 using approach A are 78 ± 2.8, 64.8 ± 4.1 and 76.4 ± 5.2%, respectively. Whereas in approach A, the overall removal % of Ra-226, Ra-228 and Ra-228 was increased to ∼91 ± 3.5, 87 ± 4.1 and 90 ± 6.2%, respectively

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

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

2017-06-06

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

Chromatographic speciation of Cr(III)-species, inter-species equilibrium isotope fractionation and improved chemical purification strategies for high-precision isotope analysis.

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Larsen, K K; Wielandt, D; Schiller, M; Bizzarro, M

2016-04-22

Chromatographic purification of chromium (Cr), which is required for high-precision isotope analysis, is complicated by the presence of multiple Cr-species with different effective charges in the acid digested sample aliquots. The differing ion exchange selectivity and sluggish reaction rates of these species can result in incomplete Cr recovery during chromatographic purification. Because of large mass-dependent inter-species isotope fractionation, incomplete recovery can affect the accuracy of high-precision Cr isotope analysis. Here, we demonstrate widely differing cation distribution coefficients of Cr(III)-species (Cr(3+), CrCl(2+) and CrCl2(+)) with equilibrium mass-dependent isotope fractionation spanning a range of ∼1‰/amu and consistent with theory. The heaviest isotopes partition into Cr(3+), intermediates in CrCl(2+) and the lightest in CrCl2(+)/CrCl3°. Thus, for a typical reported loss of ∼25% Cr (in the form of Cr(3+)) through chromatographic purification, this translates into 185 ppm/amu offset in the stable Cr isotope ratio of the residual sample. Depending on the validity of the mass-bias correction during isotope analysis, this further results in artificial mass-independent effects in the mass-bias corrected (53)Cr/(52)Cr (μ(53)Cr* of 5.2 ppm) and (54)Cr/(52)Cr (μ(54)Cr* of 13.5 ppm) components used to infer chronometric and nucleosynthetic information in meteorites. To mitigate these fractionation effects, we developed strategic chemical sample pre-treatment procedures that ensure high and reproducible Cr recovery. This is achieved either through 1) effective promotion of Cr(3+) by >5 days exposure to HNO3H2O2 solutions at room temperature, resulting in >∼98% Cr recovery for most types of sample matrices tested using a cationic chromatographic retention strategy, or 2) formation of Cr(III)-Cl complexes through exposure to concentrated HCl at high temperature (>120 °C) for several hours, resulting in >97.5% Cr recovery using a

Habitat or matrix: which is more relevant to predict road-kill of vertebrates?

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C. Bueno

Full Text Available Abstract We believe that in tropics we need a community approach to evaluate road impacts on wildlife, and thus, suggest mitigation measures for groups of species instead a focal-species approach. Understanding which landscape characteristics indicate road-kill events may also provide models that can be applied in other regions. We intend to evaluate if habitat or matrix is more relevant to predict road-kill events for a group of species. Our hypothesis is: more permeable matrix is the most relevant factor to explain road-kill events. To test this hypothesis, we chose vertebrates as the studied assemblage and a highway crossing in an Atlantic Forest region in southeastern Brazil as the study site. Logistic regression models were designed using presence/absence of road-kill events as dependent variables and landscape characteristics as independent variables, which were selected by Akaike’s Information Criterion. We considered a set of candidate models containing four types of simple regression models: Habitat effect model; Matrix types effect models; Highway effect model; and, Reference models (intercept and buffer distance. Almost three hundred road-kills and 70 species were recorded. River proximity and herbaceous vegetation cover, both matrix effect models, were associated to most road-killed vertebrate groups. Matrix was more relevant than habitat to predict road-kill of vertebrates. The association between river proximity and road-kill indicates that rivers may be a preferential route for most species. We discuss multi-species mitigation measures and implications to movement ecology and conservation strategies.

Chemical equilibrium of ablation materials including condensed species

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

1975-01-01

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

Anti-Inflammatory Properties and Chemical Characterization of the Essential Oils of Four Citrus Species.

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Amorim, Jorge Luis; Simas, Daniel Luiz Reis; Pinheiro, Mariana Martins Gomes; Moreno, Daniela Sales Alviano; Alviano, Celuta Sales; da Silva, Antonio Jorge Ribeiro; Fernandes, Patricia Dias

2016-01-01

Citrus fruits have potential health-promoting properties and their essential oils have long been used in several applications. Due to biological effects described to some citrus species in this study our objectives were to analyze and compare the phytochemical composition and evaluate the anti-inflammatory effect of essential oils (EO) obtained from four different Citrus species. Mice were treated with EO obtained from C. limon, C. latifolia, C. aurantifolia or C. limonia (10 to 100 mg/kg, p.o.) and their anti-inflammatory effects were evaluated in chemical induced inflammation (formalin-induced licking response) and carrageenan-induced inflammation in the subcutaneous air pouch model. A possible antinociceptive effect was evaluated in the hot plate model. Phytochemical analyses indicated the presence of geranial, limonene, γ-terpinene and others. EOs from C. limon, C. aurantifolia and C. limonia exhibited anti-inflammatory effects by reducing cell migration, cytokine production and protein extravasation induced by carrageenan. These effects were also obtained with similar amounts of pure limonene. It was also observed that C. aurantifolia induced myelotoxicity in mice. Anti-inflammatory effect of C. limon and C. limonia is probably due to their large quantities of limonene, while the myelotoxicity observed with C. aurantifolia is most likely due to the high concentration of citral. Our results indicate that these EOs from C. limon, C. aurantifolia and C. limonia have a significant anti-inflammatory effect; however, care should be taken with C. aurantifolia.

Anti-Inflammatory Properties and Chemical Characterization of the Essential Oils of Four Citrus Species.

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Jorge Luis Amorim

Full Text Available Citrus fruits have potential health-promoting properties and their essential oils have long been used in several applications. Due to biological effects described to some citrus species in this study our objectives were to analyze and compare the phytochemical composition and evaluate the anti-inflammatory effect of essential oils (EO obtained from four different Citrus species. Mice were treated with EO obtained from C. limon, C. latifolia, C. aurantifolia or C. limonia (10 to 100 mg/kg, p.o. and their anti-inflammatory effects were evaluated in chemical induced inflammation (formalin-induced licking response and carrageenan-induced inflammation in the subcutaneous air pouch model. A possible antinociceptive effect was evaluated in the hot plate model. Phytochemical analyses indicated the presence of geranial, limonene, γ-terpinene and others. EOs from C. limon, C. aurantifolia and C. limonia exhibited anti-inflammatory effects by reducing cell migration, cytokine production and protein extravasation induced by carrageenan. These effects were also obtained with similar amounts of pure limonene. It was also observed that C. aurantifolia induced myelotoxicity in mice. Anti-inflammatory effect of C. limon and C. limonia is probably due to their large quantities of limonene, while the myelotoxicity observed with C. aurantifolia is most likely due to the high concentration of citral. Our results indicate that these EOs from C. limon, C. aurantifolia and C. limonia have a significant anti-inflammatory effect; however, care should be taken with C. aurantifolia.

Sea-dumped chemical weapons: environmental risk, occupational hazard.

Science.gov (United States)

Greenberg, M I; Sexton, K J; Vearrier, D

2016-01-01

for decades. Rates of solubility and hydrolysis and levels of innate toxicity of a chemical agent are used to predict the risk to the marine environments. The organoarsenicals eventually breakdown into arsenic, and thus present an indefinite timeline for contamination. Generally, studies assaying sediment and water levels of parent chemical agents and breakdown products at dumpsites have found minimal amounts of relevant chemicals, although arsenic levels are typically higher in dumpsites than reference areas. Studies of marine organisms have not shown concerning amounts of chemical agents or breakdown products in tissue, but have shown evidence of chronic toxicity. There is believed to be minimal risk posed by seafood consumption. Microbiota assays of dumpsites are significantly altered in species composition compared to reference sites, which may imply unseen but significant changes to ecosystems of dumpsites. Human health concerns: The major human health risk at this time appears to arise from acute exposure to an agent by either accidental recovery of a chemical weapon on a fishing vessel, or by munitions washed ashore onto beaches. Improving technology continues to make the deep sea more accessible, thus increasing the risk of disturbing munitions lying on or buried in the seabed. Pipe laying, cable burying, drilling, scuba diving, trawling, and undersea scientific research are the activities posing the most risk. The long-term threat to the benthic habitat via increased arsenic concentrations, shifts in microbiota speciation, and chronic toxicity to vertebrates and invertebrates is not currently understood. The risk to the environment of massive release via disturbance remains a distinct possibility. Terrorist recovery and re-weaponization of chemical agents is a remote possibility.

Latin American protected areas: Protected from chemical pollution?

Science.gov (United States)

Rodríguez-Jorquera, Ignacio A; Siroski, Pablo; Espejo, Winfred; Nimptsch, Jorge; Choueri, Paloma Gusso; Choueri, Rodrigo Brasil; Moraga, Claudio A; Mora, Miguel; Toor, Gurpal S

2017-03-01

Protected areas (PAs) are critically important means to preserve species and maintain natural ecosystems. However, the potential impacts of chemical pollution on PAs are seldom mentioned in the scientific literature. Research on the extent of the occurrence of chemical pollution inside PAs and in-depth assessments of how chemical contaminants may adversely affect the maintenance of species abundance, species survival, and ecosystem functions are scarce to nonexistent. We investigated 1) the occurrence of chemical contaminants inside 119 PAs in Latin America from publically available databases, and 2) reviewed case studies of chemical contaminants and pollution in 4 Latin American PAs. Cases of chemical pollution and contamination inside Latin American PAs mostly originated from sources such as mining, oil, and gas extraction. To date, the focus of the research on chemical pollution research inside Latin American PAs has been primarily on the detection of contamination, typically limited to trace metals. Where management actions have occurred, they have been reactive rather than proactive. Protected areas established in wetlands are the most affected by chemical pollution. Based on the information from the pollution and/or contamination occurrence and the case studies analyzed, Latin American PAs are not well safeguarded from chemical pollution, resulting in both challenges and opportunities to conserve biodiversity and ecosystems. Integr Environ Assess Manag 2017;13:360-370. © 2016 SETAC. © 2016 SETAC.

Toward refined environmental scenarios for ecological risk assessment of down-the-drain chemicals in freshwater environments.

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Franco, Antonio; Price, Oliver R; Marshall, Stuart; Jolliet, Olivier; Van den Brink, Paul J; Rico, Andreu; Focks, Andreas; De Laender, Frederik; Ashauer, Roman

2017-03-01

Current regulatory practice for chemical risk assessment suffers from the lack of realism in conventional frameworks. Despite significant advances in exposure and ecological effect modeling, the implementation of novel approaches as high-tier options for prospective regulatory risk assessment remains limited, particularly among general chemicals such as down-the-drain ingredients. While reviewing the current state of the art in environmental exposure and ecological effect modeling, we propose a scenario-based framework that enables a better integration of exposure and effect assessments in a tiered approach. Global- to catchment-scale spatially explicit exposure models can be used to identify areas of higher exposure and to generate ecologically relevant exposure information for input into effect models. Numerous examples of mechanistic ecological effect models demonstrate that it is technically feasible to extrapolate from individual-level effects to effects at higher levels of biological organization and from laboratory to environmental conditions. However, the data required to parameterize effect models that can embrace the complexity of ecosystems are large and require a targeted approach. Experimental efforts should, therefore, focus on vulnerable species and/or traits and ecological conditions of relevance. We outline key research needs to address the challenges that currently hinder the practical application of advanced model-based approaches to risk assessment of down-the-drain chemicals. Integr Environ Assess Manag 2017;13:233-248. © 2016 SETAC. © 2016 SETAC.

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

International Nuclear Information System (INIS)

Chang, K.S.

1999-01-01

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

A review of reaction rates and thermodynamic and transport properties for an 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

Science.gov (United States)

Gupta, Roop N.; Yos, Jerrold M.; Thompson, Richard A.; Lee, Kam-Pui

1990-01-01

Reaction rate coefficients and thermodynamic and transport properties are reviewed and supplemented for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium up to temperatures of 3000 K. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Curve fits are given for the various species properties for their efficient computation in flowfield codes. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in a high energy environment. Limitations of the approximate mixing laws are discussed for a mixture of ionized species. An electron number-density correction for the transport properties of the charged species is obtained. This correction has been generally ignored in the literature.

Chemical compositions of essential oils from two Artemisia species used in Mongolian traditional medicine

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Javzmaa N

2018-02-01

Full Text Available Essential oils of aromatic and medicinal plants generally have a diverse range of activities because they possess many active constituents that work through a several modes of action. Artemisia, the largest genus of the family Asteraceae, has a number of effects against human and plant diseases. The main purpose of the present study was to investigate chemical compositions of essential oils of two Artemisia species, Artemisia palustris L and Artemisia sericea Weber ex Stechm from the Mongolian steppe zone using gas chromatography and gas chromatography-mass spectrometry. The essential oil of A.palustris was characterized by the presence of monoterpene hydrocarbons such as  trans-β-ocimene (59.1%, cis-β-ocimene (11.6% and myrcene (7.1%, while the oil of A.sericea was dominated by the presence of three oxygenated monoterpenoids as 1,8-cineole (25.8%, borneol (22.5% and camphor (18.8% which are used for preparation of a fragrance and medicinal products.

Chemical sanitizers to control biofilms formed by two Pseudomonas species on stainless steel surface

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Danila Soares Caixeta

2012-03-01

Full Text Available The biofilm formation of Pseudomonas aeruginosa and Pseudomonas fluorescens on AISI 304 stainless steel in the presence of reconstituted skim milk under different temperatures was conducted, and the potential of three chemical sanitizers in removing the mono-species biofilms formed was compared. Pseudomonas aeruginosa cultivated in skim milk at 28 °C presented better growth rate (10.4 log CFU.mL-1 when compared with 3.7 and 4.2 log CFU.mL-1 for P. aeruginosa and P. fluorescens cultivated at 7 °C, respectively. Pseudomonas aeruginosa formed biofilm when cultivated at 28 °C. However, only the adhesion of P. aeruginosa and P. fluorescens was observed when incubated at 7 °C. The sodium dichloroisocyanurate was the most efficient sanitizer in the reduction of the adhered P. aeruginosa cells at 7 and 28 °C and those on the biofilm, respectively. The hydrogen peroxide was more effective in the reduction of adhered cells of P. fluorescens at 7 °C.

A real-time PCR assay with improved specificity for detection and discrimination of all clinically relevant Bordetella species by the presence and distribution of three Insertion Sequence elements

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Ossewaarde Jacobus M

2011-01-01

Full Text Available Abstract Background In Dutch laboratories molecular detection of B. pertussis and B. parapertussis is commonly based on insertion sequences IS481 and IS1001, respectively. Both IS elements are more widely spread among Bordetella species. Both Bordetella holmesii, and B. bronchiseptica can harbour IS481. Also, IS1001 is found among B. bronchiseptica. IS481, and IS1001 based PCR thus lacks specificity when used for detection of specific Bordetella spp. Findings We designed a PCR based on IS1002, another IS element that is present among Bordetella species, and exploited it as a template in combination with PCR for IS481, and IS1001. In combining the PCRs for IS481, IS1001, and IS1002, and including an inhibition control, we were able to detect and discriminate all clinically relevant Bordetella species. Conclusions We developed an improved PCR method for specific detection of B. pertussis, B. parapertussis, B. holmesii, and B. bronchiseptica.

Chemical scissors cut phosphorene nanostructures

International Nuclear Information System (INIS)

Peng, Xihong; Wei, Qun

2014-01-01

Phosphorene, a recently fabricated two-dimensional puckered honeycomb structure of phosphorus, showed promising properties for applications in nano-electronics. In this work, we report a chemical scissors effect on phosphorene, using first-principles method. It was found that chemical species, such as H, OH, F, and Cl, can act as scissors to cut phosphorene. Phosphorus nanochains and nanoribbons can be obtained. The scissors effect results from the strong bonding between the chemical species and phosphorus atoms. Other species such as O, S and Se fail to cut phosphorene nanostructures due to their weak bonding with phosphorus. The electronic structures of the produced P-chains reveal that the hydrogenated chain is an insulator while the pristine chain is a one-dimensional Dirac material, in which the charge carriers are massless fermions travelling at an effective speed of light ∼8 × 10 5 m s −1 . The obtained zigzag phosphorene nanoribbons show either metallic or semiconducting behaviors, depending on the treatment of the edge phosphorus atoms. (paper)

Aggregation-induced chemical reactions: acid dissociation in growing water clusters.

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Forbert, Harald; Masia, Marco; Kaczmarek-Kedziera, Anna; Nair, Nisanth N; Marx, Dominik

2011-03-23

Understanding chemical reactivity at ultracold conditions, thus enabling molecular syntheses via interstellar and atmospheric processes, is a key issue in cryochemistry. In particular, acid dissociation and proton transfer reactions are ubiquitous in aqueous microsolvation environments. Here, the full dissociation of a HCl molecule upon stepwise solvation by a small number of water molecules at low temperatures, as relevant to helium nanodroplet isolation (HENDI) spectroscopy, is analyzed in mechanistic detail. It is found that upon successive aggregation of HCl with H(2)O molecules, a series of cyclic heteromolecular structures, up to and including HCl(H(2)O)(3), are initially obtained before a precursor state for dissociation, HCl(H(2)O)(3)···H(2)O, is observed upon addition of a fourth water molecule. The latter partially aggregated structure can be viewed as an "activated species", which readily leads to dissociation of HCl and to the formation of a solvent-shared ion pair, H(3)O(+)(H(2)O)(3)Cl(-). Overall, the process is mostly downhill in potential energy, and, in addition, small remaining barriers are overcome by using kinetic energy released as a result of forming hydrogen bonds due to aggregation. The associated barrier is not ruled by thermal equilibrium but is generated by athermal non-equilibrium dynamics. These "aggregation-induced chemical reactions" are expected to be of broad relevance to chemistry at ultralow temperature much beyond HENDI spectroscopy.

Ethnopharmacological and Chemical Characterization of Salvia Species Used in Valencian Traditional Herbal Preparations

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Vanessa Martínez-Francés

2017-07-01

Full Text Available In Valencia Region (Spain, some wild and cultivated sages are used for medicinal purposes. Among them, Salvia officinalis subsp. lavandulifolia (SL is widely employed and known for production of Spanish sage oil and herbal products. Nevertheless, it shares the market with S. blancoana subsp. mariolensis (SB and, to a lesser extent, with their hybrid S. x hegelmaieri (SH. The knowledge on these two species is far low and confusion between them is possible. The aim of the present paper is to improve the ethnopharmacological, morphological and chemical knowledge of these sages, and to contribute to setting up quality specifications for improving identification and distinction from other Salvia species, such as, S. officinalis subsp. officinalis, S. x auriculata and S. microphylla var. microphylla. Samples were collected in Valencia Region and surrounding mountain areas during the ethnopharmacological field work. Twenty-nine medicinal uses were reported for SL, 13 of them being also recorded for SB. Of particular interest is a homemade liquor, used as digestive and known as “salvieta,” which is mainly prepared with SB. The macro- and microscopic characters are insufficient for identification of cut, crushed or powdered material. The study of the essential oil and a HPTLC (High Performance Thin Layer Chromatography fingerprint of their extracts could help to distinguish SB from the other sages. The essential oil from dried aerial parts of SB (content: 1.8–4.5% was characterized by GC-FID (Gas Chromatography with Flame Ionization Detector and GC-MS (Gas Chromatography coupled to Mass Spectrometry showing a composition close to that currently accepted for Spanish sage essential oil in the European Pharmacopoeia, ISO (International Standard Organization and UNE (Una Norma Española standards, with 1,8-cineole (13.7–45.7% and camphor (12.1–28.6% as major constituents. HPTLC methods, based on the analysis of hydroalcoholic and dichloromethane

Clinical Considerations in the Assessment of Adolescent Chemical Dependency.

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Winters, Ken

1990-01-01

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

Chemical analogy in the case of hydrolysis species of F-elements

International Nuclear Information System (INIS)

Hirotake Moriyama; Hajimu Yamana; Kenso Fujiwara

2001-01-01

In spite of much importance, some of the thermodynamic data of actinide elements are still lacking, and the chemical behaviour of these elements is often predicted by considering chemical analogy, that is by taking the known data of the same and similar group elements. It is thus quite important to establish the basis and conditions for applying the chemical analogy. In the present study, some topics are discussed which are related with the chemical analogy for the hydrolysis behaviour of actinide ions. Systematic trends of the thermodynamic data of actinide ions, namely the solubility products and hydrolysis constants, are discussed by considering the results of recent measurements and by considering possible contributions of non-electrostatic interactions of actinide ions in addition to those of ordinary electrostatic ones. (authors)

Water-soluble triazabutadienes that release diazonium species upon protonation under physiologically relevant conditions.

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Kimani, Flora W; Jewett, John C

2015-03-23

Triazabutadienes are an understudied structural motif that have remarkable reactivity once rendered water-soluble. It is shown that these molecules readily release diazonium species in a pH-dependent manner in a series of buffer solutions with pH ranges similar to those found in cells. Upon further development, we expect that this process will be well suited to cargo-release strategies and organelle-specific bioconjugation reactions. These compounds offer one of the mildest ways of generating diazonium species in aqueous solutions. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

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

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

Chemical analysis of bioactive substances in seven siberian Saussurea species

Science.gov (United States)

Avdeeva, Elena; Reshetov, Yaroslav; Shurupova, Margarita; Zibareva, Larisa; Borisova, Evgeniia; Belousov, Mikhail

2017-11-01

Main groups of biologically active substances of seven siberian Saussurea species (S. controversa DC., S. latifolia Ledeb., S. parviflora (Poir.) DC., S. frolowii Ledeb, S. amara (L.) DC., S. salicifolia (L.) DC. and S. daurica Adams) have been studied using paper, thin-layer, performance liquid chromatography, IR spectroscopy, spectrophotometry and mass spectrometry with inductively coupled plasma. Siberian Saussurea species have a rich elemental composition and contain a variety of phenolic compounds, amino acids, polysaccharides. The majority of polysaccharides are accumulated by S. controversa, S. salicifolia and S. frolowii. These plants contain a significant amount of calcium that may be a species characteristic. All plants contain quercetin and its glycosides, in some species luteolin, kaempferol, glycosides of apigenin and myricetin were revealed. Phenolic acids with predominant content of caffeic, chlorogenic and cinnamic acids were found in all the species. The maximum amount of phenolic acids and flavonoids was determined in the grass of S. latifolia, S. controversa and S. daurica. Characteristic absorption bands of lactone carbonyl of sesquiterpenoids in IR spectrum found in S. latifolia, S. controversa, S. daurica, S. amara and S. salicifolia. HPLC / UV analysis showed that peaks with absorption maxima of 242-246 nm due to the presence of α,β-unsaturated ketone group in the structure of ecdysteroids were found in S. salicifolia, S. controversa, S. daurica and S. latifolia.

Soil-leaf transfer of chemical elements for the Atlantic Forest

International Nuclear Information System (INIS)

Joacir De Franca, E.; De Nadai Fernandes, E.A.; Bacchi, M.A.; Tagliaferro, F.S.

2007-01-01

Soil analysis could improve environmental studies since soil is the main source of chemical elements for plants. In this study, soil samples collected at 0-10 cm depth under tree crown projection were analyzed by INAA. Using the chemical composition of the leaf previously determined, the leaf-soil transfer factors of chemical elements could be estimated for the Atlantic Forest. Despite the variability of the intra-species, the transfer factors were specific for some plant species due to their element accumulation in the leaves. Similar Br-Zn combined transfer factors were obtained for the species grouped according to habitats in relation to their position (understory or dominant species) in the forest canopy. (author)

Approximate method for stochastic chemical kinetics with two-time scales by chemical Langevin equations

International Nuclear Information System (INIS)

Wu, Fuke; Tian, Tianhai; Rawlings, James B.; Yin, George

2016-01-01

The frequently used reduction technique is based on the chemical master equation for stochastic chemical kinetics with two-time scales, which yields the modified stochastic simulation algorithm (SSA). For the chemical reaction processes involving a large number of molecular species and reactions, the collection of slow reactions may still include a large number of molecular species and reactions. Consequently, the SSA is still computationally expensive. Because the chemical Langevin equations (CLEs) can effectively work for a large number of molecular species and reactions, this paper develops a reduction method based on the CLE by the stochastic averaging principle developed in the work of Khasminskii and Yin [SIAM J. Appl. Math. 56, 1766–1793 (1996); ibid. 56, 1794–1819 (1996)] to average out the fast-reacting variables. This reduction method leads to a limit averaging system, which is an approximation of the slow reactions. Because in the stochastic chemical kinetics, the CLE is seen as the approximation of the SSA, the limit averaging system can be treated as the approximation of the slow reactions. As an application, we examine the reduction of computation complexity for the gene regulatory networks with two-time scales driven by intrinsic noise. For linear and nonlinear protein production functions, the simulations show that the sample average (expectation) of the limit averaging system is close to that of the slow-reaction process based on the SSA. It demonstrates that the limit averaging system is an efficient approximation of the slow-reaction process in the sense of the weak convergence.

Prioritizing Environmental Chemicals for Obesity and Diabetes ...

Science.gov (United States)

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

IMPACT OF WOODY PLANTS SPECIES ON SOIL PHYSIO-CHEMICAL PROPERTIES ALONG GRAZING GRADIENTS IN RANGELANDS OF EASTERN ETHIOPIA

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Mohammed Mussa Abdulahi

2016-12-01

Full Text Available In the lowlands of arid and semiarid rangelands woody plants plays an important role in soil fertility maintenance, providing food, medicine, cosmetics, fodder, fuel wood and pesticides. A better understanding of the interaction of woody plants on their immediate environment is needed to guide optimum management of native vegetation in the production landscapes. However, the impact of woody plant species on soil properties remains poorly understood. This study evaluates the impact of two dominant woody plant species (A. senegal and B. aegyptica on soil physico-chemical properties along grazing gradients in rangelands of eastern Ethiopia. Six trees of each species were selected from light, moderate and heavy grazing sites.  Soil sample data at two depths (0-15 and 16-30 cm were collected from under and open areas of A. senegal and B. aegyptica from each grazing sites, and analysed for nutrient contents. The nutrient status of soil under both woody species was significantly higher especially with regard to soil organic matter (4.37%, total nitrogen (0.313%, and available phosphorus (11.62 than the open grassland with soil organic matter (3.82%, total nitrogen (0.246%, and available phosphorus (10.94 mg/Kg soil for A. Senegal. The soil organic matter (3.93%, total nitrogen (0.285%, available phosphorus (11.66 mg/Kg soil were significantly higher than open grassland with soil organic matter (3.52%, total nitrogen (0.218%, available phosphorus (10.73 mg/Kg soil for B. aegyptica. This was more pronounced in the top 15 cm of soil under A. senegal woody plant species and on the light and moderate grazing site. Therefore, this tree has a significant effect on soil fertility improvement in resource poor rangelands and as a result, it is important to retain scattered A. senegal and B. aegyptica plants in the lowlands of eastern Ethiopia.

Modeling early physical and chemical events for DNA damage induced by photons and tritium beta particles

Energy Technology Data Exchange (ETDEWEB)

Moiseenko, V [McMaster Univ., Dept. of Physics and Astronomy, Hamilton, Ontario (Canada); Waker, A J [Atomic Energy of Canada Limited, Chalk River, Ontario (Canada); Prestwich, W V [McMaster Univ., Dept. of Physics and Astronomy, Hamilton, Ontario (Canada)

1998-02-01

A method has been developed to model production of single-strand breaks (SSB) and double-strand breaks (DSB) in Deoxyribo Nucleic Acid (DNA) by ionizing radiations. Modeling is carried out by Monte Carlo means and includes consideration of direct energy depositions in DNA molecules, production of chemical species following water radiolysis, diffusion of chemical species, and their interactions with each other and DNA. Computer-generated electron tracks in liquid water are used to model energy deposition and to derive the initial localization of chemical species. Atomistic representation of the DNA with a first hydration shell is used to derive direct energy depositions in DNA molecules and the resulting consequences, and to derive coordinates of reactive sites for modeling of the chemical stage of radiation damage. Diffusion of chemical species is followed in time, and the reactions of species with each other and DNA are considered to occur in an encounter-controlled manner. Time of diffusion follow-up is restricted to 10{sup -12}- 10{sup -9} s, which yields a diffusion length of hydroxyl radicals comparable to that in the cellular environment. DNA SSB are assumed to result from any direct energy depositions in the sugar/phosphate moiety, ionizations in water molecules bound to sugar/phosphate and hydroxyl attacks on deoxyribose. DSB are assumed to result from two SSB on opposite strands separated by 10 or fewer base pairs. Photon radiations in the energy range 70 keV-1 MeV and tritium beta particles are considered. It is shown that for naked DNA in B-form (the configuration thought to be most biologically relevant) the effectiveness of tritium for SSB and DSB production is, within statistical uncertainties, comparable to photon radiation with energies in the range 70 keV-1 MeV, although a tendency for increased DSB production has been observed for 70 keV photons that represent orthovoltage X-rays and for tritium beta particles. It is predicted that hydroxyl

Chemical thermodynamics of iron - Part 1 - Chemical thermodynamics volume 13a

International Nuclear Information System (INIS)

Lemire, Robert J.; Berner, Urs; Musikas, Claude; Palmer, Donald A.; Taylor, Peter; Tochiyama, Osamu; Perrone, Jane

2013-01-01

Volume 13a of the 'Chemical Thermodynamics' (TDB) series, is the first of two volumes describing the selection of chemical thermodynamic data for species of iron. Because of the voluminous information in the literature, it has been more efficient to prepare the review in two (unequal) parts. This larger first part contains assessments of data for the metal, simple ions, aqueous hydroxido, chlorido, sulfido, sulfato and carbonato complexes, and for solid oxides and hydroxides, halides, sulfates, carbonates and simple silicates. The second part will provide assessments of data for other aqueous halido species, sulfide solids, and solid and solution species with nitrate, phosphate and arsenate, as well as some aspects of solid solutions in iron-oxide and iron-sulfide systems. The database system developed at the OECD/NEA Data Bank ensures consistency not only within the recommended data sets of iron, but also among all the data sets published in the series. This volume will be of particular interest to scientists carrying out performance assessments of deep geological disposal sites for radioactive waste

A comparative approach using ecotoxicological methods from single-species bioassays to model ecosystems.

Science.gov (United States)

Haegerbaeumer, Arne; Höss, Sebastian; Ristau, Kai; Claus, Evelyn; Möhlenkamp, Christel; Heininger, Peter; Traunspurger, Walter

2016-12-01

Soft sediments are often hotspots of chemical contamination, and a thorough ecotoxicological assessment of this habitat can help to identify the causes of stress and to improve the health of the respective ecosystems. As an important component of the ecologically relevant meiobenthic fauna, nematodes can be used for sediment assessments, with various assay tools ranging from single-species toxicity tests to field studies. In the present study, microcosms containing sediment were used to investigate direct and indirect effects of zinc on natural nematode assemblages, and acute community toxicity tests considering only direct toxicity were conducted. The responses of the various freshwater nematode species in both approaches were compared with those of Caenorhabditis elegans, determined in standardized tests (ISO 10872). At a median lethal concentration (LC50) of 20 mg Zn/L, C. elegans represented the median susceptibility of 15 examined nematode species examined in the acute community toxicity tests. In the microcosms, Zn affected the nematodes dose-dependently, with changes in species composition first detected at 13 mg Zn/kg to 19 mg Zn/kg sediment dry weight. The observed species sensitivities in the microcosms corresponded better to field observations than to the results of the acute community toxicity tests. Environ Toxicol Chem 2016;35:2987-2997. © 2016 SETAC. © 2016 SETAC.

Fate and effects of anthropogenic chemicals in mangrove ecosystems: A review

Energy Technology Data Exchange (ETDEWEB)

Lewis, Michael, E-mail: lewis.michael@epa.gov [U.S. Environmental Protection Agency, Office of Research and Development, 1 Sabine Island Drive, Gulf Breeze, FL 32561 (United States); Pryor, Rachel; Wilking, Lynn [U.S. Environmental Protection Agency, Office of Research and Development, 1 Sabine Island Drive, Gulf Breeze, FL 32561 (United States)

2011-10-15

The scientific literature for fate and effects of non-nutrient contaminant concentrations is skewed for reports describing sediment contamination and bioaccumulation for trace metals. Concentrations for at least 22 trace metals have been reported in mangrove sediments. Some concentrations exceed sediment quality guidelines suggesting adverse effects. Bioaccumulation results are available for at least 11 trace metals, 12 mangrove tissues, 33 mangrove species and 53 species of mangrove-habitat biota. Results are specific to species, tissues, life stage, and season and accumulated concentrations and bioconcentration factors are usually low. Toxicity tests have been conducted with 12 mangrove species and 8 species of mangrove-related fauna. As many as 39 effect parameters, most sublethal, have been monitored during the usual 3 to 6 month test durations. Generalizations and extrapolations for toxicity between species and chemicals are restricted by data scarcity and lack of experimental consistency. This hinders chemical risk assessments and validation of effects-based criteria. - Chemical risk assessments and resource management are restricted by the limited chemical fate and effects database for mangroves.

Why relevance theory is relevant for lexicography

DEFF Research Database (Denmark)

Bothma, Theo; Tarp, Sven

2014-01-01

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

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.

Identification of different oxygen species in oxide nanostructures with 17O solid-state NMR spectroscopy

Science.gov (United States)

Wang, Meng; Wu, Xin-Ping; Zheng, Sujuan; Zhao, Li; Li, Lei; Shen, Li; Gao, Yuxian; Xue, Nianhua; Guo, Xuefeng; Huang, Weixin; Gan, Zhehong; Blanc, Frédéric; Yu, Zhiwu; Ke, Xiaokang; Ding, Weiping; Gong, Xue-Qing; Grey, Clare P.; Peng, Luming

2015-01-01

Nanostructured oxides find multiple uses in a diverse range of applications including catalysis, energy storage, and environmental management, their higher surface areas, and, in some cases, electronic properties resulting in different physical properties from their bulk counterparts. Developing structure-property relations for these materials requires a determination of surface and subsurface structure. Although microscopy plays a critical role owing to the fact that the volumes sampled by such techniques may not be representative of the whole sample, complementary characterization methods are urgently required. We develop a simple nuclear magnetic resonance (NMR) strategy to detect the first few layers of a nanomaterial, demonstrating the approach with technologically relevant ceria nanoparticles. We show that the 17O resonances arising from the first to third surface layer oxygen ions, hydroxyl sites, and oxygen species near vacancies can be distinguished from the oxygen ions in the bulk, with higher-frequency 17O chemical shifts being observed for the lower coordinated surface sites. H217O can be used to selectively enrich surface sites, allowing only these particular active sites to be monitored in a chemical process. 17O NMR spectra of thermally treated nanosized ceria clearly show how different oxygen species interconvert at elevated temperature. Density functional theory calculations confirm the assignments and reveal a strong dependence of chemical shift on the nature of the surface. These results open up new strategies for characterizing nanostructured oxides and their applications. PMID:26601133

Practical use of chemical probes for reactive oxygen species produced in biological systems by {gamma}-irradiation

Energy Technology Data Exchange (ETDEWEB)

Lee, Min Hee; Moon, Yu Ran; Chung, Byung Yeoup; Kim, Jae-Sung [Radiation Research Division for Bio-technology, Korea Atomic Energy Research Institute, 1266 Sinjeong-dong, Jeongeup-si, Jeollabuk-do 580-185 (Korea, Republic of); Lee, Kang-Soo [Crop Production and Technology Major, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Cho, Jae-Young [Bio-environmental Science Major, Chonbuk National University, Jeonju 561-756 (Korea, Republic of); Kim, Jin-Hong [Radiation Research Division for Bio-technology, Korea Atomic Energy Research Institute, 1266 Sinjeong-dong, Jeongeup-si, Jeollabuk-do 580-185 (Korea, Republic of)], E-mail: jhongkim@kaeri.re.kr

2009-05-15

Application of chemical probes, for detection of reactive oxygen species (ROS), was tested during {gamma}-irradiation. The ethanol/{alpha}-(4-pyridyl-1-oxide)-N-tert-butylnitrone (4-POBN) and 3,3'-diaminobenzidine (DAB) were structurally stable enough to detect {sup {center_dot}}OH and H{sub 2}O{sub 2}, increasingly generated by {gamma}-irradiation up to 1000 Gy. Interestingly, the production rate of H{sub 2}O{sub 2}, but not {sup {center_dot}}OH, during {gamma}-irradiation, was significantly different between in vitro systems of lettuce and spinach. These results suggest that 4-POBN and DAB could be utilized as a semi-quantitative probe to quantify {sup {center_dot}}OH and H{sub 2}O{sub 2}, produced by {gamma}-irradiation up to 1000 Gy.

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

Science.gov (United States)

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

2018-01-01

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

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

Directory of Open Access Journals (Sweden)

Patricio Peralta-Zamora

2005-10-01

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

Apocynin: Chemical and Biophysical Properties of a NADPH Oxidase Inhibitor

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Valdecir F. Ximenes

2013-03-01

Full Text Available Apocynin is the most employed inhibitor of NADPH oxidase (NOX, a multienzymatic complex capable of catalyzing the one-electron reduction of molecular oxygen to the superoxide anion. Despite controversies about its selectivity, apocynin has been used as one of the most promising drugs in experimental models of inflammatory and neurodegenerative diseases. Here, we aimed to study the chemical and biophysical properties of apocynin. The oxidation potential was determined by cyclic voltammetry (Epa = 0.76V, the hydrophobicity index was calculated (logP = 0.83 and the molar absorption coefficient was determined (e275nm = 1.1 × 104 M−1 cm−1. Apocynin was a weak free radical scavenger (as measured using the DPPH, peroxyl radical and nitric oxide assays when compared to protocatechuic acid, used here as a reference antioxidant. On the other hand, apocynin was more effective than protocatechuic acid as scavenger of the non-radical species hypochlorous acid. Apocynin reacted promptly with the non-radical reactive species H2O2 only in the presence of peroxidase. This finding is relevant, since it represents a new pathway for depleting H2O2 in cellular experimental models, besides the direct inhibition of NADPH oxidase. This could be relevant for its application as an inhibitor of NOX4, since this isoform produces H2O2 and not superoxide anion. The binding parameters calculated by fluorescence quenching showed that apocynin binds to human serum albumin (HSA with a binding affinity of 2.19 × 104 M−1. The association did not alter the secondary and tertiary structure of HSA, as verified by synchronous fluorescence and circular dichroism. The displacement of fluorescent probes suggested that apocynin binds to site I and site II of HSA. Considering the current biomedical applications of this phytochemical, the dissemination of these chemical and biophysical properties can be very helpful for scientists and physicians interested in the use of apocynin.

Macroevolutionary chemical escalation in an ancient plant-herbivore arms race.

Science.gov (United States)

Becerra, Judith X; Noge, Koji; Venable, D Lawrence

2009-10-27

A central paradigm in the field of plant-herbivore interactions is that the diversity and complexity of secondary compounds in plants have intensified over evolutionary time, resulting in the great variety of secondary products that currently exists. Unfortunately, testing of this proposal has been very limited. We analyzed the volatile chemistry of 70 species of the tropical plant genus Bursera and used a molecular phylogeny to test whether the species' chemical diversity or complexity have escalated. The results confirm that as new species diverged over time they tended to be armed not only with more compounds/species, but also with compounds that could potentially be more difficult for herbivores to adapt to because they belong to an increasing variety of chemical pathways. Overall chemical diversity in the genus also increased, but not as fast as species diversity, possibly because of allopatric species gaining improved defense with compounds that are new locally, but already in existence elsewhere.

CHEMICAL COMPOSITION, IN VITRO RUMEN FERMENTATION, AND DIGESTIBILITY OF SELECTED BROWSE SPECIES BY BUFFALOES (Bubalus bubalis L. AT A SEMI-DECIDUOUS FOREST IN VENEZUELA

Directory of Open Access Journals (Sweden)

Álvaro José Ojeda

2013-01-01

Full Text Available To determine the chemical composition and nutritive value of selected browse species by buffaloes (Bubalus bubalis L. in a silvopastoral system at a semi-deciduous tropical forest (SDTF, epidermal fragments in fecal samples from 14 males of Murrah breed were evaluated. The animals grazed for 91 days in 85 ha located in Portuguesa State, Venezuela, of which 35 ha corresponded to natural grass pastures (969.3 ± 28.6 kg DM ha-1, and the rest to SDTF with 463 plant ha-1. Eleven botanical families and 22 species were identified, 40.9% belonged to the Fabaceae family. The specie Guazuma ulmifolia (Sterculiaceae had the highest relative dominancy (60.4% and an Importance Value Index of 162.6. 60.4% of epidermal fragments corresponded to herbaceous Poaceae, and the rest was distributed among five different species, with the highest occurrence (94.6% for Samanea saman and Sida acuta. There were differences (P

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

Science.gov (United States)

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

2013-10-11

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

Air corona discharge chemical kinetics

International Nuclear Information System (INIS)

Kline, L.E.; Kanter, I.E.

1984-01-01

We have theoretically studied the initial chemical processing steps which occur in pulseless, negative, dc corona discharges in flowing air. A rate equation model is used because these discharges consist of a very small ionization zone near the pin with most of the pin-plane gap filled by a drift zone where both the electric field and the electron density are relatively uniform. The primary activated species are N 2 (A),O and O 2 (a 1 Δ). The predicted activated species density due to one discharge is 100 ppm per ms . mA cm 2 assuming E/n=60 Td. In pure, dry air the final product due to these activated species is primarily O 3 . The NO /sub x/ production is about 0.5 ppm per mA. In moist air there is an additional production of about 1.5 ppm per mA of HO /sub x/ species. The predicted ozone formation reactions will be ''intercepted'' when impurities are present in the air. Impurities present at densities below about 0.1% will react primarily with the activated species rather than with electrons. Hence the predicted activated species density provides an estimate of the potential chemical processing performance of the discharge

Triplet excited States as a source of relevant (bio)chemical information.

Science.gov (United States)

Jiménez, M Consuelo; Miranda, Miguel A

2014-01-01

The properties of triplet excited states are markedly medium-dependent, which turns this species into valuable tools for investigating the microenvironments existing in protein binding pockets. Monitoring of the triplet excited state behavior of drugs within transport proteins (serum albumins and α1-acid glycoproteins) by laser flash photolysis constitutes a valuable source of information on the strength of interaction, conformational freedom and protection from oxygen or other external quenchers. With proteins, formation of spatially confined triplet excited states is favored over competitive processes affording ionic species. Remarkably, under aerobic atmosphere, the triplet decay of drug@protein complexes is dramatically longer than in bulk solution. This offers a convenient dynamic range for assignment of different triplet populations or for stereochemical discrimination. In this review, selected examples of the application of the laser flash photolysis technique are described, including drug distribution between the bulk solution and the protein cavities, or between two types of proteins, detection of drug-drug interactions inside proteins, and enzyme-like activity processes mediated by proteins. Finally, protein encapsulation can also modify the photoreactivity of the guest. This is illustrated by presenting an example of retarded photooxidation.

Native species that can replace exotic species in landscaping

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Elisabeth Regina Tempel Stumpf

2015-08-01

Full Text Available Beyond aesthetics, the contemporary landscaping intends to provide other benefits for humans and environment, especially related to the environmental quality of urban spaces and conservation of the species. A trend in this direction is the reduction in the use of exotic plants in their designs, since, over time, they can become agents of replacement of native flora, as it has occurred in Rio Grande do Sul with many species introduced by settlers. However, the use of exotic species is unjustifiable, because the flora diversity of the Bioma Pampa offers many native species with appropriate features to the ornamental use. The commercial cultivation and the implantation of native species in landscaped areas constitute innovations for plant nurseries and landscapers and can provide a positive reduction in extractivism, contributing to dissemination, exploitation and preservation of native flora, and also decrease the impact of chemical products on environment. So, this work intends to identify native species of Bioma Pampa with features and uses similar to the most used exotic species at Brazilian landscaping. The species were selected from consulting books about native plants of Bioma Pampa and plants used at Brazilian landscaping, considering the similarity on habit and architecture, as well as characteristics of leafs, flowers and/or fruits and environmental conditions of occurrence and cultivation. There were identified 34 native species able to properly replace exotic species commonly used. The results show that many native species of Bioma Pampa have interesting ornamental features to landscape gardening, allowing them to replace exotic species that are traditionally cultivated.

Gene expression responses of HeLa cells to chemical species generated by an atmospheric plasma flow

International Nuclear Information System (INIS)

Yokoyama, Mayo; Johkura, Kohei; Sato, Takehiko

2014-01-01

Highlights: • Response of HeLa cells to a plasma-irradiated medium was revealed by DNA microarray. • Gene expression pattern was basically different from that in a H 2 O 2 -added medium. • Prominently up-/down-regulated genes were partly shared by the two media. • Gene ontology analysis showed both similar and different responses in the two media. • Candidate genes involved in response to ROS were detected in each medium. - Abstract: Plasma irradiation generates many factors able to affect the cellular condition, and this feature has been studied for its application in the field of medicine. We previously reported that hydrogen peroxide (H 2 O 2 ) was the major cause of HeLa cell death among the chemical species generated by high level irradiation of a culture medium by atmospheric plasma. To assess the effect of plasma-induced factors on the response of live cells, HeLa cells were exposed to a medium irradiated by a non-lethal plasma flow level, and their gene expression was broadly analyzed by DNA microarray in comparison with that in a corresponding concentration of 51 μM H 2 O 2 . As a result, though the cell viability was sufficiently maintained at more than 90% in both cases, the plasma-medium had a greater impact on it than the H 2 O 2 -medium. Hierarchical clustering analysis revealed fundamentally different cellular responses between these two media. A larger population of genes was upregulated in the plasma-medium, whereas genes were downregulated in the H 2 O 2 -medium. However, a part of the genes that showed prominent differential expression was shared by them, including an immediate early gene ID2. In gene ontology analysis of upregulated genes, the plasma-medium showed more diverse ontologies than the H 2 O 2 -medium, whereas ontologies such as “response to stimulus” were common, and several genes corresponded to “response to reactive oxygen species.” Genes of AP-1 proteins, e.g., JUN and FOS, were detected and notably elevated in

Gene expression responses of HeLa cells to chemical species generated by an atmospheric plasma flow

Energy Technology Data Exchange (ETDEWEB)

Yokoyama, Mayo, E-mail: yokoyama@plasma.ifs.tohoku.ac.jp [Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan); Johkura, Kohei, E-mail: kohei@shinshu-u.ac.jp [Department of Histology and Embryology, Shinshu University School of Medicine, 3-1-1 Asahi, Matsumoto 390-8621 (Japan); Sato, Takehiko, E-mail: sato@ifs.tohoku.ac.jp [Institute of Fluid Science, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

2014-08-08

Highlights: • Response of HeLa cells to a plasma-irradiated medium was revealed by DNA microarray. • Gene expression pattern was basically different from that in a H{sub 2}O{sub 2}-added medium. • Prominently up-/down-regulated genes were partly shared by the two media. • Gene ontology analysis showed both similar and different responses in the two media. • Candidate genes involved in response to ROS were detected in each medium. - Abstract: Plasma irradiation generates many factors able to affect the cellular condition, and this feature has been studied for its application in the field of medicine. We previously reported that hydrogen peroxide (H{sub 2}O{sub 2}) was the major cause of HeLa cell death among the chemical species generated by high level irradiation of a culture medium by atmospheric plasma. To assess the effect of plasma-induced factors on the response of live cells, HeLa cells were exposed to a medium irradiated by a non-lethal plasma flow level, and their gene expression was broadly analyzed by DNA microarray in comparison with that in a corresponding concentration of 51 μM H{sub 2}O{sub 2}. As a result, though the cell viability was sufficiently maintained at more than 90% in both cases, the plasma-medium had a greater impact on it than the H{sub 2}O{sub 2}-medium. Hierarchical clustering analysis revealed fundamentally different cellular responses between these two media. A larger population of genes was upregulated in the plasma-medium, whereas genes were downregulated in the H{sub 2}O{sub 2}-medium. However, a part of the genes that showed prominent differential expression was shared by them, including an immediate early gene ID2. In gene ontology analysis of upregulated genes, the plasma-medium showed more diverse ontologies than the H{sub 2}O{sub 2}-medium, whereas ontologies such as “response to stimulus” were common, and several genes corresponded to “response to reactive oxygen species.” Genes of AP-1 proteins, e.g., JUN

Chemical equilibration of antihyperons

International Nuclear Information System (INIS)

Greiner, C.

2002-01-01

Rapid chemical equilibration of antihyperons by means of the interplay between strong annihilation on baryons and the corresponding backreactions of multi-mesonic (fusion-type) processes in the later, hadronic stage of an ultrarelativistic heavy ion collision will be discussed. Explicit rate calculations for a dynamical setup are presented. At maximum SPS energies yields of each antihyperon specie are obtained which are consistent with chemical saturated populations of T∼150-160 MeV. The proposed picture supports dynamically the popular chemical freeze-out parameters extracted within thermal models. (orig.)

Chemical Analysis and Biological Activity of the Essential Oils of Two Endemic Soqotri Commiphora Species

Directory of Open Access Journals (Sweden)

Wulf Schultze

2010-02-01

Full Text Available The barks of two endemic Commiphora species namely, Commiphora ornifolia (Balf.f. Gillett and Commiphora parvifolia Engl., were collected from Soqotra Island in Yemen and their essential oils were obtained by hydrodistillation. The chemical composition of both oils was investigated by GC and GC-MS. Moreover, the essential oils were evaluated for their antimicrobial activity against two Gram-positive bacteria, two Gram-negative bacteria and one yeast species by using a broth micro-dilution assay for minimum inhibitory concentrations (MIC and for their antioxidant activity by measuring the DPPH radical scavenging activity. A total of 45 constituents of C. ornifolia (85.6% and 44 constituents of C. parvifolia (87.1% were identified. The oil of C. ornifolia was characterized by a high content of oxygenated monoterpenes (56.3%, of which camphor (27.3%, α-fenchol (15.5%, fenchone (4.4% and borneol (2.9% were identified as the main components. High contents of oxygenated sesquiterpenes (36.1% and aliphatic acids (22.8% were found in C. parvifolia oil, in which caryophyllene oxide (14.2%, β-eudesmol (7.7%, bulnesol (5.7%, T-cadinol (3.7% and hexadecanoic acid (18.4% predominated. The results of the antimicrobial assay showed that both oils exhibited moderate to high antibacterial activity especially against Gram-positive bacteria. C. ornifolia oil was the most active. In addition, the DPPH-radical scavenging assay exhibited only weak antioxidant activities for both oils at the high concentration tested.

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

Science.gov (United States)

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

2008-01-01

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

Mixture toxicity of PBT-like chemicals

DEFF Research Database (Denmark)

Syberg, Kristian; Dai, Lina; Ramskov, Tina

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

Thinking beyond the Common Candida Species: Need for Species-Level Identification of Candida Due to the Emergence of Multidrug-Resistant Candida auris.

Science.gov (United States)

Lockhart, Shawn R; Jackson, Brendan R; Vallabhaneni, Snigdha; Ostrosky-Zeichner, Luis; Pappas, Peter G; Chiller, Tom

2017-12-01

Candida species are one of the leading causes of nosocomial infections. Because much of the treatment for Candida infections is empirical, some institutions do not identify Candida to species level. With the worldwide emergence of the multidrug-resistant species Candida auris , identification of Candida to species level has new clinical relevance. Species should be identified for invasive candidiasis isolates, and species-level identification can be considered for selected noninvasive isolates to improve detection of C. auris . Copyright © 2017 American Society for Microbiology.

Tracking of Nuclear Production using Indigenous Species: Final LDRD Report

International Nuclear Information System (INIS)

Alam, Todd Michael; Alam, Mary Kathleen; McIntyre, Sarah K.; Volk, David; Neerathilingam, Muniasamy; Luxon, Bruce A.; Ansari, G. A. Shakeel

2009-01-01

Our LDRD research project sought to develop an analytical method for detection of chemicals used in nuclear materials processing. Our approach is distinctly different than current research involving hardware-based sensors. By utilizing the response of indigenous species of plants and/or animals surrounding (or within) a nuclear processing facility, we propose tracking 'suspicious molecules' relevant to nuclear materials processing. As proof of concept, we have examined TBP, tributylphosphate, used in uranium enrichment as well as plutonium extraction from spent nuclear fuels. We will compare TBP to the TPP (triphenylphosphate) analog to determine the uniqueness of the metabonomic response. We show that there is a unique metabonomic response within our animal model to TBP. The TBP signature can further be delineated from that of TPP. We have also developed unique methods of instrumental transfer for metabonomic data sets.

Tracking of Nuclear Production using Indigenous Species: Final LDRD Report

Energy Technology Data Exchange (ETDEWEB)

Alam, Todd Michael [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Electronic and Nanostructured Materials; Alam, Mary Kathleen [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Energetics Characterization Dept.; McIntyre, Sarah K. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Dept. of Electronic and Nanostructured Materials; Volk, David [Univ. of Texas, Galveston, TX (United States). Medical Branch; Neerathilingam, Muniasamy [Univ. of Texas, Galveston, TX (United States). Medical Branch; Luxon, Bruce A. [Univ. of Texas, Galveston, TX (United States). Medical Branch; Ansari, G. A. Shakeel [Univ. of Texas, Galveston, TX (United States). Medical Branch

2009-10-01

Our LDRD research project sought to develop an analytical method for detection of chemicals used in nuclear materials processing. Our approach is distinctly different than current research involving hardware-based sensors. By utilizing the response of indigenous species of plants and/or animals surrounding (or within) a nuclear processing facility, we propose tracking 'suspicious molecules' relevant to nuclear materials processing. As proof of concept, we have examined TBP, tributylphosphate, used in uranium enrichment as well as plutonium extraction from spent nuclear fuels. We will compare TBP to the TPP (triphenylphosphate) analog to determine the uniqueness of the metabonomic response. We show that there is a unique metabonomic response within our animal model to TBP. The TBP signature can further be delineated from that of TPP. We have also developed unique methods of instrumental transfer for metabonomic data sets.

Environmentally relevant approaches to assess nanoparticles ecotoxicity: A review

Energy Technology Data Exchange (ETDEWEB)

Bour, Agathe; Mouchet, Florence; Silvestre, Jérôme; Gauthier, Laury [Université de Toulouse (France); UPS, INP (France); EcoLab (Laboratoire d’écologie fonctionnelle et environnement) (France); ENSAT, Avenue de l’Agrobiopôle, F-31326 Castanet-Tolosan (France); CNRS (France); EcoLab (Laboratoire d’écologie fonctionnelle et environnement), F-31326 Castanet-Tolosan (France); Pinelli, Eric, E-mail: pinelli@ensat.fr [Université de Toulouse (France); UPS, INP (France); EcoLab (Laboratoire d’écologie fonctionnelle et environnement) (France); ENSAT, Avenue de l’Agrobiopôle, F-31326 Castanet-Tolosan (France); CNRS (France); EcoLab (Laboratoire d’écologie fonctionnelle et environnement), F-31326 Castanet-Tolosan (France)

2015-02-11

Highlights: • Integrated ecotoxicity of NPs from organism to community level is reviewed. • Trophic chains allow determining the implication of trophic route in NP toxicity. • The use of microcosms and mesocosms allows studies at larger scale. • Data concerning NP fate and effects in environmental conditions are lacking. - Abstract: Despite the increasing production and use of nanoparticles (NPs), there is a lack of knowledge about their environmental fate and ecotoxicity. Studies in environmentally relevant conditions are necessary to better assess these parameters, but such studies are rather rare. The present work represents first time that studies on engineered NPs using environmentally relevant exposure methods have been reviewed. These exposure methods differ from standardized protocols and can be classified into three groups: experimental trophic chains that allow study of the trophic route, multi-species exposures under laboratory conditions that allow for complex but controlled exposure and outdoor exposures that are more similar to environmentally realistic conditions. The majority of studies of micro- or mesocosms have focused on NP partitioning and bioaccumulation. The other major parameter that has been studied is NP ecotoxicity, which has been assessed in single species, in single species via the trophic route, and at the community level. The induction of biochemical defense systems, immunomodulation, effects on growth and reproduction, behavioral alterations and mortality have been used as indicators of major toxicity, depending on the species studied. The major effects of NPs on both microbial and algal communities include modifications of community compositions and diversities, decreased biomass and changes in community activities.

Environmentally relevant approaches to assess nanoparticles ecotoxicity: A review

International Nuclear Information System (INIS)

Bour, Agathe; Mouchet, Florence; Silvestre, Jérôme; Gauthier, Laury; Pinelli, Eric

2015-01-01

Highlights: • Integrated ecotoxicity of NPs from organism to community level is reviewed. • Trophic chains allow determining the implication of trophic route in NP toxicity. • The use of microcosms and mesocosms allows studies at larger scale. • Data concerning NP fate and effects in environmental conditions are lacking. - Abstract: Despite the increasing production and use of nanoparticles (NPs), there is a lack of knowledge about their environmental fate and ecotoxicity. Studies in environmentally relevant conditions are necessary to better assess these parameters, but such studies are rather rare. The present work represents first time that studies on engineered NPs using environmentally relevant exposure methods have been reviewed. These exposure methods differ from standardized protocols and can be classified into three groups: experimental trophic chains that allow study of the trophic route, multi-species exposures under laboratory conditions that allow for complex but controlled exposure and outdoor exposures that are more similar to environmentally realistic conditions. The majority of studies of micro- or mesocosms have focused on NP partitioning and bioaccumulation. The other major parameter that has been studied is NP ecotoxicity, which has been assessed in single species, in single species via the trophic route, and at the community level. The induction of biochemical defense systems, immunomodulation, effects on growth and reproduction, behavioral alterations and mortality have been used as indicators of major toxicity, depending on the species studied. The major effects of NPs on both microbial and algal communities include modifications of community compositions and diversities, decreased biomass and changes in community activities

Triplet Excited States as a Source of Relevant (Bio)Chemical Information

OpenAIRE

Jiménez Molero, María Consuelo; Miranda Alonso, Miguel Ángel

2014-01-01

The properties of triplet excited states are markedly medium-dependent, which turns this species into valuable tools for investigating the microenvironments existing in protein binding pockets. Monitoring of the triplet excited state behavior of drugs within transport proteins (serum albumins and alpha(1)-acid glycoproteins) by laser flash photolysis constitutes a valuable source of information on the strength of interaction, conformational freedom and protection from oxygen or other external...

Species Typing in Dermal Leishmaniasis

Science.gov (United States)

Dujardin, Jean-Claude

2015-01-01

SUMMARY Leishmania is an infectious protozoan parasite related to African and American trypanosomes. All Leishmania species that are pathogenic to humans can cause dermal disease. When one is confronted with cutaneous leishmaniasis, identification of the causative species is relevant in both clinical and epidemiological studies, case management, and control. This review gives an overview of the currently existing and most used assays for species discrimination, with a critical appraisal of the limitations of each technique. The consensus taxonomy for the genus is outlined, including debatable species designations. Finally, a numerical literature analysis is presented that describes which methods are most used in various countries and regions in the world, and for which purposes. PMID:25672782

Chemical Composition, Nitrogen Fractions and Amino Acids Profile of Milk from Different Animal Species

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Saima Rafiq

2016-07-01

Full Text Available Milk composition is an imperative aspect which influences the quality of dairy products. The objective of study was to compare the chemical composition, nitrogen fractions and amino acids profile of milk from buffalo, cow, sheep, goat, and camel. Sheep milk was found to be highest in fat (6.82%±0.04%, solid-not-fat (11.24%±0.02%, total solids (18.05%±0.05%, protein (5.15%±0.06% and casein (3.87%±0.04% contents followed by buffalo milk. Maximum whey proteins were observed in camel milk (0.80%±0.03%, buffalo (0.68%±0.02% and sheep (0.66%±0.02% milk. The non-protein-nitrogen contents varied from 0.33% to 0.62% among different milk species. The highest r-values were recorded for correlations between crude protein and casein in buffalo (r = 0.82, cow (r = 0.88, sheep (r = 0.86 and goat milk (r = 0.98. The caseins and whey proteins were also positively correlated with true proteins in all milk species. A favorable balance of branched-chain amino acids; leucine, isoleucine, and valine were found both in casein and whey proteins. Leucine content was highest in cow (108±2.3 mg/g, camel (96±2.2 mg/g and buffalo (90±2.4 mg/g milk caseins. Maximum concentrations of isoleucine, phenylalanine, and histidine were noticed in goat milk caseins. Glutamic acid and proline were dominant among non-essential amino acids. Conclusively, current exploration is important for milk processors to design nutritious and consistent quality end products.

The raison d'être of chemical ecology.

Science.gov (United States)

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

2015-03-01

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

Chemical Composition and Acetylcholinesterase Inhibitory Activity of Essential Oils from Piper Species.

Science.gov (United States)

Xiang, Cai-Peng; Han, Jia-Xin; Li, Xing-Cong; Li, Yun-Hui; Zhang, Yi; Chen, Lin; Qu, Yan; Hao, Chao-Yun; Li, Hai-Zhou; Yang, Chong-Ren; Zhao, San-Jun; Xu, Min

2017-05-10

The essential oils (EOs) derived from aromatic plants such as Piper species are considered to play a role in alleviating neuronal ailments that are associated with inhibition of acetylcholinesterase (AChE). The chemical compositions of 23 EOs prepared from 16 Piper spp. were analyzed by both gas chromatography with a flame ionization detector (GC-FID) and gas chromatography-mass spectrometry (GC-MS). A total of 76 compounds were identified in the EOs from the leaves and stems of 19 samples, while 30 compounds were detected in the EOs from the fruits of four samples. Sesquiterpenes and phenylpropanoids were found to be rich in these EOs, of which asaricin, caryophyllene, caryophyllene oxide, isospathulenol, (+)-spathulenol, and β-bisabolene are the major constituents. The EOs from the leaves and stems of Piper austrosinense, P. puberulum, P. flaviflorum, P. betle, and P. hispidimervium showed strong AChE inhibitory activity with IC 50 values in the range of 1.51 to 13.9 mg/mL. A thin-layer chromatography (TLC) bioautography assay was employed to identify active compound(s) in the most active EO from P. hispidimervium. The active compound was isolated and identified as asaricin, which gave an IC 50 value of 0.44 ± 0.02 mg/mL against AChE, comparable to galantamine with an IC 50 0.15 ± 0.01 mg/mL.

Essential Oils from Leaves of Medicinal Plants of Brazilian Flora: Chemical Composition and Activity against Candida Species

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Maria da Conceição Mendes Ferreira da Costa

2017-05-01

Full Text Available Background: The biotechnological potential of medicinal plants from Brazilian Caatinga and the Atlantic Forest has not been extensively studied. Thus, screening programs are important in prospecting for compounds for developing new drugs. The purpose of this study was to determine the chemical composition and to evaluate the anti-Candida activity of essential oils from leaves of Hymenaea courbaril var. courbaril, Myroxylon peruiferum, and Vismia guianensis. Methods: The oils were extracted through hydrodistillation and their chemical compositions were analyzed by gas chromatography coupled with mass spectrometry. Antifungal activity against C. albicans, C. tropicalis, C. parapsilosis, C. glabrata, and C. krusei was evaluated by determining the minimal inhibitory (MIC and fungicidal (MFC concentrations. Results: The major compounds of the oils were caryophyllene oxide and trans-caryophyllene for H. courbaril; spathulenol, α-pinene, and caryophyllene oxide for M. peruiferum; and caryophyllene oxide and humulene epoxide II for V. guianensis oil. The oils showed antifungal activity against all the strains tested, and the MIC values ranged between 0.625 and 1.25 μL/mL and MFC from 0.625 to 2.5 μL/mL. Conclusion: The essential oils from the species studied have the potential to be evaluated as clinical applications in the treatment of candidiasis.

Report on the Medicinal Use of Eleven Lamiaceae Species in Lebanon and Rationalization of Their Antimicrobial Potential by Examination of the Chemical Composition and Antimicrobial Activity of Their Essential Oils.

Science.gov (United States)

Khoury, Madona; Stien, Didier; Eparvier, Véronique; Ouaini, Naïm; El Beyrouthy, Marc

2016-01-01

Many Lamiaceae species are consumed in the Lebanese cuisine as food or condiment and are largely used in the traditional medicine of Lebanon to treat various diseases, including microbial infections. In this article we report the traditional medicinal uses of eleven Lamiaceae species: Coridothymus capitatus L., Lavandula stoechas L., Lavandula angustifolia Mill., Mentha spicata L. subsp. condensata , Origanum syriacum L., Rosmarinus officinalis , Salvia fruticosa Miller., Satureja cuneifolia Ten., Satureja thymbra L., Thymbra spicata L., and Vitex agnus-castus L. and study the chemical composition and antimicrobial activity of their essential oils (EOs). Our survey showed that Lamiaceae species are mainly used against gastrointestinal disorders and microbial infections. Chemical analysis of the EOs obtained from these plants allowed us to identify seventy-five compounds describing more than 90% of the relative composition of each EO. Essential oils with high amounts of thymol and carvacrol possessed the strongest antimicrobial activity. As expected, these two compounds demonstrated an interesting antifungal efficacy against the filamentous fungus T. rubrum . Our results confirmed that some of the Lamiaceae species used in Lebanon ethnopharmacological practices as antimicrobial agents do possess antibacterial and antifungal potential consistent with their use in alternative or complementary medicine.

Report on the Medicinal Use of Eleven Lamiaceae Species in Lebanon and Rationalization of Their Antimicrobial Potential by Examination of the Chemical Composition and Antimicrobial Activity of Their Essential Oils

Directory of Open Access Journals (Sweden)

Madona Khoury

2016-01-01

Full Text Available Many Lamiaceae species are consumed in the Lebanese cuisine as food or condiment and are largely used in the traditional medicine of Lebanon to treat various diseases, including microbial infections. In this article we report the traditional medicinal uses of eleven Lamiaceae species: Coridothymus capitatus L., Lavandula stoechas L., Lavandula angustifolia Mill., Mentha spicata L. subsp. condensata, Origanum syriacum L., Rosmarinus officinalis, Salvia fruticosa Miller., Satureja cuneifolia Ten., Satureja thymbra L., Thymbra spicata L., and Vitex agnus-castus L. and study the chemical composition and antimicrobial activity of their essential oils (EOs. Our survey showed that Lamiaceae species are mainly used against gastrointestinal disorders and microbial infections. Chemical analysis of the EOs obtained from these plants allowed us to identify seventy-five compounds describing more than 90% of the relative composition of each EO. Essential oils with high amounts of thymol and carvacrol possessed the strongest antimicrobial activity. As expected, these two compounds demonstrated an interesting antifungal efficacy against the filamentous fungus T. rubrum. Our results confirmed that some of the Lamiaceae species used in Lebanon ethnopharmacological practices as antimicrobial agents do possess antibacterial and antifungal potential consistent with their use in alternative or complementary medicine.

Report on the Medicinal Use of Eleven Lamiaceae Species in Lebanon and Rationalization of Their Antimicrobial Potential by Examination of the Chemical Composition and Antimicrobial Activity of Their Essential Oils

Science.gov (United States)

Khoury, Madona; Eparvier, Véronique; Ouaini, Naïm

2016-01-01

Many Lamiaceae species are consumed in the Lebanese cuisine as food or condiment and are largely used in the traditional medicine of Lebanon to treat various diseases, including microbial infections. In this article we report the traditional medicinal uses of eleven Lamiaceae species: Coridothymus capitatus L., Lavandula stoechas L., Lavandula angustifolia Mill., Mentha spicata L. subsp. condensata, Origanum syriacum L., Rosmarinus officinalis, Salvia fruticosa Miller., Satureja cuneifolia Ten., Satureja thymbra L., Thymbra spicata L., and Vitex agnus-castus L. and study the chemical composition and antimicrobial activity of their essential oils (EOs). Our survey showed that Lamiaceae species are mainly used against gastrointestinal disorders and microbial infections. Chemical analysis of the EOs obtained from these plants allowed us to identify seventy-five compounds describing more than 90% of the relative composition of each EO. Essential oils with high amounts of thymol and carvacrol possessed the strongest antimicrobial activity. As expected, these two compounds demonstrated an interesting antifungal efficacy against the filamentous fungus T. rubrum. Our results confirmed that some of the Lamiaceae species used in Lebanon ethnopharmacological practices as antimicrobial agents do possess antibacterial and antifungal potential consistent with their use in alternative or complementary medicine. PMID:28053641

Remarks on the Species of Gomphrena (Amaranthaceae of Taiwan

Directory of Open Access Journals (Sweden)

Shih-Huei Chen

2012-09-01

Full Text Available Gomphrena serrata, an Amaranthaceous species of tropical origin, was recently found naturalized in disturbed sites of Taiwan. This species has been confused with G. celosioides, widespread on this island. The present study gives a key and useful characters to differentiate the present species from the latter. A taxonomic treatment of the two species in Taiwan, line drawings and other relevant information are provided.

Electronic, structural and chemical effects of charge-transfer at organic/inorganic interfaces

Science.gov (United States)

Otero, R.; Vázquez de Parga, A. L.; Gallego, J. M.

2017-07-01

During the last decade, interest on the growth and self-assembly of organic molecular species on solid surfaces spread over the scientific community, largely motivated by the promise of cheap, flexible and tunable organic electronic and optoelectronic devices. These efforts lead to important advances in our understanding of the nature and strength of the non-bonding intermolecular interactions that control the assembly of the organic building blocks on solid surfaces, which have been recently reviewed in a number of excellent papers. To a large extent, such studies were possible because of a smart choice of model substrate-adsorbate systems where the molecule-substrate interactions were purposefully kept low, so that most of the observed supramolecular structures could be understood simply by considering intermolecular interactions, keeping the role of the surface always relatively small (although not completely negligible). On the other hand, the systems which are more relevant for the development of organic electronic devices include molecular species which are electron donors, acceptors or blends of donors and acceptors. Adsorption of such organic species on solid surfaces is bound to be accompanied by charge-transfer processes between the substrate and the adsorbates, and the physical and chemical properties of the molecules cannot be expected any longer to be the same as in solution phase. In recent years, a number of groups around the world have started tackling the problem of the adsorption, self- assembly and electronic and chemical properties of organic species which interact rather strongly with the surface, and for which charge-transfer must be considered. The picture that is emerging shows that charge transfer can lead to a plethora of new phenomena, from the development of delocalized band-like electron states at molecular overlayers, to the existence of new substrate-mediated intermolecular interactions or the strong modification of the chemical

Evidence for chemical interference effect of an allelopathic plant on neighboring plant species: A field study.

Directory of Open Access Journals (Sweden)

Antonio I Arroyo

Full Text Available Many studies have reported the phytotoxicity of allelopathic compounds under controlled conditions. However, more field studies are required to provide realistic evidences for the significance of allelopathic interference in natural communities. We conducted a 2-years field experiment in a semiarid plant community (NE Spain. Specifically, we planted juvenile individuals and sowed seeds of Salsola vermiculata L., Lygeum spartum L. and Artemisia herba-alba Asso. (three co-dominant species in the community beneath adult individuals of the allelopathic shrub A. herba-alba, and assessed the growth, vitality, seed germination and seedling survival of those target species with and without the presence of chemical interference by the incorporation of activated carbon (AC to the soil. In addition, juveniles and seeds of the same three target species were planted and sown beneath the canopy of adults of S. vermiculata (a shrub similar to A. herba-alba, but non-allelopathic and in open bare soil to evaluate whether the allelopathic activity of A. herba-alba modulates the net outcome of its interactions with neighboring plants under contrasting abiotic stress conditions. We found that vitality of A. herba-alba juveniles was enhanced beneath A. herba-alba individuals when AC was present. Furthermore, we found that the interaction outcome in A. herba-alba microsite was neutral, whereas a positive outcome was found for S. vermiculata microsite, suggesting that allelopathy may limit the potential facilitative effects of the enhanced microclimatic conditions in A. herba-alba microsite. Yet, L. spartum juveniles were facilitated in A. herba-alba microsite. The interaction outcome in A. herba-alba microsite was positive under conditions of very high abiotic stress, indicating that facilitative interactions predominated over the interference of allelopathic plants under those conditions. These results highlight that laboratory studies can overestimate the

Evidence for chemical interference effect of an allelopathic plant on neighboring plant species: A field study.

Science.gov (United States)

Arroyo, Antonio I; Pueyo, Yolanda; Giner, M Luz; Foronda, Ana; Sanchez-Navarrete, Pedro; Saiz, Hugo; Alados, Concepción L

2018-01-01

Many studies have reported the phytotoxicity of allelopathic compounds under controlled conditions. However, more field studies are required to provide realistic evidences for the significance of allelopathic interference in natural communities. We conducted a 2-years field experiment in a semiarid plant community (NE Spain). Specifically, we planted juvenile individuals and sowed seeds of Salsola vermiculata L., Lygeum spartum L. and Artemisia herba-alba Asso. (three co-dominant species in the community) beneath adult individuals of the allelopathic shrub A. herba-alba, and assessed the growth, vitality, seed germination and seedling survival of those target species with and without the presence of chemical interference by the incorporation of activated carbon (AC) to the soil. In addition, juveniles and seeds of the same three target species were planted and sown beneath the canopy of adults of S. vermiculata (a shrub similar to A. herba-alba, but non-allelopathic) and in open bare soil to evaluate whether the allelopathic activity of A. herba-alba modulates the net outcome of its interactions with neighboring plants under contrasting abiotic stress conditions. We found that vitality of A. herba-alba juveniles was enhanced beneath A. herba-alba individuals when AC was present. Furthermore, we found that the interaction outcome in A. herba-alba microsite was neutral, whereas a positive outcome was found for S. vermiculata microsite, suggesting that allelopathy may limit the potential facilitative effects of the enhanced microclimatic conditions in A. herba-alba microsite. Yet, L. spartum juveniles were facilitated in A. herba-alba microsite. The interaction outcome in A. herba-alba microsite was positive under conditions of very high abiotic stress, indicating that facilitative interactions predominated over the interference of allelopathic plants under those conditions. These results highlight that laboratory studies can overestimate the significance of

Plant antiherbivore defenses in Fabaceae species of the Chaco.

Science.gov (United States)

Lima, T E; Sartori, A L B; Rodrigues, M L M

2017-01-01

The establishment and maintenance of plant species in the Chaco, one of the widest continuous areas of forests in the South American with sharp climatic variations, are possibly related to biological features favoring plants with particular defenses. This study assesses the physical and chemical defenses mechanisms against herbivores of vegetative and reproductive organs. Its analyses of 12 species of Fabaceae (Leguminosae) collected in remnants of Brazilian Chaco shows that 75% present structural defense characters and 50% have chemical defense - defense proteins in their seeds, like protease inhibitors and lectins. Physical defenses occur mainly on branches (78% of the species), leaves (67%), and reproductive organs (56%). The most common physical characters are trichomes and thorns, whose color represents a cryptic character since it does not contrast with the other plant structures. Defense proteins occur in different concentrations and molecular weight classes in the seeds of most species. Protease inhibitors are reported for the first time in seeds of: Albizia niopoides, Anadenanthera colubrina, Mimosa glutinosa, Prosopis rubriflora, and Poincianella pluviosa. The occurrence of physical and chemical defenses in members of Fabaceae indicate no associations between defense characters in these plant species of the Chaco.

Influence of reactions heats on variation of radius, temperature, pressure and chemical species amounts within a single acoustic cavitation bubble.

Science.gov (United States)

Kerboua, Kaouther; Hamdaoui, Oualid

2018-03-01

The scientific interest toward the study of acoustic bubble is mainly explained by its practical benefit in providing a reactional media favorable to the rapid evolution of chemical mechanism. The evolution of this mechanism is related to the simultaneous and dependent variation of the volume, temperature and pressure within the bubble, retrieved by the resolution of a differential equations system, including among others the thermal balance. This last one is subject to different assumptions, some authors deem simply that the temperature varies adiabatically during the collapsing phase, without considering the reactions heat of the studied mechanism. This paper aims to evaluate the pertinence of neglecting reactions heats in the thermal balance, by analyzing their effect on the variation of radius, temperature, pressure and chemical species amounts. The results show that the introduction of reactions heats conducts to a decrease of the temperature, an increase of the pressure and a reduction of the bubble volume. As a consequence, this leads to a drop of the quantities of free radicals produced by the chemical mechanism evolving within the bubble. This paper also proved that the impact of the consideration of reactions heats is dependent of the frequency and the acoustic amplitude of the ultrasonic wave. Copyright © 2017 Elsevier B.V. All rights reserved.

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

Data.gov (United States)

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

Auto-digital gain balancing: a new detection scheme for high-speed chemical species tomography of minor constituents

International Nuclear Information System (INIS)

Pal, Sandip; McCann, Hugh

2011-01-01

In many dynamic gas-phase reaction processes, there is great interest to measure the distribution of minor constituents, i.e. −3 by volume (1000 ppm). One such case is the after-treatment of automotive gasoline engine exhaust by catalytic conversion, where a characteristic challenge is to image the distribution of 10 ppm (average) of carbon monoxide (CO) at 1000 frames per second across a 50 mm diameter exhaust pipe; this particular problem has been pursued as a case study. In this paper, we present a novel electronic scheme that achieves the required measurement of around 10 −3 absorption with 10 −4 precision at kHz bandwidth. This was not previously achievable with any known technology. We call the new scheme Auto-Digital Gain Balancing. It is amenable to replication for many simultaneous measurement channels, and it permits simultaneous measurement of multiple species, in some circumstances. Experimental demonstrations are presented in the near-infrared. In single scans of a tunable diode laser, measurements of both CO and CO 2 have been made with 20 dB signal-to-noise ratio at peak absorption. This work paves the way for chemical species tomography of minor constituents in many dynamic gas-phase systems

Fission-product chemistry in severe reactor accidents: Review of relevant integral experiments

International Nuclear Information System (INIS)

Nichols, A.L.; Hueber, C.

1992-01-01

The attenuation of the radioactive fission-product emission from a severe reactor accident will depend on a combination of chemical, physical and thermal-hydraulic effects. Chemical species stabilised under the prevailing conditions will determine the extent of aerosol formation and any subsequent interaction, so defining the magnitude and physical forms of the eventual release into the environment. While several important integral tests have taken place in recent years, these experiments have tended to focus on the generation of mass-balance and aerosol-related data to test and validate materials-transport codes rather than study the impact of important chemical phenomena. This emphasis on thermal hydraulics, fuel behaviour and aerosol properties has occurred in many test (e.g. PBF, DEMONA, Marviken-V, LACE and ACE). Nevertheless, the generation and reaction of the chemical species in all of these programmes determined the transport properties of the resulting vapours and aerosols. Chemical effects have been studied in measurements somewhat subsidiary to the main aims of the tests. This work has been reviewed in detail with respect to Marviken-V, LACE, ACE and Falcon. Specific issues remain to be addressed, and these are discussed in terms of the proposed Phebus-FB programme. (author). 58 refs, 9 figs, 1 tab

In-vitro activity of S. lavandulaefolia (Spanish sage) relevant to treatment of Alzheimer's disease.

Science.gov (United States)

Perry, N S; Houghton, P J; Sampson, J; Theobald, A E; Hart, S; Lis-Balchin, M; Hoult, J R; Evans, P; Jenner, P; Milligan, S; Perry, E K

2001-10-01

Salvia lavandulaefolia Vahl. (Spanish sage) essential oil and individual monoterpenoid constituents have been shown to inhibit the enzyme acetylcholinesterase in-vitro and in-vivo. This activity is relevant to the treatment of Alzheimer's disease, since anticholinesterase drugs are currently the only drugs available to treat Alzheimer's disease. Other activities relevant to Alzheimer's disease include antioxidant, anti-inflammatory and estrogenic effects. Results of in-vitro tests for these activities are reported here for S. lavandulaefolia extracts, the essential oil and its major constituents. Antioxidant activity (inhibition of bovine brain liposome peroxidation) was found in the EtOH extract of the dried herb (5 mg mL(-1)) and the monoterpenoids (0.1 M) alpha- and beta-pinene and 1,8-cineole. Thujone and geraniol had lower antioxidant effects, while camphor had no antioxidant effects. Possible anti-inflammatory activity (eicosanoid inhibition in rat leucocytes) was found in the EtOH extract (50 microg mL(-1)) and was shown by the monoterpenoids alpha-pinene and geraniol (0.2 mM), but not 1,8-cineole, thujone or camphor. Possible estrogenic activity (via induction of beta-galactosidase activity in yeast cells) was found in the essential oil (0.01 mg mL(-1)) and the monoterpenoid geraniol (0.1-2 mM). 1,8-Cineole, alpha- and beta-pinene and thujone did not exhibit estrogenic activity in this analysis. These results demonstrate that S. lavandulaefolia, its essential oil and some chemical constituents have properties relevant to the treatment of Alzheimer's disease and provide further data supporting the value of carrying out clinical studies in patients with Alzheimer's disease using this plant species.

Chemical contamination assessment in mangrove-lined Caribbean coastal systems using the oyster Crassostrea rhizophorae as biomonitor species.

Science.gov (United States)

Aguirre-Rubí, Javier R; Luna-Acosta, Andrea; Etxebarría, Nestor; Soto, Manu; Espinoza, Félix; Ahrens, Michael J; Marigómez, Ionan

2018-05-01

This paper aims to contribute to the use of mangrove cupped oyster, Crassostrea rhizophorae, as a biomonitor species for chemical contamination assessment in mangrove-lined Caribbean coastal systems. Sampling was carried out in eight localities (three in Nicaragua and five in Colombia) with different types and levels of contamination. Oysters were collected during the rainy and dry seasons of 2012-2013 and the tissue concentrations of metals, polycyclic aromatic hydrocarbons (PAHs), and persistent organic pollutants (POPs) were determined. Low tissue concentrations of metals (except Hg) and PAHs; moderate-to-high tissue concentrations of Hg, hexachlorocyclohexanes (HCHs), and dichlorodiphenyl-trichloroethanes (DDTs); detectable levels of chlorpyrifos, polychlorinated biphenyls (PCBs) (mainly CB28, CB118, CB138 and CB 153) and brominated diphenyl ethers 85 (BDE85); and negligible levels of musks were recorded in Nicaraguan oysters. A distinct profile of POPs was identified in Colombia, where the tissue concentrations of PCBs and synthetic musk fragrances were low to moderate, and Ag, As, Cd, Pb, and PAHs ranged from moderate to extremely high. Overall, the values recorded for HCHs, DDTs and PCBs in Nicaraguan mangrove cupped oysters greatly exceeded the reference values in tissues of C. rhizophorae from the Wider Caribbean Region, whereas only the levels of PCBs were occasionally surpassed in Colombia. Different contaminant profiles were distinguished between oysters from Nicaragua and Colombia in radar plots constructed using the main groups of contaminants (metals, PAHs, musks, PCBs, and organochlorine pesticides (OCPs)). Likewise, integrated pollution indices revealed differences in the levels of contaminants. Moreover, the profiles and levels in oyster tissues also varied with season. Thus, principal component analysis clearly discriminated Nicaraguan and Colombian localities and, especially in Colombia, seasonal trends in chemical contamination and differences

Habitat or matrix: which is more relevant to predict road-kill of vertebrates?

OpenAIRE

Bueno,C.; Sousa,C. O. M.; Freitas,S. R.

2015-01-01

Abstract We believe that in tropics we need a community approach to evaluate road impacts on wildlife, and thus, suggest mitigation measures for groups of species instead a focal-species approach. Understanding which landscape characteristics indicate road-kill events may also provide models that can be applied in other regions. We intend to evaluate if habitat or matrix is more relevant to predict road-kill events for a group of species. Our hypothesis is: more permeable matrix is the most r...

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

Indian Academy of Sciences (India)

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

Radiation, chemicals, and occupational health research

International Nuclear Information System (INIS)

Turner, J.E.

1984-01-01

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

Chemical process safety at fuel cycle facilities

International Nuclear Information System (INIS)

Ayres, D.A.

1997-08-01

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

Determination of thephysico-chemical 131I species in the exhausts and stack effluent of a PWR power plant

International Nuclear Information System (INIS)

Deuber, H.; Wilhelm, J.G.

1979-01-01

To quantify the credit that can be granted in the assessment of the 131 I ingestion doses and the improvement that can be achieved in the ventilation systems if differences of the physico-chemical 131 I species with respect to the environmental impact are taken into account, the fractions of the 131 I species were determined in the stack effluent and in various exhausts of a 1300 MW/sub e/ PWR power plant during a period of 3 months. Based on these measurements, calculations for different cases of filtration of the main exhausts for iodine were carried out. The average fractions of elemental and organic 131 I were about 70 and 30% respectively in the stack effluent during the time indicated. Elem. 131 I orginated mainly from the hoods in which samples of the primary coolant are taken and processed. Org. 131 I was mainly contributed by the equipment compartments. If the hood exhaust had been filtered, as was the case with the equipment compartment exhaust, the fractions of elem. and org. 131 I would have been on the order of 50% each and the calculated 131 I ingestion doses would have been a factor of 3 lower

Intra-/inter-laboratory validation study on reactive oxygen species assay for chemical photosafety evaluation using two different solar simulators.

Science.gov (United States)

Onoue, Satomi; Hosoi, Kazuhiro; Toda, Tsuguto; Takagi, Hironori; Osaki, Naoto; Matsumoto, Yasuhiro; Kawakami, Satoru; Wakuri, Shinobu; Iwase, Yumiko; Yamamoto, Toshinobu; Nakamura, Kazuichi; Ohno, Yasuo; Kojima, Hajime

2014-06-01

A previous multi-center validation study demonstrated high transferability and reliability of reactive oxygen species (ROS) assay for photosafety evaluation. The present validation study was undertaken to verify further the applicability of different solar simulators and assay performance. In 7 participating laboratories, 2 standards and 42 coded chemicals, including 23 phototoxins and 19 non-phototoxic drugs/chemicals, were assessed by the ROS assay using two different solar simulators (Atlas Suntest CPS series, 3 labs; and Seric SXL-2500V2, 4 labs). Irradiation conditions could be optimized using quinine and sulisobenzone as positive and negative standards to offer consistent assay outcomes. In both solar simulators, the intra- and inter-day precisions (coefficient of variation; CV) for quinine were found to be below 10%. The inter-laboratory CV for quinine averaged 15.4% (Atlas Suntest CPS) and 13.2% (Seric SXL-2500V2) for singlet oxygen and 17.0% (Atlas Suntest CPS) and 7.1% (Seric SXL-2500V2) for superoxide, suggesting high inter-laboratory reproducibility even though different solar simulators were employed for the ROS assay. In the ROS assay on 42 coded chemicals, some chemicals (ca. 19-29%) were unevaluable because of limited solubility and spectral interference. Although several false positives appeared with positive predictivity of ca. 76-92% (Atlas Suntest CPS) and ca. 75-84% (Seric SXL-2500V2), there were no false negative predictions in both solar simulators. A multi-center validation study on the ROS assay demonstrated satisfactory transferability, accuracy, precision, and predictivity, as well as the availability of other solar simulators. Copyright © 2013 Elsevier Ltd. All rights reserved.

Toxicity of proton-metal mixtures in the field: Linking stream macroinvertebrate species diversity to chemical speciation and bioavailability

Energy Technology Data Exchange (ETDEWEB)

Stockdale, Anthony [Centre for Ecology and Hydrology, Lancaster Environment Centre, Library Avenue, Bailrigg, Lancaster LA1 4AP (United Kingdom); Tipping, Edward, E-mail: et@ceh.ac.uk [Centre for Ecology and Hydrology, Lancaster Environment Centre, Library Avenue, Bailrigg, Lancaster LA1 4AP (United Kingdom); Lofts, Stephen [Centre for Ecology and Hydrology, Lancaster Environment Centre, Library Avenue, Bailrigg, Lancaster LA1 4AP (United Kingdom); Ormerod, Stephen J. [Catchment Research Group, Cardiff School of Biosciences, Cardiff University, Cardiff CF10 3US (United Kingdom); Clements, William H. [Department of Fish, Wildlife, and Conservation Biology, Colorado State University, Fort Collins, CO 80523 (United States); Blust, Ronny [Ecophysiology, Biochemistry and Toxicology Group, Department of Biology, University of Antwerp, Groenenborgerlaan 171, 2020 Antwerp (Belgium)

2010-10-01

Understanding metal and proton toxicity under field conditions requires consideration of the complex nature of chemicals in mixtures. Here, we demonstrate a novel method that relates streamwater concentrations of cationic metallic species and protons to a field ecological index of biodiversity. The model WHAM-F{sub TOX} postulates that cation binding sites of aquatic macroinvertebrates can be represented by the functional groups of natural organic matter (humic acid), as described by the Windermere Humic Aqueous Model (WHAM6), and supporting field evidence is presented. We define a toxicity function (F{sub TOX}) by summing the products: (amount of invertebrate-bound cation) x (cation-specific toxicity coefficient, {alpha}{sub i}). Species richness data for Ephemeroptera, Plecoptera and Trichoptera (EPT), are then described with a lower threshold of F{sub TOX}, below which all organisms are present and toxic effects are absent, and an upper threshold above which organisms are absent. Between the thresholds the number of species declines linearly with F{sub TOX}. We parameterised the model with chemistry and EPT data for low-order streamwaters affected by acid deposition and/or abandoned mines, representing a total of 412 sites across three continents. The fitting made use of quantile regression, to take into account reduced species richness caused by (unknown) factors other than cation toxicity. Parameters were derived for the four most common or abundant cations, with values of {alpha}{sub i} following the sequence (increasing toxicity) H{sup +} < Al < Zn < Cu. For waters affected mainly by H{sup +} and Al, F{sub TOX} shows a steady decline with increasing pH, crossing the lower threshold near to pH 7. Competition effects among cations mean that toxicity due to Cu and Zn is rare at lower pH values, and occurs mostly between pH 6 and 8.

Theoretical microbial ecology without species

Science.gov (United States)

Tikhonov, Mikhail

2017-09-01

Ecosystems are commonly conceptualized as networks of interacting species. However, partitioning natural diversity of organisms into discrete units is notoriously problematic and mounting experimental evidence raises the intriguing question whether this perspective is appropriate for the microbial world. Here an alternative formalism is proposed that does not require postulating the existence of species as fundamental ecological variables and provides a naturally hierarchical description of community dynamics. This formalism allows approaching the species problem from the opposite direction. While the classical models treat a world of imperfectly clustered organism types as a perturbation around well-clustered species, the presented approach allows gradually adding structure to a fully disordered background. The relevance of this theoretical construct for describing highly diverse natural ecosystems is discussed.

Spectroscopic studies of neutral and chemically oxidized species of β-carotene, lycopene and norbixin in CH2Cl2: Fluorescence from intermediate compounds

International Nuclear Information System (INIS)

Alwis, D.D.D.H; Chandrika, U.G.; Jayaweera, P.M.

2015-01-01

Radical cations, dications and oxidized intermediate species of three carotenoids, namely, β-carotene, lycopene and norbixin, were generated in CH 2 Cl 2 solutions via chemical oxidation using anhydrous FeCl 3 . UV–vis, fluorescence and fluorescence-excitation spectroscopic studies were performed to understand and compare the nature of intermediate species generated during the chemical oxidation process and subsequent degradation. The intense emission observed at 550 nm can be assigned to the S 2 →S 0 (1 1 B u →1 1 A g ) transition of the carotenoid molecules. The 350 nm excitation during the oxidation process for β-carotene, lycopene and norbixin exhibit intense fluorescence peaks at 492 nm, 493 nm and 500 nm, respectively. These peaks are assigned to intermediate peroxy/epoxy compounds of the three molecules that are formed with molecular oxygen prior to the formation of oxidized short-chain stable compounds. - Highlights: • Fluorescence and UV–vis studies on β-carotene, lycopene and norbixin. • Oxidation, induced by FeCl 3 in CH 2 Cl 2 shows blue shifted fluorescence peaks. • Fluorescence peaks were assigned to intermediate peroxy/epoxy forms of carotenoids. • The D0→D3 transition of radical cations are observed in the near IR region

Computing Properties Of Chemical Mixtures At Equilibrium

Science.gov (United States)

Mcbride, B. J.; Gordon, S.

1995-01-01

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

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

Science.gov (United States)

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

2017-04-01

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

Fast, sensitive, and selective gas chromatography tandem mass spectrometry method for the target analysis of chemical secretions from femoral glands in lizards.

Science.gov (United States)

Sáiz, Jorge; García-Roa, Roberto; Martín, José; Gómara, Belén

2017-09-08

Chemical signaling is a widespread mode of communication among living organisms that is used to establish social organization, territoriality and/or for mate choice. In lizards, femoral and precloacal glands are important sources of chemical signals. These glands protrude chemical secretions used to mark territories and also, to provide valuable information from the bearer to other individuals. Ecologists have studied these chemical secretions for decades in order to increase the knowledge of chemical communication in lizards. Although several studies have focused on the chemical analysis of these secretions, there is a lack of faster, more sensitive and more selective analytical methodologies for their study. In this work a new GC coupled to tandem triple quadrupole MS (GC-QqQ (MS/MS)) methodology is developed and proposed for the target study of 12 relevant compounds often found in lizard secretions (i.e. 1-hexadecanol, palmitic acid, 1-octadecanol, oleic acid, stearic acid, 1-tetracosanol, squalene, cholesta-3,5-diene, α-tocopherol, cholesterol, ergosterol and campesterol). The method baseline-separated the analytes in less than 7min, with instrumental limits of detection ranging from 0.04 to 6.0ng/mL. It was possible to identify differences in the composition of the samples from the lizards analyzed, which depended on the species, the habitat occupied and the diet of the individuals. Moreover, α-tocopherol has been determined for the first time in a lizard species, which was thought to lack its expression in chemical secretions. Globally, the methodology has been proven to be a valuable alternative to other published methods with important improvements in terms of analysis time, sensitivity, and selectivity. Copyright © 2017 Elsevier B.V. All rights reserved.

Chemical Ecology of Stingless Bees.

Science.gov (United States)

Leonhardt, Sara Diana

2017-04-01

Stingless bees (Hymenoptera, Apidae: Meliponini) represent a highly diverse group of social bees confined to the world's tropics and subtropics. They show a striking diversity of structural and behavioral adaptations and are important pollinators of tropical plants. Despite their diversity and functional importance, their ecology, and especially chemical ecology, has received relatively little attention, particularly compared to their relative the honeybee, Apis mellifera. Here, I review various aspects of the chemical ecology of stingless bees, from communication over resource allocation to defense. I list examples in which functions of specific compounds (or compound groups) have been demonstrated by behavioral experiments, and show that many aspects (e.g., queen-worker interactions, host-parasite interactions, neuronal processing etc.) remain little studied. This review further reveals that the vast majority of studies on the chemical ecology of stingless bees have been conducted in the New World, whereas studies on Old World stingless bees are still comparatively rare. Given the diversity of species, behaviors and, apparently, chemical compounds used, I suggest that stingless bees provide an ideal subject for studying how functional context and the need for species specificity may interact to shape pheromone diversification in social insects.

Toxicity challenges in environmental chemicals: Prediction of ...

Science.gov (United States)

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

Growing Azolla to produce sustainable protein feed: the effect of differing species and CO2 concentrations on biomass productivity and chemical composition.

Science.gov (United States)

Brouwer, Paul; Schluepmann, Henriette; Nierop, Klaas Gj; Elderson, Janneke; Bijl, Peter K; van der Meer, Ingrid; de Visser, Willem; Reichart, Gert-Jan; Smeekens, Sjef; van der Werf, Adrie

2018-03-24

Since available arable land is limited and nitrogen fertilizers pollute the environment, cropping systems ought to be developed that do not rely on them. Here we investigate the rapidly growing, N 2 -fixing Azolla/Nostoc symbiosis for its potential productivity and chemical composition to determine its potential as protein feed. In a small production system, cultures of Azolla pinnata and Azolla filiculoides were continuously harvested for over 100 days, yielding an average productivity of 90.0-97.2 kg dry weight (DW) ha -1  d -1 . Under ambient CO 2 levels, N 2 fixation by the fern's cyanobacterial symbionts accounted for all nitrogen in the biomass. Proteins made up 176-208 g kg -1 DW (4.9 × total nitrogen), depending on species and CO 2 treatment, and contained more essential amino acids than protein from soybean. Elevated atmospheric CO 2 concentrations (800 ppm) significantly boosted biomass production by 36-47%, without decreasing protein content. Choice of species and CO 2 concentrations further affected the biomass content of lipids (79-100 g kg -1 DW) and (poly)phenols (21-69 g kg -1 DW). By continuous harvesting, high protein yields can be obtained from Azolla cultures, without the need for nitrogen fertilization. High levels of (poly)phenols likely contribute to limitations in the inclusion rate of Azolla in animal diets and need further investigation. © 2018 The Authors. Journal of the Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry. © 2018 The Authors. Journal of the Science of Food and Agriculture published by John Wiley & Sons Ltd on behalf of Society of Chemical Industry.

Guidelines for application of chemical-specific adjustment factors in dose/concentration-response assessment

International Nuclear Information System (INIS)

Meek, M.E.; Renwick, A.; Ohanian, E.; Dourson, M.; Lake, B.; Naumann, B.D.; Vu, V.

2002-01-01

This manuscript addresses guidance in the use of kinetic and dynamic data to inform quantitatively extrapolations for interspecies differences and human variability in dose-response assessment developed in a project of the International Programme on Chemical Safety (IPCS) initiative on Harmonisation of Approaches to the Assessment of Risk from Exposure to Chemicals. The guidance has been developed and refined through a series of planning and technical meetings and larger workshops of a broad range of participants from academia, government agencies and the private sector. The guidance for adequacy of data for replacement of common defaults for interspecies differences and human variability is presented in the context of several generic categories including: determination of the active chemical species, choice of the appropriate metric (kinetic components) or endpoint (dynamic components) and nature of experimental data, the latter which includes reference to the relevance of population, route and dose and the adequacy of the number of subjects/samples. The principal objective of this guidance developed primarily as a resource for risk assessors, is to foster better understanding of the components of and criteria for adequacy of chemical-specific data to quantitate interspecies differences and human variability in kinetics and dynamics. It is anticipated that this guidance will also encourage the development of appropriate data and facilitate their incorporation in a consistent fashion in dose-response assessment for regulatory purposes (IPCS, 2001)

Marine chemical technology and sensors for marine waters: potentials and limits.

Science.gov (United States)

Moore, Tommy S; Mullaugh, Katherine M; Holyoke, Rebecca R; Madison, Andrew S; Yücel, Mustafa; Luther, George W

2009-01-01

A significant need exists for in situ sensors that can measure chemical species involved in the major processes of primary production (photosynthesis and chemosynthesis) and respiration. Some key chemical species are O2, nutrients (N and P), micronutrients (metals), pCO2, dissolved inorganic carbon (DIC), pH, and sulfide. Sensors need to have excellent detection limits, precision, selectivity, response time, a large dynamic concentration range, low power consumption, robustness, and less variation of instrument response with temperature and pressure, as well as be free from fouling problems (biological, physical, and chemical). Here we review the principles of operation of most sensors used in marine waters. We also show that some sensors can be used in several different oceanic environments to detect the target chemical species, whereas others are useful in only one environment because of various limitations. Several sensors can be used truly in situ, whereas many others involve water brought into a flow cell via tubing to the analyzer in the environment or aboard ship. Multi-element sensors that measure many chemical species in the same water mass should be targeted for further development.

Evidence-Based Approaches to Improving Chemical Equilibrium Instruction

Science.gov (United States)

Davenport, Jodi L.; Leinhardt, Gaea; Greeno, James; Koedinger, Kenneth; Klahr, David; Karabinos, Michael; Yaron, David J.

2014-01-01

Two suggestions for instruction in chemical equilibrium are presented, along with the evidence that supports these suggestions. The first is to use diagrams to connect chemical reactions to the effects of reactions on concentrations. The second is the use of the majority and minority species (M&M) strategy to analyze chemical equilibrium…

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

NARCIS (Netherlands)

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

2013-01-01

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

Evaluation of several chemical disinfectants for removing zebra mussels from unionid mussels

Science.gov (United States)

Waller, D.L.; Fisher, S.W.

1998-01-01

We evaluated the safety and effectiveness of chemical treatments for killing veliger and juvenile stages of the zebra mussel Dreissena polymorpha attached to unionid mussels. Static toxicity tests were conducted on eight unionid mussel species with common aquaculture chemicals (benzalkonium chloride, formalin, hydrogen peroxide, calcium chloride, potassium chloride, and sodium chloride). The concentration and duration of each chemical treatment tested had previously been found to kill zebra mussel veligers and juveniles. Several species (e.g., Elliptio dilatata, Lampsilis cardium, and Lasmigona complanata) incurred less than 10% mortality in chloride salt treatments, while in other species (e.g., Obliquaria reflexa and Leptodea fragilis) mortality varied greatly among treatment regimes. Treatments with benzalkonium chloride, formalin, and hydrogen peroxide were less than 90% effective on juvenile stages of zebra mussels and, therefore, were ruled out after preliminary trials. Limited application of specific chemical treatments may be feasible for more tolerant species; however, effective disinfection of unionid shells will require the use of chemical treatment followed by a quarantine period to completely remove zebra mussel larvae and juveniles.

A Probabilistic Assessment of the Chemical and Radiological Risks of Chronic Exposure to Uranium in Freshwater Ecosystems

International Nuclear Information System (INIS)

Mathews, T.; Beaugelin-Seiller, K.; Garnier-Laplace, J.; Gilbin, R.; Adam, Ch.; Della-Vedova, C.

2009-01-01

Uranium (U) presents a unique challenge for ecological risk assessments (ERA) because it induces both chemical and radiological toxicity, and the relative importance of these two toxicities differs among the various U source terms (i.e., natural, enriched, depleted). We present a method for the conversion between chemical concentrations (μgL -1 ) and radiological dose rates (μGyh -1 ) for a defined set of reference organisms, and apply this conversion method to previously derived chemical and radiological benchmarks to determine the extent to which these benchmarks ensure radiological and chemical protection, respectively, for U in freshwater ecosystems. Results show that the percentage of species radiologically protected by the chemical benchmark decreases with increasing degrees of U enrichment and with increasing periods of radioactive decay. In contrast, the freshwater ecosystem is almost never chemically protected by the radiological benchmark, regardless of the source term or decay period considered, confirming that the risks to the environment from uranium's chemical toxicity generally outweigh those of its radiological toxicity. These results are relevant to developing water quality criteria that protect freshwater ecosystems from the various risks associated with the nuclear applications of U exploitation, and highlight the need for (1) further research on the speciation, bioavailability, and toxicity of U-series radionuclides under different environmental conditions, and (2) the adoption of both chemical and radiological benchmarks for coherent ERAS to be conducted in U-contaminated freshwater ecosystems. (authors)

Essential Oils Extracted Using Microwave-Assisted Hydrodistillation from Aerial Parts of Eleven Artemisia Species: Chemical Compositions and Diversities in Different Geographical Regions of Iran

Directory of Open Access Journals (Sweden)

Majid Mohammadhosseini

2017-03-01

Full Text Available This study aimed to assess the chemical compositions of essential oils (EOs extracted through microwave-assisted hydrodistillation from aerial parts of 11 Artemisia species growing wild in different regions in Northern, Eastern, Western, and Central parts of Iran. The EOs were subsequently analyzed via GC and GC-MS. The percentage yields of the EOs varied over the range of 0.21-0.50 (w/w%. On the basis of these characterizations and spectral assignments, natural compounds including camphor, 1,8-cineole, camphene, α-pinene, β-pinene, β-thujone, and sabinene were the most abundant and frequent constituents among all studied chemical profiles. Accordingly, oxygenated monoterpenes, monoterpene hydrocarbons, and non-terpene hydrocarbons were the dominant groups of natural compounds in the chemical profiles of 13, 4, and 2 samples, respectively. Moreover, five chemotypes were identified using statistical analyses: camphene, α-pinene and β-pinene; 1,8-cineole; camphore and 1,8-cineole; camphore and camphore and β-thujone.

Antitheilerial Chemical Drugs: A Review | Hayat | Bulletin of Animal ...

African Journals Online (AJOL)

Synthetic or semi synthetic chemical drugs were used for treatment of Theileria species. These drugs include antimalarial, trypanocides and antibiotics, antiviral, etc. The aim of this study was to over-view chemical drugs tested for treatment of theileriosis. Keywords: Theileria, treatment, chemical drug ...

Chemical Evolution of a Protoplanetary Disk

Science.gov (United States)

Semenov, Dmitry A.

2011-12-01

In this paper we review recent progress in our understanding of the chemical evolution of protoplanetary disks. Current observational constraints and theoretical modeling on the chemical composition of gas and dust in these systems are presented. Strong variations of temperature, density, high-energy radiation intensities in these disks, both radially and vertically, result in a peculiar disk chemical structure, where a variety of processes are active. In hot, dilute and heavily irradiated atmosphere only the most photostable simple radicals and atoms and atomic ions exist, formed by gas-phase processes. Beneath the atmosphere a partly UV-shielded, warm molecular layer is located, where high-energy radiation drives rich ion-molecule and radical-radical chemistry, both in the gas phase and on dust surfaces. In a cold, dense, dark disk midplane many molecules are frozen out, forming thick icy mantles where surface chemistry is active and where complex polyatomic (organic) species are synthesized. Dynamical processes affect disk chemical composition by enriching it in abundances of complex species produced via slow surface processes, which will become detectable with ALMA.

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

Science.gov (United States)

Seitz, Wolfram; Winzenbacher, Rudi

2017-06-01

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

Self-organizing ontology of biochemically relevant small molecules.

Science.gov (United States)

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

2012-01-06

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

Self-organizing ontology of biochemically relevant small molecules

Science.gov (United States)

2012-01-01

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

Self-organizing ontology of biochemically relevant small molecules

Directory of Open Access Journals (Sweden)

Chepelev Leonid L

2012-01-01

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

Chemical warfare agents. Classes and targets.

Science.gov (United States)

Schwenk, Michael

2018-09-01

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

Mathematical study of chemical kinetics schemes. Application to air pollution models; Etude mathematique de schemas de cinetique chimique. Application a des modeles de pollution atmospherique

Energy Technology Data Exchange (ETDEWEB)

Billette, E.

1997-06-23

Complex chemical kinetics modelling is relevant in numerous fields related to the petroleum industry, for instance engine combustion, petrochemistry and atmospheric pollution. Many numerical difficulties are encountered in the computation of these models, mainly due to the large size, the non-linearity and the stiffness of the associated ordinary differential systems. We first studied systems that have an asymptotic behaviour which may be derived from an algebraic analysis. Then we reviewed different methods that make possible the reduction of size and stiffness for chemical kinetics-related differential systems, and suggest possible improvements for some of those methods. We also studied their application to atmospheric chemistry models. Finally, we started to extend those reduction methods to partial differential systems that include, in addition to chemical kinetics, other phenomena such as species emission, advection or diffusion. (author) 44 refs.

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

Science.gov (United States)

Han, Don-Hee; Park, Min Soo

2018-02-10

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

Diffusion approximations to the chemical master equation only have a consistent stochastic thermodynamics at chemical equilibrium.

Science.gov (United States)

Horowitz, Jordan M

2015-07-28

The stochastic thermodynamics of a dilute, well-stirred mixture of chemically reacting species is built on the stochastic trajectories of reaction events obtained from the chemical master equation. However, when the molecular populations are large, the discrete chemical master equation can be approximated with a continuous diffusion process, like the chemical Langevin equation or low noise approximation. In this paper, we investigate to what extent these diffusion approximations inherit the stochastic thermodynamics of the chemical master equation. We find that a stochastic-thermodynamic description is only valid at a detailed-balanced, equilibrium steady state. Away from equilibrium, where there is no consistent stochastic thermodynamics, we show that one can still use the diffusive solutions to approximate the underlying thermodynamics of the chemical master equation.

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

DEFF Research Database (Denmark)

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

2015-01-01

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

76 FR 39856 - Endangered and Threatened Species; Take of Anadromous Fish

Science.gov (United States)

2011-07-07

... and Threatened Species; Take of Anadromous Fish AGENCY: National Marine Fisheries Service (NMFS... permits and permit modifications, as required by the Endangered Species Act of 1973 (16 U.S.C. 1531-1543... and wildlife permits. Species Covered in This Notice This notice is relevant to federally endangered...

Odor concentration invariance by chemical ratio coding

Directory of Open Access Journals (Sweden)

Naoshige Uchida

2008-08-01

Full Text Available Many animal species rely on chemical signals to extract ecologically important information from the environment. Yet in natural conditions chemical signals will frequently undergo concentration changes that produce differences in both level and pattern of activation of olfactory receptor neurons. Thus, a central problem in olfactory processing is how the system is able to recognize the same stimulus across different concentrations. To signal species identity for mate recognition, some insects use the ratio of two components in a binary chemical mixture to produce a code that is invariant to dilution. Here, using psychophysical methods, we show that rats also classify binary odor mixtures according to the molar ratios of their components, spontaneously generalizing over at least a tenfold concentration range. These results indicate that extracting chemical ratio information is not restricted to pheromone signaling and suggest a general solution for concentration-invariant odor recognition by the mammalian olfactory system.

Limitations in Using Chemical Oxidative Potential to Understand Oxidative Stress from Particulate Matter

Science.gov (United States)

Chan, A. W. H.; Wang, S.; Wang, X.; Kohl, L.; Chow, C. W.

2017-12-01

Particulate matter (PM) in the atmosphere is known to cause adverse cardiorespiratory health effects. It has been suggested that the ability of PM to generate oxidative stress leads to a proinflammatory response. In this work, we study the biological relevance of using a chemical oxidative potential (OP) assay to evaluate proinflammatory response in airway epithelial cells. Here we study the OPs of laboratory secondary organic aerosol (SOA) and metal mixtures, ambient PM from India, ash from the 2016 Alberta wildfires, and diesel exhaust particles. We use SOA derived from naphthalene and from monoterpenes as model systems for SOA. We measure OP using the dithiothreitol (DTT) assay, and cytosolic reactive oxygen species (ROS) production in BEAS-2B cell culture was measured using CellROX assay. We found that both SOA and copper show high OPs individually, but the OP of the combined SOA/copper mixture, which is more atmospherically relevant, was lower than either of the individual OPs. The reduced activity is attributed to chelation between metals and organic compounds using proton nuclear magnetic resonance. There is reasonable association between DTT activity and cellular ROS production within each particle type, but weak association across different particle types, suggesting that particle composition plays an important role in distinguishing between antioxidant consumption and ROS production. Our results highlight that while oxidative potential is a useful metric of PM's ability to generate oxidative stress, the chemical composition and cellular environment should be considered in understanding health impacts of PM.

Characterization of chemical elements of fruits of Leucaena leucocephala in riverside areas of the Piracicaba River Basin, São Paulo, Brazil; Caracterização de elementos químicos de frutos de Leucaena leucocephala em áreas ribeirinhas da Bacia do Rio Piracicaba, São Paulo, Brasil

Energy Technology Data Exchange (ETDEWEB)

França, Elvis J.; Magalhães, Marcelo R.L. de; Ferreira, Fabiano S., E-mail: ejfranca@cnen.gov.br, E-mail: marcelo_rlm@hotmail.com, E-mail: biologofabiano10@gmail.com [Centro de Ciência Nucleares do Nordeste (CRCN-NE/CNEN-PE), Recife, PE (Brazil); Fernandes, Elisabete A. de N.; Fonseca, Felipe Y.; Rodrigues, Vanessa S.; Cavalca, Isabel P.O.; Camilli, Leandro, E-mail: lis@cena.usp.br, E-mail: vsrodrigues89@gmail.com, E-mail: i-cavalcante@uol.com.br [Centro de Energia Nuclear na Agricultura (CENA/USP), Piracicaba, SP (Brazil); Silva, Bruno F., E-mail: brunodasilva1996@hotmail.com [Universidade Federal de Pernambuco (UFPE), Recife, PE (Brazil)

2017-07-01

The species Leucaena leucocephala is present in several environments. Its fruit is widely used in cattle feed. However, it is classified as an invasive species, causing problems in the restoration of impacted areas. The Piracicaba River Basin is heavily affected by urbanization and industrialization, which shows the proliferation of this species. Considering the importance of this tree species for Brazil, the present study quantifies chemical elements in fruits of this species by applying Instrumental Neutronic Activation Analysis, method k{sup 0}. Samples were collected in riverside areas of the Piracicaba Municipality, São Paulo, Brazil, at different periods (dry and rainy season). After collection, the samples were shattered and transferred to polyethylene capsules and irradiated with neutrons. Certified reference materials were used to evaluate the quality of the analytical procedure, all material was irradiated under a thermal neutron flux of 10{sup 13} cm-2s-1 for 8 hours. Ni-Cr alloy was used for the monitoring of thermal neutron flux. High Resolution Range Spectrometry with HPG detectors was employed for the measurement of the induced radioactivity, allowing the quantification of the chemical elements. Compared with available results of chemical analysis of pods, the chemical elements Ca, K, Ba, Cr and Se presented high concentrations. We also quantified chemical elements of environmental relevance such as As, Hg, Br, Ce, Cs, Eu, Hf, La, Rb, Sb, Sc, Sm, Ta, Tb, Th and Yb, indicating the need for element dynamics studies in the environments occupied by this invasive species.

Chemical Composition and Biological Activity of Essential Oils from Different Species of Piper from Panama.

Science.gov (United States)

Santana, Ana I; Vila, Roser; Cañigueral, Salvador; Gupta, Mahabir P

2016-07-01

The chemical composition of leaf essential oils from 11 species of Piper from Panama was analyzed by a combination GC-FID and GC-MS procedures. Six of them had sesquiterpene hydrocarbons as major constituents, three were characterized by monoterpene hydrocarbons, one by a diterpene, and one by a phenylpropanoid, dillapiole. The main components identified in each species were: cembratrienol (25.4 %) in Piper augustum; β-pinene (26.6 %) in Piper corrugatum; α-pinene (19.4 %) in Piper curtispicum; trans-β-farnesene (63.7 %) in Piper darienense; p-cymene (43.9 %) in Piper grande; dillapiole (57.7 %) in Piper hispidum; linalool (14.5 %), α-phellandrene (13.8 %), and limonene (12.2 %) in Piper jacquemontianum; β-caryophyllene (45.2 %) in Piper longispicum; linalool (16.5 %), α-phellandrene (11.8 %), limonene (11.4 %), and p-cymene (9.0 %) in Piper multiplinervium; β-selinene (19.0 %), β-elemene (16.1 %), and α-selinene (15.5 %) in Piper reticulatum; and germacrene D (19.7 %) in Piper trigonum. The essential oils of P. hispidum and P. longispicum at a concentration of 250 µg/mL showed larvicidal activity against Aedes aegypti, while the oils from P. curtispicum, P. multiplinervium, P. reticulatum, and P. trigonum were inactive (LC100 ≥ 500 µg/mL). The essential oils of P. grande, P. jacquemontianum, and P. multiplinervium showed no significant antifungal activity (MIC > 250 µg/mL) against several yeasts and filamentous fungal strains. Georg Thieme Verlag KG Stuttgart · New York.

Photomixotrophic chemical production in cyanobacteria.

Science.gov (United States)

Matson, Morgan M; Atsumi, Shota

2018-04-01

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

76 FR 61344 - Endangered and Threatened Species; Take of Anadromous Fish

Science.gov (United States)

2011-10-04

... and Threatened Species; Take of Anadromous Fish AGENCY: National Marine Fisheries Service (NMFS... modifications, as required by the Endangered Species Act of 1973 (16 U.S.C. 1531-1543) (ESA), is based on a.... Species Covered in This Notice This notice is relevant to federally endangered Central California Coast...

Chemical aspects of radiation damage processes: radiolysis

International Nuclear Information System (INIS)

Asmus, K.D.

1975-01-01

The formation of primary species and radiation chemical yields are discussed. In a section on chemical scavenging of primary species the author considers scavenging kinetics and competition reactions and gives a brief outline of some experimental methods. The radiation chemistry of aqueous solutions is discussed as an example for polar solvents. Cyclohexane is used as an example for non-polar solvents. The importance of excited states and energy transfer is considered. Reactions in the solid state are discussed and results on linear energy transfer and average ion pair formation for various kinds of radiation are surveyed. (B.R.H.)

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

NARCIS (Netherlands)

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

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

Chemical relationship between Pinaceae

NARCIS (Netherlands)

Niemann, G.J.; Genderen, H.H. van

1980-01-01

Fingerprints of phenolic compounds of leaf extracts of eleven pine species have been made by paper chromatography and HPLC. The results suggest a chemical relationship which agrees fairly well with those based on immunological and morphological characters but not always with the classification

Radiation transformation studies: are they relevant to radiation protection problems?

International Nuclear Information System (INIS)

Seymour, C.B.; Mothersill, C.

1988-01-01

Because of the difficulties of studying radio-carcinogenesis in humans, several in vitro systems are utilised. These cell transformation systems are reviewed, with particular emphasis on their relevance to human radiological protection problems. Most available systems use rodent fibroblasts. These are discussed in detail. Attention is drawn to certain artefacts which can cause problems with interpretation of such data. The relevance of these systems is questionable because of species differences, particularly concerning life span and because most human tumours are derived from epithelial cells. New epithelial culture systems and three-dimensional tissue culture methods becoming available are discussed in the light of their potential for addressing radiation protection problems. (author)

A thermodynamic framework for thermo-chemo-elastic interactions in chemically active materials

Science.gov (United States)

Zhang, XiaoLong; Zhong, Zheng

2017-08-01

In this paper, a general thermodynamic framework is developed to describe the thermo-chemo-mechanical interactions in elastic solids undergoing mechanical deformation, imbibition of diffusive chemical species, chemical reactions and heat exchanges. Fully coupled constitutive relations and evolving laws for irreversible fluxes are provided based on entropy imbalance and stoichiometry that governs reactions. The framework manifests itself with a special feature that the change of Helmholtz free energy is attributed to separate contributions of the diffusion-swelling process and chemical reaction-dilation process. Both the extent of reaction and the concentrations of diffusive species are taken as independent state variables, which describe the reaction-activated responses with underlying variation of microstructures and properties of a material in an explicit way. A specialized isothermal formulation for isotropic materials is proposed that can properly account for volumetric constraints from material incompressibility under chemo-mechanical loadings, in which inhomogeneous deformation is associated with reaction and diffusion under various kinetic time scales. This framework can be easily applied to model the transient volumetric swelling of a solid caused by imbibition of external chemical species and simultaneous chemical dilation arising from reactions between the diffusing species and the solid.

Predictions For New, Exotic Actinide Species

International Nuclear Information System (INIS)

Pyykko, P.

2002-01-01

The approach. New, simple chemical species can be predicted by studying isoelectronic series using ab initio quantum chemistry. We currently use in most cases relativistic pseudopotentials and handle the electron correlation using density functional theory (DFT) or wave-function-based methods, from MP2 to CCSD(T). Typical codes are Gaussian 98, Turbomole or MolCas. For full four-component Dirac-Fock calculations, the DREAMS code of K. G. Dyall has been utilized. For mapping out the possible new species, complete maps of all possibilities are made, whenever possible, and the new species typically occur along the coast-line of the 'island of stability' of already known species

Practical chemical thermodynamics for geoscientists

CERN Document Server

Fegley, Bruce, Jr

2012-01-01

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

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.

Non-equilibrium reaction rates in chemical kinetic equations

Science.gov (United States)

Gorbachev, Yuriy

2018-05-01

Within the recently proposed asymptotic method for solving the Boltzmann equation for chemically reacting gas mixture, the chemical kinetic equations has been derived. Corresponding one-temperature non-equilibrium reaction rates are expressed in terms of specific heat capacities of the species participate in the chemical reactions, bracket integrals connected with the internal energy transfer in inelastic non-reactive collisions and energy transfer coefficients. Reactions of dissociation/recombination of homonuclear and heteronuclear diatomic molecules are considered. It is shown that all reaction rates are the complex functions of the species densities, similarly to the unimolecular reaction rates. For determining the rate coefficients it is recommended to tabulate corresponding bracket integrals, additionally to the equilibrium rate constants. Correlation of the obtained results with the irreversible thermodynamics is established.

On the Complexity of Reconstructing Chemical Reaction Networks

DEFF Research Database (Denmark)

Fagerberg, Rolf; Flamm, Christoph; Merkle, Daniel

2013-01-01

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

Characterization of the parameters at the origin of the chemical species hideout process at the fuel rod surface in boiling conditions

International Nuclear Information System (INIS)

Peybernes, J.; March, P.

1999-01-01

Current trends in nuclear power generation (and particularly in pressurized water reactors) are toward plant life extension and extended fuel burnup. A higher heat generation rate can induce local boiling regimes at the fuel rod surface in the hottest channels of the core, which can strongly modify the chemical environment of the cladding and influence the oxidation rate of zirconium alloys. Tests performed in out-of-pile loops under severe chemical and thermal-hydraulic conditions (nucleate boiling, higher lithium contents compared to PWRs) reveal two important phenomena: an increase of the oxidation rate of Zircaloy-4 cladding materials in 'high' lithiated environments; an enrichment of the chemical additives in the primary water (boron, lithium) at the surface of the cladding under nucleate boiling conditions. The latter phenomenon, also called 'hideout effect', is mainly controlled by some thermal hydraulic parameters such as bubble diameters and nucleation site density. These parameters strongly depend on the oxide morphology (roughness, porosity). The lack of reliable data in high temperature water environments has led to the development of a specific instrumentation based on visualization. The fitting of windows on the REGGAE out-of-pile loop provides an optical access to the two-phase flow regime under PWR operating conditions, allowing for the characterization of the parameters at the origin of the chemical species hideout process. These direct observations of the cladding surfaces subjected to nucleate boiling conditions provide information about the development of the boiling mechanisms in relation to the morphology of the oxide layers (porosity, thickness, roughness). (author)

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

Science.gov (United States)

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

2016-10-20

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

Phylogeny of the Clinically Relevant Species of the Emerging Fungus Trichoderma and Their Antifungal Susceptibilities

Science.gov (United States)

Sandoval-Denis, Marcelo; Sutton, Deanna A.; Cano-Lira, José F.; Fothergill, Annette W.; Wiederhold, Nathan P.; Guarro, Josep

2014-01-01

A set of 73 isolates of the emerging fungus Trichoderma isolated from human and animal clinical specimens were characterized morphologically and molecularly using a multilocus sequence analysis that included the internal transcribed spacer (ITS) regions of the nuclear ribosomal DNA and fragments of the translation elongation factor 1 alpha (Tef1), endochitinase CHI18-5 (Chi18-5), and actin 1 (Act1) genes. The most frequent species was Trichoderma longibrachiatum (26%), followed by Trichoderma citrinoviride (18%), the Hypocrea lixii/Trichoderma harzianum species complex (15%), the newly described species Trichoderma bissettii (12%), and Trichoderma orientale (11%). The most common anatomical sites of isolation in human clinical specimens were the respiratory tract (40%), followed by deep tissue (30%) and superficial tissues (26%), while all the animal-associated isolates were obtained from superficial tissue samples. Susceptibilities of the isolates to eight antifungal drugs in vitro showed mostly high MICs, except for voriconazole and the echinocandins. PMID:24719448

Utilization of chemical derivatives in activation analysis

International Nuclear Information System (INIS)

Ehmann, W.D.

1990-01-01

Derivative activation analysis (DAA) is a method to enhance the sensitivity of nuclear activation analysis for the more elusive elements. It may also allow a degree of chemical speciation for the element of interest. DAA uses a preirradiation chemical reaction on the sample to initiate the formation of, or an exchange with, a chemical complex which contains a surrogate element, M. As a result, the amount of the element or the chemical species to be determined, X, is now represented by measurement of the amount of the surrogate element, M, that is made part of, or released by the complex species. The surrogate element is selected for its superior properties for nuclear activation analysis and the absence of interference reaction in its final determination by instrumental neutron activation analysis (INAA) after some preconcentration or separation chemistry. Published DAA studies have been limited to neutron activation analysis. DAA can offer the analyst some important advantages. It can determine elements, functional groups, or chemical species which cannot be determined directly by INAA, fast neutron activation analysis (FNAA), prompt gamma neutron activation analysis (PGNAA), or charged particle activation analysis (CPAA) procedures. When compared with conventional RNAA, there are fewer precautions with respect to handling of intensely radioactive samples, since the chemistry is done before the irradiation. The preirradiation chemistry may also eliminate many interferences that might occur in INAA and, through use of an appropriate surrogate element, can place the analytical gamma-ray line in an interference-free region of the gamma-ray spectrum

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

International Nuclear Information System (INIS)

2000-01-01

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

Chemical evolution of galaxies

CERN Document Server

Matteucci, Francesca

2012-01-01

The term “chemical evolution of galaxies” refers to the evolution of abundances of chemical species in galaxies, which is due to nuclear processes occurring in stars and to gas flows into and out of galaxies. This book deals with the chemical evolution of galaxies of all morphological types (ellipticals, spirals and irregulars) and stresses the importance of the star formation histories in determining the properties of stellar populations in different galaxies. The topic is approached in a didactical and logical manner via galaxy evolution models which are compared with observational results obtained in the last two decades: The reader is given an introduction to the concept of chemical abundances and learns about the main stellar populations in our Galaxy as well as about the classification of galaxy types and their main observables. In the core of the book, the construction and solution of chemical evolution models are discussed in detail, followed by descriptions and interpretations of observations of ...

Searching for the origins of musicality across species.

Science.gov (United States)

Hoeschele, Marisa; Merchant, Hugo; Kikuchi, Yukiko; Hattori, Yuko; ten Cate, Carel

2015-03-19

In the introduction to this theme issue, Honing et al. suggest that the origins of musicality--the capacity that makes it possible for us to perceive, appreciate and produce music--can be pursued productively by searching for components of musicality in other species. Recent studies have highlighted that the behavioural relevance of stimuli to animals and the relation of experimental procedures to their natural behaviour can have a large impact on the type of results that can be obtained for a given species. Through reviewing laboratory findings on animal auditory perception and behaviour, as well as relevant findings on natural behaviour, we provide evidence that both traditional laboratory studies and studies relating to natural behaviour are needed to answer the problem of musicality. Traditional laboratory studies use synthetic stimuli that provide more control than more naturalistic studies, and are in many ways suitable to test the perceptual abilities of animals. However, naturalistic studies are essential to inform us as to what might constitute relevant stimuli and parameters to test with laboratory studies, or why we may or may not expect certain stimulus manipulations to be relevant. These two approaches are both vital in the comparative study of musicality.

Partial chemical equilibrium in fluid dynamics

International Nuclear Information System (INIS)

Ramshaw, J.D.

1980-01-01

An analysis is given for the flow of a multicomponent fluid in which an arbitrary number of chemical reactions may occur, some of which are in equilibrium while the others proceed kinetically. The primitive equations describing this situation are inconvenient to use because the progress rates omega-dot/sub s/ for the equilibrium reactions are determined implicitly by the associated equilibrium constraint conditions. Two alternative equivalent equation systems that are more pleasant to deal with are derived. In the first system, the omega-dot/sub s/ are eliminated by replacing the transport equations for the chemical species involved in the equilibrium reactions with transport equations for the basic components of which these species are composed. The second system retains the usual species transport equations, but eliminates the nonlinear algebraic equilibrium constraint conditions by deriving an explicit expression for the omega-dot/sub s/. Both systems are specialized to the case of an ideal gas mixture. Considerations involved in solving these equation systems numerically are discussed briefly

Relevance of various nitrogen fixing microorganisms in ecology and plant productivity as a basis for evaluating their damage by environmental chemicals

Energy Technology Data Exchange (ETDEWEB)

Jagnow, G

1981-01-01

To evaluate detrimental side-effects of environmental chemicals on the biological N/sub 2/-fixation the relative importance of the N/sub 2/-fixation of legume and non-legume root nodules, of symbiotic and free living blue-green algae, of aerobic and facultatively anaerobic rhizosphere bacteria and of anaerobic bacteria is discussed on the basis of their fixation rate and their contribution to the conservation of ecosystems. From an agricultural and ecological point of view the symbiotic N/sub 2/-fixation of legumes and non-legumes takes the first place, being followed by that of blue-green algae and rhizosphere bacteria. Compared with these, the strictly anaerobic N/sub 2/-fixation has only a minor importance. Variable side-effects of herbicides on N/sub 2/-fixing bacteria are cited to stress the necessity of testing representatives of various ecological groups. Suitable test systems are proposed with soybeans, white clover, Rhizobium cultures, N/sub 2/-fixing blue-green algae and with Azospirillum species.

Equilibrium Constant as Solution to the Open Chemical Systems

OpenAIRE

Zilbergleyt, B.

2008-01-01

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

Thermochemical data for environmentally-relevant elements

International Nuclear Information System (INIS)

Markich, S.J.; Brown, P.L.

1999-01-01

This study provides an extensive stability constant (log K) database suitable for calculating the speciation of selected environmentally-relevant elements (H, Na, K, Ca, Mg, Fe, Mn, U, Al Pb, Zn, Cu and cd) in an aqueous system, where a model fulvic acid (comprising aspartic, citric, malonic, salicylic and tricarballylic acids) is used to simulate metal binding by dissolved organic material Stability constants for inorganic metal complexes and minerals were selected primarily from critical literature complications and/or reviews. In contrast, few critically evaluated data were available for metal complexes with aspartic, citric, malonic, salicylic and tricarballylic acids. Consequently, data from original research articles were carefully evaluated and compiled as part of the study, following defined selection criteria. to meet the objective of compiling a comprehensive and reliable database of stability constants, all relevant equilibria and species, ranging from simple binary metal complexes to more complex ternary and even quaternary, metal complexes were included where possible in addition to the selection of stability constants from empirical sources, estimates of stability constants were performed when this could be done reliably, based on the unified theory of metal ion complexation and/or linear tree energy relationships The stability constants are given as common logarithms (logo) in the form required by the HARPHRQ geochemical code and refer to the standard state, i.e 298.15 K (25 deg C), 10 5 Pa (1 atm) and, for all species, infinite dilution (ionic strength = 0 mol L -1 ). In addition to the compilation of stability constant data, an overview is given of geochemical speciation modelling in aqueous systems and available conceptual models of metal binding by humic substances. (authors)

Chemical composition of hydroethanolic extracts from five species of the Passiflora genus

Directory of Open Access Journals (Sweden)

Marna E Sakalem

2012-09-01

Full Text Available The diversified genus Passiflora is well distributed all over Brazil, and many species have been long used as medicinal plants, mainly against anxiety disturbances. This effect has been attributed to its rich flavonoid composition. Flavonoids’ main class, flavonoid glycosides, has presented central action, particularly as sedative-hypnotic, anxiolytic and analgesic. The objective of the present study was to make a phytochemical screening of five little studied Passiflora species, in order to evaluate their phenolic composition. For this aim, HPLC-DAD-ESI-MS/MS was used. After the preparation of the hydroalcoholic extracts, each species was evaluated by direct injection electrospray ionization (ESI and tandem mass spectrometry. Although belonging to the same genus, the composition of each species presented particularities; this justifies the importance of studies aiming for the phenolic composition of different Passiflora species. Flavones C-glycosides were detected in all extracts, and are found as the main constituents in P. vitifolia, P. coccinea, P. bahiensis and P. sidifolia. In this last one, flavone-6,8-di-C-glycoside, apigenin-6-C-rhamnosyl-8-C-arabinoside are present in high content. Cyclopassiflosides were found in high content together with cyanogenic glycosides in P. quadrangularis, while in P. coccinea, besides flavones-C-glycosides were also found procyanidins.

Chemical composition of hydroethanolic extracts from five species of the Passiflora genus

Directory of Open Access Journals (Sweden)

Marna E Sakalem

2012-12-01

Full Text Available The diversified genus Passiflora is well distributed all over Brazil, and many species have been long used as medicinal plants, mainly against anxiety disturbances. This effect has been attributed to its rich flavonoid composition. Flavonoids’ main class, flavonoid glycosides, has presented central action, particularly as sedative-hypnotic, anxiolytic and analgesic. The objective of the present study was to make a phytochemical screening of five little studied Passiflora species, in order to evaluate their phenolic composition. For this aim, HPLC-DAD-ESI-MS/MS was used. After the preparation of the hydroalcoholic extracts, each species was evaluated by direct injection electrospray ionization (ESI and tandem mass spectrometry. Although belonging to the same genus, the composition of each species presented particularities; this justifies the importance of studies aiming for the phenolic composition of different Passiflora species. Flavones C-glycosides were detected in all extracts, and are found as the main constituents in P. vitifolia, P. coccinea, P. bahiensis and P. sidifolia. In this last one, flavone-6,8-di-C-glycoside, apigenin-6-C-rhamnosyl-8-C-arabinoside are present in high content. Cyclopassiflosides were found in high content together with cyanogenic glycosides in P. quadrangularis, while in P. coccinea, besides flavones-C-glycosides were also found procyanidins.

A review of reaction rates and thermodynamic and transport properties for the 11-species air model for chemical and thermal nonequilibrium calculations to 30000 K

Science.gov (United States)

Gupta, Roop N.; Yos, Jerrold M.; Thompson, Richard A.

1989-01-01

Reaction rate coefficients and thermodynamic and transport properties are provided for the 11-species air model which can be used for analyzing flows in chemical and thermal nonequilibrium. Such flows will likely occur around currently planned and future hypersonic vehicles. Guidelines for determining the state of the surrounding environment are provided. Approximate and more exact formulas are provided for computing the properties of partially ionized air mixtures in such environments.

Dietary antioxidant synergy in chemical and biological systems.

Science.gov (United States)

Wang, Sunan; Zhu, Fan

2017-07-24

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

AMAZON RAINFOREST COSMETICS: CHEMICAL APPROACH FOR QUALITY CONTROL

Directory of Open Access Journals (Sweden)

Mariko Funasaki

2016-02-01

Full Text Available The market for natural cosmetics featuring ingredients derived from Amazon natural resources is growing worldwide. However, there is neither enough scientific basis nor quality control of these ingredients. This paper is an account of the chemical constituents and their biological activities of fourteen Amazonian species used in cosmetic industry, including açaí (Euterpe oleracea, andiroba (Carapa guianensis, bacuri (Platonia insignis, Brazil nut (Bertholletia excelsa, buriti (Mauritia vinifera or M. flexuosa, cumaru (Dipteryx odorata, cupuaçu (Theobroma grandiflorum, guarana (Paullinia cupana, mulateiro (Calycophyllum spruceanum, murumuru (Astrocaryum murumuru, patawa (Oenocarpus bataua or Jessenia bataua, pracaxi (Pentaclethra macroloba, rosewood (Aniba rosaeodora, and ucuuba (Virola sebifera. Based on the reviewed articles, we selected chemical markers for the quality control purpose and evaluated analytical methods. Even though chromatographic and spectroscopic methods are major analytical techniques in the studies of these species, molecular approaches will also be important as used in food and medicine traceability. Only a little phytochemical study is available about most of the Amazonian species and some species such as açaí and andiroba have many reports on chemical constituents, but studies on biological activities of isolated compounds and sampling with geographical variation are limited.

Physical, Chemical and Periphyton/Phytoplankton Study of Onah ...

African Journals Online (AJOL)

physico-chemical parameter, viz: ionic conductivity factor contributed 26.07%, nutrient factor contributed 40.61% while dissolved oxygen factor contributed 33.32%. Three divisions, eight families and ten species of periphyton were encountered. The most abundant periphyton species recorded are Closterium spp. (26.37%) ...

Distribution and Metabolism of Lipocurc™ (Liposomal Curcumin) in Dog and Human Blood Cells: Species Selectivity and Pharmacokinetic Relevance.

Science.gov (United States)

Bolger, Gordon T; Licollari, Albert; Tan, Aimin; Greil, Richard; Vcelar, Brigitta; Majeed, Muhammad; Helson, Lawrence

2017-07-01

The aim of this study was to investigate the distribution of curcumin (in the form of Lipocurc™) and its major metabolite tetrahydrocurcumin (THC) in Beagle dog and human red blood cells, peripheral blood mononuclear cells (PBMC) and hepatocytes. Lipocurc™ was used as the source of curcumin for the cell distribution assays. In vitro findings with red blood cells were also compared to in vivo pharmacokinetic data available from preclinical studies in dogs and phase I clinical studies in humans. High levels of curcumin were measured in PBMCs (625.5 ng/g w.w. cell pellet or 7,297 pg/10 6 cells in dog and 353.7 ng/g w.w. cell pellet or 6,809 pg/10 6 cells in human) and in hepatocytes (414.5 ng/g w.w. cell pellet or 14,005 pg/10 6 cells in dog and 813.5 ng/g w.w. cell pellet or 13,780 pg/10 6 cells in human). Lower curcumin levels were measured in red blood cells (dog: 78.4 ng/g w.w. cell pellet or 7.2 pg/10 6 cells, human: 201.5 ng/g w.w. cell pellet or 18.6 pg/10 6 cells). A decrease in the medium concentration of curcumin was observed in red blood cells and hepatocytes, but not in PBMCs. Red blood cell levels of THC were ~5-fold higher in dog compared to human and similar between dog and human for hepatocytes and PBMCs. The ratio of THC to curcumin found in the red blood cell medium following incubation was 6.3 for dog compared to 0.006 for human, while for PBMCs and hepatocytes the ratio of THC to curcumin in the medium did not display such marked species differences. There was an excellent correlation between the in vitro disposition of curcumin and THC following incubation with red blood cells and in vivo plasma levels of curcumin and THC in dog and human following intravenous infusion. The disposition of curcumin in blood cells is, therefore, species-dependent and of pharmacokinetic relevance. Copyright© 2017, International Institute of Anticancer Research (Dr. George J. Delinasios), All rights reserved.

Stability of oxidized iron species and the redox budget of slab-derived fluids

Science.gov (United States)

Sanchez-Valle, C.; Hin, R.; Testemale, D.; Borca, C.; Grolimund, D.

2017-12-01

The high oxidation state of subduction zone magmas compared to magmas from other locations might result from the influx of oxidized fluid from the subducted oceanic plate into the mantle wedge. However, the nature of the chemical agent(s) and the mechanism responsible for the transfer of the oxidized signature from the slab to the mantle wedge remains poorly understood. In this contribution, we will discuss the oxidizing capacity of slab-derived fluids in the light of experimental results of the solubility and speciation of iron in high-pressure fluids that mimic the slab flux. Iron-bearing mineral assemblages were equilibrated with chlorinated aqueous fluids and hydrous granitic melts at different oxygen fugacities relevant for the present day crust/mantle. The concentration of iron and the distribution of stability of oxidized iron species were monitored up to 2.5 GPa and 800 °C using a combination of diamond trap experiments and XANES measurements in diamond anvil cells. The results illustrate the role of coordination chemistry involving halogen and polymerized species in the stability of oxidized iron in the fluids. The concentration of Fe3+ in the fluids progressively decreases as temperature increases, regardless of fluid composition and pressure. This implies that the fluid capacity to transport Fe3+ at high temperature may be limited, even at the redox conditions relevant for the present day crust and mantle. With the new experimental results, we place constrains on the oxidizing capacity of Fe-bearing metasomatic fluids and discuss the transfer of the oxidizing signature and the conditions for the genesis of oxidized arc magmas.

Microfabricated Chemical Sensors for Aerospace Fire Detection Applications

Science.gov (United States)

Hunter, Gary W.; Neudeck, Philip G.; Fralick, Gustave; Thomas, Valarie; Makel, D.; Liu, C. C.; Ward, B.; Wu, Q. H.

2001-01-01

The detection of fires on-board commercial aircraft is extremely important for safety reasons. Although dependable fire detection equipment presently exists within the cabin, detection of fire within the cargo hold has been less reliable and susceptible to false alarms. A second, independent method of fire detection to complement the conventional smoke detection techniques, such as the measurement of chemical species indicative of a fire, will help reduce false alarms and improve aircraft safety. Although many chemical species are indicative of a fire, two species of particular interest are CO and CO2. This paper discusses microfabricated chemical sensor development tailored to meet the needs of fire safety applications. This development is based on progress in three types of technology: 1) Micromachining and microfabrication (Microsystem) technology to fabricate miniaturized sensors. 2) The use of nanocrystalline materials to develop sensors with improved stability combined with higher sensitivity. 3) The development of high temperature semiconductors, especially silicon carbide. The individual sensor being developed and their level of maturity will be presented.

Chemical variation in a dominant tree species: population divergence, selection and genetic stability across environments.

Directory of Open Access Journals (Sweden)

Julianne M O'Reilly-Wapstra

Full Text Available Understanding among and within population genetic variation of ecologically important plant traits provides insight into the potential evolutionary processes affecting those traits. The strength and consistency of selection driving variability in traits would be affected by plasticity in differences among genotypes across environments (G×E. We investigated population divergence, selection and environmental plasticity of foliar plant secondary metabolites (PSMs in a dominant tree species, Eucalyptus globulus. Using two common garden trials we examined variation in PSMs at multiple genetic scales; among 12 populations covering the full geographic range of the species and among up to 60 families within populations. Significant genetic variation in the expression of many PSMs resides both among and within populations of E. globulus with moderate (e.g., sideroxylonal A h(2op = 0.24 to high (e.g., macrocarpal G h(2op = 0.48 narrow sense heritabilities and high coefficients of additive genetic variation estimated for some compounds. A comparison of Qst and Fst estimates suggest that variability in some of these traits may be due to selection. Importantly, there was no genetic by environment interaction in the expression of any of the quantitative chemical traits despite often significant site effects. These results provide evidence that natural selection has contributed to population divergence in PSMs in E. globulus, and identifies the formylated phloroglucinol compounds (particularly sideroxylonal and a dominant oil, 1,8-cineole, as candidates for traits whose genetic architecture has been shaped by divergent selection. Additionally, as the genetic differences in these PSMs that influence community phenotypes is stable across environments, the role of plant genotype in structuring communities is strengthened and these genotypic differences may be relatively stable under global environmental changes.

Theoretical studies of chemical reaction dynamics

Energy Technology Data Exchange (ETDEWEB)

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

1993-12-01

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

A kinetic and equilibrium analysis of silicon carbide chemical vapor deposition on monofilaments

Science.gov (United States)

Gokoglu, S. A.; Kuczmarski, M. A.

1993-01-01

Chemical kinetics of atmospheric pressure silicon carbide (SiC) chemical vapor deposition (CVD) from dilute silane and propane source gases in hydrogen is numerically analyzed in a cylindrical upflow reactor designed for CVD on monofilaments. The chemical composition of the SiC deposit is assessed both from the calculated total fluxes of carbon and silicon and from chemical equilibrium considerations for the prevailing temperatures and species concentrations at and along the filament surface. The effects of gas and surface chemistry on the evolution of major gas phase species are considered in the analysis.

A numerical analysis for non-linear radiation in MHD flow around a cylindrical surface with chemically reactive species

Directory of Open Access Journals (Sweden)

Junaid Ahmad Khan

2018-03-01

Full Text Available Boundary layer flow around a stretchable rough cylinder is modeled by taking into account boundary slip and transverse magnetic field effects. The main concern is to resolve heat/mass transfer problem considering non-linear radiative heat transfer and temperature/concentration jump aspects. Using conventional similarity approach, the equations of motion and heat transfer are converted into a boundary value problem whose solution is computed by shooting method for broad range of slip coefficients. The proposed numerical scheme appears to improve as the strengths of magnetic field and slip coefficients are enhanced. Axial velocity and temperature are considerably influenced by a parameter M which is inversely proportional to the radius of cylinder. A significant change in temperature profile is depicted for growing wall to ambient temperature ratio. Relevant physical quantities such as wall shear stress, local Nusselt number and local Sherwood number are elucidated in detail. Keywords: Stretchable boundary, Thermal radiation, Chemical reaction, Mathematical modeling, Non-linear differential system, Mass transfer

Consequences of plant-chemical diversity for domestic goat food preference in Mediterranean forests

Science.gov (United States)

Baraza, Elena; Hódar, José A.; Zamora, Regino

2009-01-01

The domestic goat, a major herbivore in the Mediterranean basin, has demonstrated a strong ability to adapt its feeding behaviour to the chemical characteristics of food, selecting plants according to their nutritive quality. In this study, we determine some chemical characteristics related to plant nutritional quality and its variability among and within five tree species, these being the main components of the mountain forests of SE Spain, with the aim of determining their influence on food selection by this generalist herbivore. We analyse nitrogen, total phenols, condensed tannins and fibre concentration as an indicator of the nutritive value of the different trees. To determine the preference by the domestic goat, we performed two types of feeding-choice assays, where goats had to select between different species or between branches of the same species but from trees of different nutritional quality. The analysis of the plant nutritional quality showed significant differences in the chemical characteristics between species, and a high variability within species. However, when faced with different tree species, the domestic goat selected some of them but showed striking individual differences between goats. When selecting between trees of the same species, the goats showed no differential selection. This limited effect of chemical plant characteristics, together with the variability in foraging behaviour, resulted in a widespread consumption of diverse plant species, which can potentially modulate the effect of the goat on vegetation composition, and open the way for the conservation of traditional livestock grazing on natural protected areas.

Mercury from combustion sources: a review of the chemical species emitted and their transport in the atmosphere

International Nuclear Information System (INIS)

Carpi, A.

1997-01-01

Different species of mercury have different physical/chemical properties and thus behave quite differentially in air pollution control equipment and in the atmosphere. In general, emission of mercury from coal combustion sources are approximately 20-50% elemental mercury (Hg 0 ) and 50-80% divalent mercury (Hg(II)), which may be predominantly HgCl 2 . Emissions of mercury from waste incinerators are approximately 10-20% Hg 0 and 75-85% Hg(II). The partitioning of mercury in flue gas between the elemental and divalent forms may be dependent on the concentration of particulate carbon, HCl and other pollutants in the stack emissions. The emission of mercury from combustion facilities depends on the species in the exhaust stream and the type of air pollution control equipment used at the source. Air pollution control equipment for mercury removal at combustion facilities includes activated carbon injection, sodium sulfide injection and wet lime/limestone flue gas desulfurization. White Hg(II) is water-soluble and may be removed form the atmosphere by wet and dry deposition close to the combustion sources, the combination of a high vapor pressure and low water-solubility facilitate the long-range transport of Hg 0 in the atmosphere. Background mercury in the atmosphere is predominantly Hg 0 . Elemental mercury is eventually removed from the atmosphere by dry deposition onto surfaces and by wet deposition after oxidation to water-soluble, divalent mercury. 62 refs., 2 figs., 1 tab

Chemical Thermodynamics Vol. 12 - Chemical Thermodynamics of tin

International Nuclear Information System (INIS)

Gamsjaeger, Heinz; GAJDA, Tamas; Sangster, James; Saxena, Surendra K.; Voigt, Wolfgang; Perrone, Jane

2012-01-01

This is the 12th volume of a series of expert reviews of the chemical thermodynamics of key chemical elements in nuclear technology and waste management. This volume is devoted to the inorganic species and compounds of tin. The tables contained in Chapters III and IV list the currently selected thermodynamic values within the NEA TDB Project. The database system developed at the NEA Data Bank, see Section II.6, assures consistency among all the selected and auxiliary data sets. The recommended thermodynamic data are the result of a critical assessment of published information. The values in the auxiliary data set, see Tables IV-1 and IV-2, have been adopted from CODATA key values or have been critically reviewed in this or earlier volumes of the series

The source, discharge, and chemical characteristics of selected springs, and the abundance and health of associated endemic anuran species in the Mojave network parks

Science.gov (United States)

Schroeder, Roy A.; Smith, Gregory A.; Martin, Peter; Flint, Alan L.; Gallegos, Elizabeth; Fisher, Robert N.; Martin, Peter; Schroeder, Roy A.

2015-01-01

Hydrological and biological investigations were done during 2005 and 2006 in cooperation with the U.S. National Park Service to investigate the source, discharge, and chemical characteristics of selected springs and the abundance and health of endemic anuran (frog and toad) species at Darwin Falls in Death Valley National Park, Piute Spring in Mojave National Preserve, and Fortynine Palms Oasis in Joshua Tree National Park. Discharge from the springs at these sites sustains isolated riparian habitats in the normally dry Mojave Desert. Data were collected on water quantity (discharge) and quality, air and water temperature, and abundance and health of endemic anuran species. In addition, a single survey of the abundance and health of endemic anuran species was completed at Rattlesnake Canyon in Joshua Tree National Park. Results from this study were compared to limited historical data, where they exist, and can provide a baseline for future hydrological and biological investigations to evaluate the health and sustainability of the resource and its response to changing climate and increasing human use.

Streptococcus pyogenes biofilms – formation, biology,and clinical relevance

Directory of Open Access Journals (Sweden)

Tomas eFiedler

2015-02-01

Full Text Available Streptococcus pyogenes (group A streptococci, GAS is an exclusive human bacterial pathogen. The virulence potential of this species is tremendous. Interactions with humans range from asymptomatic carriage over mild and superficial infections of skin and mucosal membranes up to systemic purulent toxic-invasive disease manifestations. Particularly the latter are a severe threat for predisposed patients and lead to significant death tolls worldwide. This places GAS among the most important Gram-positive bacterial pathogens. Many recent reviews have highlighted the GAS repertoire of virulence factors, regulators and regulatory circuits/networks that enable GAS to colonize the host and to deal with all levels of the host immune defense. This covers in vitro and in vivo studies, including animal infection studies based on mice and more relevant, macaque monkeys. It is now appreciated that GAS, like many other bacterial species, do not necessarily exclusively live in a planktonic lifestyle. GAS is capable of microcolony and biofilm formation on host cells and tissues. We are now beginning to understand that this feature significantly contributes to GAS pathogenesis. In this review we will discuss the current knowledge on GAS biofilm formation, the biofilm-phenotype associated virulence factors, regulatory aspects of biofilm formation, the clinical relevance, and finally contemporary treatment regimens and future treatment options.

Energetic materials standards – Chemical compatibility

NARCIS (Netherlands)

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

2014-01-01

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

Coupling between solute transport and chemical reactions models

International Nuclear Information System (INIS)

Samper, J.; Ajora, C.

1993-01-01

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

Contribution to chemical-mineralogical study of carbonatites