WorldWideScience

Sample records for chemically correct natural

  1. Chemical and natural stressors combined:

    DEFF Research Database (Denmark)

    Gergs, André; Zenker, Armin; Grimm, Volker

    2013-01-01

    In addition to natural stressors, populations are increasingly exposed to chemical pollutants released into the environment. We experimentally demonstrate the loss of resilience for Daphnia magna populations that are exposed to a combination of natural and chemical stressors even though effects...... demonstrates that population size can be a poor endpoint for risk assessments of chemicals and that ignoring disturbance interactions can lead to severe underestimation of extinction risk...

  2. Natural radiation, nuclear wastes and chemical pollutants

    International Nuclear Information System (INIS)

    Christensen, T.; Ehdwall, H.; Stranden, E.

    1990-01-01

    Doses from natural radiation to the population in the Nordic Countries are summarized and man made modifications of the natural radiation environment are discussed. An account is given of the radiological consequences of energy conservation by reduced ventilation. Risks from possible future releases of radioactivity from final repositories of spent nuclear fuel are compared to the risks from present natural radioactivity in the environment. The possibilities for comparison between chemical and radiological risks are discussed. (author) 13 refs

  3. Chemical modifications of liquid natural rubber

    Science.gov (United States)

    Azhar, Nur Hanis Adila; Rasid, Hamizah Md; Yusoff, Siti Fairus M.

    2016-11-01

    Liquid natural rubber (LNR) was synthesized via photosentisized degradation of natural rubber (NR). LNR was modified into epoxidized liquid natural rubber (LENR) and hydroxylated liquid natural rubber (LNR-OH) using Na2WO4/CH3COOH/H2O2 catalytic system. Chemical structures of LNR and modified LNRs were characterized using Attenuated Total Reflectance Fourier Transform Infrared (ATR-FTIR) and 1H Nuclear Magnetic Resonance (NMR) spectroscopies. Integration of 1H NMR was used to calculate the epoxy content (%) of LENR. 1H NMR detected the formation of LNR-OH after prolonged heating and increased of catalyst in oxidation reaction.

  4. Developing Formal Correctness Properties from Natural Language Requirements

    Science.gov (United States)

    Nikora, Allen P.

    2006-01-01

    This viewgraph presentation reviews the rationale of the program to transform natural language specifications into formal notation.Specifically, automate generation of Linear Temporal Logic (LTL)correctness properties from natural language temporal specifications. There are several reasons for this approach (1) Model-based techniques becoming more widely accepted, (2) Analytical verification techniques (e.g., model checking, theorem proving) significantly more effective at detecting types of specification design errors (e.g., race conditions, deadlock) than manual inspection, (3) Many requirements still written in natural language, which results in a high learning curve for specification languages, associated tools and increased schedule and budget pressure on projects reduce training opportunities for engineers, and (4) Formulation of correctness properties for system models can be a difficult problem. This has relevance to NASA in that it would simplify development of formal correctness properties, lead to more widespread use of model-based specification, design techniques, assist in earlier identification of defects and reduce residual defect content for space mission software systems. The presentation also discusses: potential applications, accomplishments and/or technological transfer potential and the next steps.

  5. Chemical cleaning's role in tube failure prevention and correction

    International Nuclear Information System (INIS)

    Shields, K.J.; Dooley, R.B.

    2002-01-01

    Properly applied, chemical cleaning is a valuable tool used to prevent tube failures involving overheating and corrosion due to waterside deposits. In many cases, however, cleaning becomes yet an additional cost associated with correction of tube failure incidents. Discussion is focused on approaches taken to appraise tube waterside cleanliness and determine the need to clean, as typically practiced in conventional fossil plants. Also presented is an assessment of the suitability and limitations of these approaches to plants with heat recovery steam generator (HRSG) units. (orig.)

  6. Aesthetic acceptance equals to nature's compensation plus surgical correction.

    Science.gov (United States)

    Vadgaonkar, Vaishali; Gangurde, Parag; Karandikar, Anita; Mahajan, Nikhil

    2013-07-25

    Orthognathic surgery has become an acceptable treatment plan for patients with various maxillofacial deformities. The rehabilitation of severe class III adult patients requires a complex interdisciplinary orthodontic and orthognathic approach. This presentation aims to show a case of combination of camouflage and bilateral sagittal split osteotomy (BSSO).Camouflage in maxillary arch was accepted after analysing visual treatment objective (VTO) and pleasing soft tissue compensation which gave us the clue to go ahead for surgical correction of excess mandibular length to achieve best aesthetic outcome while maintaining nature's compensation in upper arch.

  7. Chemical speciation of Pu in natural waters

    International Nuclear Information System (INIS)

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

    1983-01-01

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

  8. Sequence correction of random coil chemical shifts: correlation between neighbor correction factors and changes in the Ramachandran distribution

    DEFF Research Database (Denmark)

    Kjærgaard, Magnus; Poulsen, Flemming Martin

    2011-01-01

    Random coil chemical shifts are necessary for secondary chemical shift analysis, which is the main NMR method for identification of secondary structure in proteins. One of the largest challenges in the determination of random coil chemical shifts is accounting for the effect of neighboring residues....... The contributions from the neighboring residues are typically removed by using neighbor correction factors determined based on each residue's effect on glycine chemical shifts. Due to its unusual conformational freedom, glycine may be particularly unrepresentative for the remaining residue types. In this study, we...... in the conformational ensemble are an important source of neighbor effects in disordered proteins. Glutamine derived random coil chemical shifts and correction factors modestly improve our ability to predict (13)C chemical shifts of intrinsically disordered proteins compared to existing datasets, and may thus improve...

  9. Physical and chemical investigations on natural dyes

    Science.gov (United States)

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

    2010-09-01

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

  10. Chemical deacetylation natural xanthan (Jungbunzlauer®

    Directory of Open Access Journals (Sweden)

    Ellen P. Pinto

    2011-01-01

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

  11. Correction

    DEFF Research Database (Denmark)

    Pinkevych, Mykola; Cromer, Deborah; Tolstrup, Martin

    2016-01-01

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

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

    Science.gov (United States)

    Eastwell, Peter

    2012-01-01

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

  13. Chemical Biology of Microbial Anticancer Natural Products

    DEFF Research Database (Denmark)

    Bladt, Tanja Thorskov; Gotfredsen, Charlotte Held

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

  14. Atlantic Forest. A natural reservoir of chemical elements

    International Nuclear Information System (INIS)

    De Franca, E.J.; De Nadai Fernandes, E.A.; Bacchi, M.A.; Elias, C.

    2008-01-01

    The accumulation of chemical elements in biological compartments is one of the strategies of tropical species to adapt to a low-nutrient soil. This study focuses on the Atlantic Forest because of its eco-environmental importance as a natural reservoir of chemical elements. About 20 elements were determined by INAA in leaf, soil, litter and epiphyte compartments. There was no seasonality for chemical element concentrations in leaves, which probably indicated the maintenance of chemical elements in this compartment. Considering the estimated quantities, past deforestation events could have released large amounts of chemical elements to the environment. (author)

  15. Linking neuroethology to the chemical biology of natural products

    DEFF Research Database (Denmark)

    Olivera, Baldomero M.; Raghuraman, Shrinivasan; Schmidt, Eric W.

    2017-01-01

    From a biological perspective, a natural product can be defined as a compound evolved by an organism for chemical interactions with another organism including prey, predator, competitor, pathogen, symbiont or host. Natural products hold tremendous potential as drug leads and have been extensively...... a better understanding of the evolution, biology and biochemistry of natural products will facilitate both neuroscience and the potential for drug leads. The larger goal is to establish a new sub-discipline in the broader field of neuroethology that we refer to as “Chemical Neuroethology”, linking...... the substantial work carried out by chemists on natural products with accelerating advances in neuroethology....

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

    African Journals Online (AJOL)

    STORAGESEVER

    2008-06-17

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

  17. 75 FR 55823 - Notice of Inventory Completion: Denver Museum of Nature & Science, Denver, CO; Correction

    Science.gov (United States)

    2010-09-14

    ... DEPARTMENT OF THE INTERIOR National Park Service Notice of Inventory Completion: Denver Museum of Nature & Science, Denver, CO; Correction AGENCY: National Park Service, Interior. ACTION: Notice; correction. Notice is here given in accordance with the Native American Graves Protection and Repatriation Act (NAGPRA), 25 U.S.C. 3003, of the...

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

    African Journals Online (AJOL)

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

  19. Zinc in soybeans. Chemical nature and bioavilability

    International Nuclear Information System (INIS)

    Khan, A.

    1987-01-01

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

  20. Natural radiation, radioactive waste and chemical risk determinants

    International Nuclear Information System (INIS)

    Christensen, T.; Mustonen, R.; Edhwall, H.; Hansen, H.; Soerensen, A.; Stranden, E.

    1990-01-01

    Doses from natural radiation to the population in the Nordic countries are summarized, and man-made modifications of the natural radiation environment are discussed. An account is given for the radiological concequences of energy concervation by reduced ventilation. Risks from possible future releases of radioactivity from final depositories of spent nuclear fuel are compared to the risks from present natural radioactivity in the environment. The possibilities for comparison between chemical and radiological risks are discussed. 104 refs., 36 figs., 47 tabs

  1. Natural isotope correction of MS/MS measurements for metabolomics and (13)C fluxomics.

    Science.gov (United States)

    Niedenführ, Sebastian; ten Pierick, Angela; van Dam, Patricia T N; Suarez-Mendez, Camilo A; Nöh, Katharina; Wahl, S Aljoscha

    2016-05-01

    Fluxomics and metabolomics are crucial tools for metabolic engineering and biomedical analysis to determine the in vivo cellular state. Especially, the application of (13)C isotopes allows comprehensive insights into the functional operation of cellular metabolism. Compared to single MS, tandem mass spectrometry (MS/MS) provides more detailed and accurate measurements of the metabolite enrichment patterns (tandem mass isotopomers), increasing the accuracy of metabolite concentration measurements and metabolic flux estimation. MS-type data from isotope labeling experiments is biased by naturally occurring stable isotopes (C, H, N, O, etc.). In particular, GC-MS(/MS) requires derivatization for the usually non-volatile intracellular metabolites introducing additional natural isotopes leading to measurements that do not directly represent the carbon labeling distribution. To make full use of LC- and GC-MS/MS mass isotopomer measurements, the influence of natural isotopes has to be eliminated (corrected). Our correction approach is analyzed for the two most common applications; (13)C fluxomics and isotope dilution mass spectrometry (IDMS) based metabolomics. Natural isotopes can have an impact on the calculated flux distribution which strongly depends on the substrate labeling and the actual flux distribution. Second, we show that in IDMS based metabolomics natural isotopes lead to underestimated concentrations that can and should be corrected with a nonlinear calibration. Our simulations indicate that the correction for natural abundance in isotope based fluxomics and quantitative metabolomics is essential for correct data interpretation. © 2015 Wiley Periodicals, Inc.

  2. Empirical Correction for Differences in Chemical Exchange Rates in Hydrogen Exchange-Mass Spectrometry Measurements.

    Science.gov (United States)

    Toth, Ronald T; Mills, Brittney J; Joshi, Sangeeta B; Esfandiary, Reza; Bishop, Steven M; Middaugh, C Russell; Volkin, David B; Weis, David D

    2017-09-05

    A barrier to the use of hydrogen exchange-mass spectrometry (HX-MS) in many contexts, especially analytical characterization of various protein therapeutic candidates, is that differences in temperature, pH, ionic strength, buffering agent, or other additives can alter chemical exchange rates, making HX data gathered under differing solution conditions difficult to compare. Here, we present data demonstrating that HX chemical exchange rates can be substantially altered not only by the well-established variables of temperature and pH but also by additives including arginine, guanidine, methionine, and thiocyanate. To compensate for these additive effects, we have developed an empirical method to correct the hydrogen-exchange data for these differences. First, differences in chemical exchange rates are measured by use of an unstructured reporter peptide, YPI. An empirical chemical exchange correction factor, determined by use of the HX data from the reporter peptide, is then applied to the HX measurements obtained from a protein of interest under different solution conditions. We demonstrate that the correction is experimentally sound through simulation and in a proof-of-concept experiment using unstructured peptides under slow-exchange conditions (pD 4.5 at ambient temperature). To illustrate its utility, we applied the correction to HX-MS excipient screening data collected for a pharmaceutically relevant IgG4 mAb being characterized to determine the effects of different formulations on backbone dynamics.

  3. Study and interpretation of the chemical characteristics of natural water

    Science.gov (United States)

    Hem, John David

    1985-01-01

    The chemical composition of natural water is derived from many different sources of solutes, including gases and aerosols from the atmosphere, weathering and erosion of rocks and soil, solution or precipitation reactions occurring below the land surface, and cultural effects resulting from human activities. Broad interrelationships among these processes and their effects can be discerned by application of principles of chemical thermodynamics. Some of the processes of solution or precipitation of minerals can be closely evaluated by means of principles of chemical equilibrium, including the law of mass action and the Nernst equation. Other processes are irreversible and require consideration of reaction mechanisms and rates. The chemical composition of the crustal rocks of the Earth and the composition of the ocean and the atmosphere are significant in evaluating sources of solutes in natural freshwater.

  4. Novel Principles and Techniques to Create a Natural Design in Female Hairline Correction Surgery.

    Science.gov (United States)

    Park, Jae Hyun

    2015-12-01

    Female hairline correction surgery is becoming increasingly popular. However, no guidelines or methods of female hairline design have been introduced to date. The purpose of this study was to create an initial framework based on the novel principles of female hairline design and then use artistic ability and experience to fine tune this framework. An understanding of the concept of 5 areas (frontal area, frontotemporal recess area, temporal peak, infratemple area, and sideburns) and 5 points (C, A, B, T, and S) is required for female hairline correction surgery (the 5A5P principle). The general concepts of female hairline correction surgery and natural design methods are, herein, explained with a focus on the correlations between these 5 areas and 5 points. A natural and aesthetic female hairline can be created with application of the above-mentioned concepts. The 5A5P principle of forming the female hairline is very useful in female hairline correction surgery.

  5. A procedure to validate and correct the {sup 13}C chemical shift calibration of RNA datasets

    Energy Technology Data Exchange (ETDEWEB)

    Aeschbacher, Thomas; Schubert, Mario, E-mail: schubert@mol.biol.ethz.ch; Allain, Frederic H.-T., E-mail: allain@mol.biol.ethz.ch [ETH Zuerich, Institute for Molecular Biology and Biophysics (Switzerland)

    2012-02-15

    Chemical shifts reflect the structural environment of a certain nucleus and can be used to extract structural and dynamic information. Proper calibration is indispensable to extract such information from chemical shifts. Whereas a variety of procedures exist to verify the chemical shift calibration for proteins, no such procedure is available for RNAs to date. We present here a procedure to analyze and correct the calibration of {sup 13}C NMR data of RNAs. Our procedure uses five {sup 13}C chemical shifts as a reference, each of them found in a narrow shift range in most datasets deposited in the Biological Magnetic Resonance Bank. In 49 datasets we could evaluate the {sup 13}C calibration and detect errors or inconsistencies in RNA {sup 13}C chemical shifts based on these chemical shift reference values. More than half of the datasets (27 out of those 49) were found to be improperly referenced or contained inconsistencies. This large inconsistency rate possibly explains that no clear structure-{sup 13}C chemical shift relationship has emerged for RNA so far. We were able to recalibrate or correct 17 datasets resulting in 39 usable {sup 13}C datasets. 6 new datasets from our lab were used to verify our method increasing the database to 45 usable datasets. We can now search for structure-chemical shift relationships with this improved list of {sup 13}C chemical shift data. This is demonstrated by a clear relationship between ribose {sup 13}C shifts and the sugar pucker, which can be used to predict a C2 Prime - or C3 Prime -endo conformation of the ribose with high accuracy. The improved quality of the chemical shift data allows statistical analysis with the potential to facilitate assignment procedures, and the extraction of restraints for structure calculations of RNA.

  6. "Human Nature": Chemical Engineering Students' Ideas about Human Relationships with the Natural World

    Science.gov (United States)

    Goldman, Daphne; Assaraf, Orit Ben-Zvi; Shemesh, Julia

    2014-01-01

    While importance of environmental ethics, as a component of sustainable development, in preparing engineers is widely acknowledged, little research has addressed chemical engineers' environmental concerns. This study aimed to address this void by exploring chemical engineering students' values regarding human-nature relationships. The study was…

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

    Indian Academy of Sciences (India)

    12

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

  8. Correction

    CERN Multimedia

    2002-01-01

    Tile Calorimeter modules stored at CERN. The larger modules belong to the Barrel, whereas the smaller ones are for the two Extended Barrels. (The article was about the completion of the 64 modules for one of the latter.) The photo on the first page of the Bulletin n°26/2002, from 24 July 2002, illustrating the article «The ATLAS Tile Calorimeter gets into shape» was published with a wrong caption. We would like to apologise for this mistake and so publish it again with the correct caption.

  9. Chemical behaviour of transuranic elements in the natural environment

    International Nuclear Information System (INIS)

    Kim, J.I.

    1991-01-01

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

  10. Chemical Affinity as Material Agency for Naturalizing Contextual Meaning

    Directory of Open Access Journals (Sweden)

    Koichiro Matsuno

    2012-01-01

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

  11. Correction

    Directory of Open Access Journals (Sweden)

    2012-01-01

    Full Text Available Regarding Gorelik, G., & Shackelford, T.K. (2011. Human sexual conflict from molecules to culture. Evolutionary Psychology, 9, 564–587: The authors wish to correct an omission in citation to the existing literature. In the final paragraph on p. 570, we neglected to cite Burch and Gallup (2006 [Burch, R. L., & Gallup, G. G., Jr. (2006. The psychobiology of human semen. In S. M. Platek & T. K. Shackelford (Eds., Female infidelity and paternal uncertainty (pp. 141–172. New York: Cambridge University Press.]. Burch and Gallup (2006 reviewed the relevant literature on FSH and LH discussed in this paragraph, and should have been cited accordingly. In addition, Burch and Gallup (2006 should have been cited as the originators of the hypothesis regarding the role of FSH and LH in the semen of rapists. The authors apologize for this oversight.

  12. Correction

    CERN Multimedia

    2002-01-01

    The photo on the second page of the Bulletin n°48/2002, from 25 November 2002, illustrating the article «Spanish Visit to CERN» was published with a wrong caption. We would like to apologise for this mistake and so publish it again with the correct caption.   The Spanish delegation, accompanied by Spanish scientists at CERN, also visited the LHC superconducting magnet test hall (photo). From left to right: Felix Rodriguez Mateos of CERN LHC Division, Josep Piqué i Camps, Spanish Minister of Science and Technology, César Dopazo, Director-General of CIEMAT (Spanish Research Centre for Energy, Environment and Technology), Juan Antonio Rubio, ETT Division Leader at CERN, Manuel Aguilar-Benitez, Spanish Delegate to Council, Manuel Delfino, IT Division Leader at CERN, and Gonzalo León, Secretary-General of Scientific Policy to the Minister.

  13. Correction

    Directory of Open Access Journals (Sweden)

    2014-01-01

    Full Text Available Regarding Tagler, M. J., and Jeffers, H. M. (2013. Sex differences in attitudes toward partner infidelity. Evolutionary Psychology, 11, 821–832: The authors wish to correct values in the originally published manuscript. Specifically, incorrect 95% confidence intervals around the Cohen's d values were reported on page 826 of the manuscript where we reported the within-sex simple effects for the significant Participant Sex × Infidelity Type interaction (first paragraph, and for attitudes toward partner infidelity (second paragraph. Corrected values are presented in bold below. The authors would like to thank Dr. Bernard Beins at Ithaca College for bringing these errors to our attention. Men rated sexual infidelity significantly more distressing (M = 4.69, SD = 0.74 than they rated emotional infidelity (M = 4.32, SD = 0.92, F(1, 322 = 23.96, p < .001, d = 0.44, 95% CI [0.23, 0.65], but there was little difference between women's ratings of sexual (M = 4.80, SD = 0.48 and emotional infidelity (M = 4.76, SD = 0.57, F(1, 322 = 0.48, p = .29, d = 0.08, 95% CI [−0.10, 0.26]. As expected, men rated sexual infidelity (M = 1.44, SD = 0.70 more negatively than they rated emotional infidelity (M = 2.66, SD = 1.37, F(1, 322 = 120.00, p < .001, d = 1.12, 95% CI [0.85, 1.39]. Although women also rated sexual infidelity (M = 1.40, SD = 0.62 more negatively than they rated emotional infidelity (M = 2.09, SD = 1.10, this difference was not as large and thus in the evolutionary theory supportive direction, F(1, 322 = 72.03, p < .001, d = 0.77, 95% CI [0.60, 0.94].

  14. On Neglecting Chemical Exchange Effects When Correcting in Vivo 31P MRS Data for Partial Saturation

    Science.gov (United States)

    Ouwerkerk, Ronald; Bottomley, Paul A.

    2001-02-01

    Signal acquisition in most MRS experiments requires a correction for partial saturation that is commonly based on a single exponential model for T1 that ignores effects of chemical exchange. We evaluated the errors in 31P MRS measurements introduced by this approximation in two-, three-, and four-site chemical exchange models under a range of flip-angles and pulse sequence repetition times (TR) that provide near-optimum signal-to-noise ratio (SNR). In two-site exchange, such as the creatine-kinase reaction involving phosphocreatine (PCr) and γ-ATP in human skeletal and cardiac muscle, errors in saturation factors were determined for the progressive saturation method and the dual-angle method of measuring T1. The analysis shows that these errors are negligible for the progressive saturation method if the observed T1 is derived from a three-parameter fit of the data. When T1 is measured with the dual-angle method, errors in saturation factors are less than 5% for all conceivable values of the chemical exchange rate and flip-angles that deliver useful SNR per unit time over the range T1/5 ≤ TR ≤ 2T1. Errors are also less than 5% for three- and four-site exchange when TR ≥ T1*/2, the so-called "intrinsic" T1's of the metabolites. The effect of changing metabolite concentrations and chemical exchange rates on observed T1's and saturation corrections was also examined with a three-site chemical exchange model involving ATP, PCr, and inorganic phosphate in skeletal muscle undergoing up to 95% PCr depletion. Although the observed T1's were dependent on metabolite concentrations, errors in saturation corrections for TR = 2 s could be kept within 5% for all exchanging metabolites using a simple interpolation of two dual-angle T1 measurements performed at the start and end of the experiment. Thus, the single-exponential model appears to be reasonably accurate for correcting 31P MRS data for partial saturation in the presence of chemical exchange. Even in systems where

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

    International Nuclear Information System (INIS)

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

    2009-01-01

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

  16. Natural Ores as Oxygen Carriers in Chemical Looping Combustion

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-08-01

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

  17. An electrochemical study of natural and chemically controlled eumelanin

    Directory of Open Access Journals (Sweden)

    Ri Xu

    2017-12-01

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

  18. An electrochemical study of natural and chemically controlled eumelanin

    Science.gov (United States)

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

    2017-12-01

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

  19. Natural mineral waters: chemical characteristics and health effects

    Science.gov (United States)

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

    2016-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2015-12-15

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

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

    Science.gov (United States)

    Huhta, James

    2011-01-01

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

  2. `Human nature': Chemical engineering students' ideas about human relationships with the natural world

    Science.gov (United States)

    Goldman, Daphne; Ben-Zvi Assaraf, Orit; Shemesh, Julia

    2014-05-01

    While importance of environmental ethics, as a component of sustainable development, in preparing engineers is widely acknowledged, little research has addressed chemical engineers' environmental concerns. This study aimed to address this void by exploring chemical engineering students' values regarding human-nature relationships. The study was conducted with 247 3rd-4th year chemical engineering students in Israeli Universities. It employed the New Ecological Paradigm (NEP)-questionnaire to which students added written explanations. Quantitative analysis of NEP-scale results shows that the students demonstrated moderately ecocentric orientation. Explanations to the NEP-items reveal diverse, ambivalent ideas regarding the notions embodied in the NEP, strong scientific orientation and reliance on technology for addressing environmental challenges. Endorsing sustainability implies that today's engineers be equipped with an ecological perspective. The capacity of Higher Education to enable engineers to develop dispositions about human-nature interrelationships requires adaptation of curricula towards multidisciplinary, integrative learning addressing social-political-economic-ethical perspectives, and implementing critical-thinking within the socio-scientific issues pedagogical approach.

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

    Science.gov (United States)

    Shafiey, Hassan; Gan, Xinjun; Waxman, David

    2017-11-01

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

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

    CERN Document Server

    Tien, J L

    1999-01-01

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

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

    Science.gov (United States)

    Hartwell, Supaporn Kradtap

    2012-01-01

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

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

    CSIR Research Space (South Africa)

    Jayaramudu, J

    2014-07-01

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

  7. Relative Configuration of Natural Products Using NMR Chemical Shifts

    Science.gov (United States)

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

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

    Science.gov (United States)

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

  9. Natural Attenuation of the Persistent Chemical Warfare Agent ...

    Science.gov (United States)

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

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

    African Journals Online (AJOL)

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

  11. Chemical nature of catalysts of oxide nanoparticles in environment

    Indian Academy of Sciences (India)

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

  12. Chemical Interactions of Hydraulic Fracturing Biocides with Natural Pyrite

    Science.gov (United States)

    Consolazio, Nizette A.

    In conjunction with horizontal drilling, hydraulic fracturing or fracking has enabled the recovery of natural gas from low permeable shale formations. In addition to water, these fracking fluids employ proppants and up to 38 different chemical additives to improve the efficiency of the process. One important class of additives used in hydraulic fracturing is biocides. When applied appropriately, they limit the growth of harmful microorganisms within the well, saving energy producers 4.5 billion dollars each year. However, biocides or their harmful daughter products may return to the surface in produced water, which must then be appropriately stored, treated and disposed of. Little is known about the effect of mineral-fluid interactions on the fate of the biocides employed in hydraulic fracturing. In this study, we employed laboratory experiments to determine changes in the persistence and products of these biocides under controlled environments. While many minerals are present in shale formations, pyrite, FeS2(s) is particularly interesting because of its prevalence and reactivity. The FeII groups on the face of pyrite may be oxidized to form FeIII phases. Both of these surfaces have been shown to be reactive with organic compounds. Chlorinated compounds undergo redox reactions at the pyrite-fluid interface, and sulfur-containing compounds undergo exceptionally strong sorption to both pristine and oxidized pyrite. This mineral may significantly influence the degradation of biocides in the Marcellus Shale. Thus, the overall goal of this study was to understand the effect of pyrite on biocide reactivity in hydraulic fracturing, focusing on the influence of pyrite on specific functional groups. The first specific objective was to demonstrate the effect of pyrite and pyrite reaction products on the degradation of the bromine-containing biocide, DBNPA. On the addition of pyrite to DBNPA, degradation rates of the doubly brominated compound were found to increase

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

    Science.gov (United States)

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

  14. Isotopic composition of chemical elements in natural cycles

    International Nuclear Information System (INIS)

    Wetzel, K.

    1977-12-01

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

  15. Corrective action strategy for single-shell tanks containing organic chemicals

    International Nuclear Information System (INIS)

    Turner, D.A.

    1993-08-01

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

  16. Chemical and structural characterization of natural phosphate of ...

    African Journals Online (AJOL)

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

  17. PERFORMANCE IMPROVEMENT OF A CHEMICAL REACTOR BY NONLINEAR NATURAL OSCILLATIONS

    NARCIS (Netherlands)

    RAY, AK

    1995-01-01

    The dynamic behaviour of two coupled continuous stirred tank reactors in sequence is studied when the first reactor is being operated under limit cycle regimes producing self-sustained natural oscillations. The periodic output from the first reactor is then used as a forced input into the second

  18. Chemical nature and distribution of calcium compounds in radiolucent gallstones

    International Nuclear Information System (INIS)

    Agarwal, D.K.; Choudhuri, G.; Kumar, J.

    1993-01-01

    A high failure rate for radiolucent cholesterol gallstones to dissolve with oral bile acids may be due to the presence of insoluble calcium compounds. Twenty sets of radiolucent gallstones, 7-20 mm in diameter, obtained from 20 patients undergoing cholecystectomy, were cut, and the outer surface, outer rim, middle portion, and central core areas were scanned for calcium by energy-dispersive X-ray microanalysis (EDX) and scanning electron microscopy (SEM). Scrapings from the four areas of each stone were analysed by infrared spectroscopy. A sample of the crushed stone was used for chemical estimation of cholesterol. 11 of the 20 cholesterol stones showed presence of calcium by EDX; the distribution was peripheral in 5, homogeneous in 4, and central in 2. The chemical compound was calcium bilirubinate in 10 and calcium carbonate in 8 stones. Calcium compounds are present in a high proportion of radiolucent gallstones considered suitable for chemodissolution by conventional criteria. Their unrecognized presence may explain the high failure rate of such stones to respond to medical therapy. 20 refs., 3 figs

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

    Science.gov (United States)

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

    2017-08-16

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

  20. Isolation of plutonium physical--chemical states from natural waters

    International Nuclear Information System (INIS)

    Weimer, W.C.

    1978-08-01

    The purpose of this research program was to evaluate the feasibility, on a bench scale, of methods for preconcentrating selectively individual plutonium forms from very dilute natural water samples, and to apply these results to use with the Battelle large volume water sampler. From the results of the current investigations, several alternative water sampling strategies have been recommended. The preferred water sampling technique has been field tested at several groundwater wells in the 200 East and 200 West areas of the U.S. Department of Energy Hanford Reservation. These laboratory investigations, in combination with field testing of the proposed water sampling techniques, have yielded the following conclusions: (1) The use of polypropylene microporous filters (0.04μ pore size) in conjunction with glass fiber filters (3.0μ pore size) enables the characterization of two size fractions of particulate plutonium forms in groundwater samples. Those species which pass the microporous polypropylene filters are considered to be in solution. (2) The sorption and ion exchange media evaluated do not show the selectivity necessary to allow preconcentration of individual plutonium forms from natural water samples by any of these media beds under the conditions evaluated. (3) Al 2 O 3 is the most effective sorption media that was examined for removing any plutonium species from natural water samples at neutral pH values. On the basis of these investigations, a standard field testing methodology has been proposed for sampling ground waters near nuclear waste management areas. Additional laboratory evaluations of plutonium species interactions with sorption and ion exchange media have also been recommended

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

    Science.gov (United States)

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

    2016-03-08

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

  2. Understanding the triple nature of the chemical bond on submicroscopic level

    OpenAIRE

    Klun, Tina

    2017-01-01

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

  3. Nature of chemical bond through positron angular correlation

    International Nuclear Information System (INIS)

    Ramasamy, S.; Nagarajan, T.

    1979-01-01

    Two photon angular distribution of positron annihilation is measured for compounds (1) m- and (2) p-nitroanilines, (3) m- and (4) p-methylsulphonyl-N, N-dimethylanilines and (5) p-phenylthio- and (6) p-phenoxyanilines in order to investigate the phenomenon of resonance and the involvement of d-orbitals of sulphur in chemical bonding. The FWHM is the same (10.8 mrad) for compounds (1) and (2) indicating that the resonance in the p-isomer does not change the annihilation characteristic much. The measured FWHM (9.4 mrad) for compound (4) is much broader than that of compound (3) (FWHM = 7.7 mrad). In the case of p-isomer, there is the involvement of d-orbitals of sulphur in bond formation. FWHM for compounds (5) and (6) are almost same (8.4 mrad). In this pair the only difference is that the sulphur in one case is replaced by oxygen in the other. Since there is not enough scope for excess electrons to be accomodated at oxygen or sulphur, there is no preferential annihilation of positron at these centres. (auth.)

  4. Chemical speciation and adsorption behavior of plutonium in natural waters

    International Nuclear Information System (INIS)

    Sanchez, A.L.

    1983-01-01

    Dissolved Pu profiles in two partially anoxic basins--Saanich Inlet, an intermittently anoxic marine fiord in Vancouver Island, British Columbia, and Soap Lake, a saline, alkaline lake in eastern Washington state, revealed minimum concentrations at the O 2 /H 2 S interface. The Pu concentrations in the anoxic waters of Saanich Inlet were less than the surface concentrations; however, in Soap Lake, a 15- to 50-fold increase in Pu concentration in the anoxic monimolimnion correlated with large increases in the major ions, total alkalinity, and dissolved organic carbon. Laboratory experiments were designed to investigate the effects of pH, ionic strength, dissolved organic carbon, and carbonate ions on the adsorption of tracer amounts of Pu IV and Pu V. The Pu-goethite adsorption system provided the data base for developing a thermodynamic model of Pu interaction with an oxide surface and with dissolved ligands, using the MINEQL computer program. Pu IV and Pu V interacted very differently with goethite, which is consistent with their different hydrolytic character. A reduction of Pu V to Pu IV occurred on the goethite surface and also on montmorillonite and silica gel, suggesting that redox transformations are an important aspect of Pu adsorption. Increases in ionic strength (up to 3 M NaCl or NaNO 3 ) did not affect Pu IV or V adsorption. In the presence of dissolved organic carbon (DOC), Pu V reduction to Pu IV occurred in solution. Pu IV adsorption on goethite decreased only 30% in the presence of 240 ppm of natural DOC from Soap Lake; however, carbonate anions inhibited Pu IV adsorption on goethite at the alkalinity levels (1500 meq/L total alkalinity, 0.57 M CO 3 =) measured for Soap Lake monimolimnion waters

  5. Anemonefishes rely on visual and chemical cues to correctly identify conspecifics

    Science.gov (United States)

    Johnston, Nicole K.; Dixson, Danielle L.

    2017-09-01

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

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

    Science.gov (United States)

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

    2012-01-01

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

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

    Science.gov (United States)

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

    2012-08-07

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

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

    Science.gov (United States)

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

    2018-04-01

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

  9. Determination of correction factors for borehole natural gamma-ray measurements by Monte Carlo simulations

    NARCIS (Netherlands)

    Maucec, M.; Hendriks, Peter; Limburg, J.; de Meijer, R. J.

    2009-01-01

    The analysis of natural gamma-ray spectra measured in boreholes has to take into account borehole parameters such as the presence of casings and borehole diameter. For large, high-efficiency gamma-ray detectors, such as BGO-based systems, which employ full-spectrum data analysis, corresponding

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

    Science.gov (United States)

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

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

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

    Science.gov (United States)

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

    2016-11-01

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

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

    Science.gov (United States)

    Schmitz, Gunnar; Hättig, Christof

    2016-12-21

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

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

    Science.gov (United States)

    Baek, Jieun; Choi, Yosoon

    2017-04-01

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

  14. Absorption and enhancement corrections using XRF analysis of some chemical samples

    International Nuclear Information System (INIS)

    Falih, Arwa Gaddal

    1996-06-01

    In this work samples containing Cr, Fe and Ni salts invarying ratios were prepared so as to represent approximately the concentrations of these elements in naturally occurring ore samples. These samples were then analyzed by EDXRF spectrometer system and the inter element effects (absorption and enhancement) were evaluated by means of two method: by using AXIL-QXAS software to calculate the effects and by the emission-transmission method to experimentally determine the same effects. The results obtained were compared and a discrepancy in the absorption results was observed. The discrepancy was attributed to the fact that the absorption in the two methods was calculated in different manners, i.e. in the emission-transmission method the absorption factor was calculated by adding different absorption terms by what is known as the additive law, but in the software program it was calculated from the scattered peaks method which does not obey this law. It was concluded that the program should be modified by inserting the emission-transmission method in the software program to calculate the absorption. Quality assurance of the data was performed though the analysis of the standard alloys obtained from the International Atomic Energy Agency (IAEA). (Author)

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

    Science.gov (United States)

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

    2010-08-15

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

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

    Science.gov (United States)

    Jagodzinski, Piotr; Wolski, Robert

    2015-01-01

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

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

    Science.gov (United States)

    Flener-Lovitt, Charity

    2014-01-01

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

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

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

    Science.gov (United States)

    Steven Manning; James. Miller

    2011-01-01

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

  20. Natural control in cabbage root fly populations and influence of chemicals

    NARCIS (Netherlands)

    Abu Yaman, I.K.

    1960-01-01

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

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

    CSIR Research Space (South Africa)

    Erasmus, E

    2008-11-01

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

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

    International Nuclear Information System (INIS)

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

    1988-11-01

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

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

    International Nuclear Information System (INIS)

    Kawano, Takao

    2010-01-01

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

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

    Science.gov (United States)

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

    2014-07-07

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

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

    International Nuclear Information System (INIS)

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

    1982-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Ricardo Calado

    2012-08-01

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

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

    Science.gov (United States)

    Karacop, Ataman; Doymus, Kemal

    2013-04-01

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

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

    Science.gov (United States)

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

    2017-01-01

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

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

    Directory of Open Access Journals (Sweden)

    N. Nazemi

    2017-11-01

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

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

    International Nuclear Information System (INIS)

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

    1993-01-01

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

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

    DEFF Research Database (Denmark)

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

    2011-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Alexander Fainleib

    2013-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2013-01-15

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

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

    International Nuclear Information System (INIS)

    Mushak, Paul

    2013-01-01

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

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

    International Nuclear Information System (INIS)

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

    2004-01-01

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

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

    Science.gov (United States)

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

    2016-06-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-02-01

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

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

    Science.gov (United States)

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

    2016-02-05

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

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

    Directory of Open Access Journals (Sweden)

    S. I. Hossain

    2013-01-01

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

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

    Science.gov (United States)

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

    2012-07-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2016-03-16

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

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

    Science.gov (United States)

    O'Hagan, Steve; Kell, Douglas B

    2018-01-01

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

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

    Directory of Open Access Journals (Sweden)

    O. Atteia

    2002-01-01

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

  4. Intraplacental gene therapy with Ad-IGF-1 corrects naturally occurring rabbit model of intrauterine growth restriction.

    Science.gov (United States)

    Keswani, Sundeep G; Balaji, Swathi; Katz, Anna B; King, Alice; Omar, Khaled; Habli, Mounira; Klanke, Charles; Crombleholme, Timothy M

    2015-03-01

    Intrauterine growth restriction (IUGR) due to placental insufficiency is a leading cause of perinatal complications for which there is no effective prenatal therapy. We have previously demonstrated that intraplacental injection of adenovirus-mediated insulin-like growth factor-1 (Ad-IGF-1) corrects fetal weight in a murine IUGR model induced by mesenteric uterine artery branch ligation. This study investigated the effect of intraplacental Ad-IGF-1 gene therapy in a rabbit model of naturally occurring IUGR (runt) due to placental insufficiency, which is similar to the human IUGR condition with onset in the early third trimester, brain sparing, and a reduction in liver weight. Laparotomy was performed on New Zealand White rabbits on day 21 of 30 days of gestation and litters were divided into five groups: Control (first position)+phosphate-buffered saline (PBS), control+Ad-IGF-1, runt (third position)+PBS, runt+Ad-IGF-1, and runt+Ad-LacZ. The effect of IGF-1 gene therapy on fetal, placental, liver, heart, lung, and musculoskeletal weights of the growth-restricted pups was examined. Protein expression after gene transfer was seen along the maternal-fetal placenta interface (n=12) 48 hr after gene therapy. There was minimal gene transfer detected in the pups or maternal organs. At term, compared with the normally grown first-position control, the runted third-position pups demonstrated significantly lower fetal, placental, liver, lung, and musculoskeletal weights. The fetal, liver, and musculoskeletal weights were restored to normal by intraplacental Ad-IGF-1 gene therapy (p<0.01), with no change in the placental weight. Intraplacental gene therapy is a novel strategy for the treatment of IUGR caused by placental insufficiency that takes advantage of an organ that will be discarded at birth. Development of nonviral IGF-1 gene delivery using placenta-specific promoters can potentially minimize toxicity to the mother and fetus and facilitate clinical translation of

  5. A nucleotide-analogue-induced gain of function corrects the error-prone nature of human DNA polymerase iota.

    Science.gov (United States)

    Ketkar, Amit; Zafar, Maroof K; Banerjee, Surajit; Marquez, Victor E; Egli, Martin; Eoff, Robert L

    2012-06-27

    Y-family DNA polymerases participate in replication stress and DNA damage tolerance mechanisms. The properties that allow these enzymes to copy past bulky adducts or distorted template DNA can result in a greater propensity for them to make mistakes. Of the four human Y-family members, human DNA polymerase iota (hpol ι) is the most error-prone. In the current study, we elucidate the molecular basis for improving the fidelity of hpol ι through use of the fixed-conformation nucleotide North-methanocarba-2'-deoxyadenosine triphosphate (N-MC-dATP). Three crystal structures were solved of hpol ι in complex with DNA containing a template 2'-deoxythymidine (dT) paired with an incoming dNTP or modified nucleotide triphosphate. The ternary complex of hpol ι inserting N-MC-dATP opposite dT reveals that the adenine ring is stabilized in the anti orientation about the pseudo-glycosyl torsion angle, which mimics precisely the mutagenic arrangement of dGTP:dT normally preferred by hpol ι. The stabilized anti conformation occurs without notable contacts from the protein but likely results from constraints imposed by the bicyclo[3.1.0]hexane scaffold of the modified nucleotide. Unmodified dATP and South-MC-dATP each adopt syn glycosyl orientations to form Hoogsteen base pairs with dT. The Hoogsteen orientation exhibits weaker base-stacking interactions and is less catalytically favorable than anti N-MC-dATP. Thus, N-MC-dATP corrects the error-prone nature of hpol ι by preventing the Hoogsteen base-pairing mode normally observed for hpol ι-catalyzed insertion of dATP opposite dT. These results provide a previously unrecognized means of altering the efficiency and the fidelity of a human translesion DNA polymerase.

  6. A nucleotide analogue induced gain of function corrects the error-prone nature of human DNA polymerase iota

    Science.gov (United States)

    Ketkar, Amit; Zafar, Maroof K.; Banerjee, Surajit; Marquez, Victor E.; Egli, Martin; Eoff, Robert L

    2012-01-01

    Y-family DNA polymerases participate in replication stress and DNA damage tolerance mechanisms. The properties that allow these enzymes to copy past bulky adducts or distorted template DNA can result in a greater propensity for them to make mistakes. Of the four human Y-family members, human DNA polymerase iota (hpol ι) is the most error-prone. In the current study, we elucidate the molecular basis for improving the fidelity of hpol ι through use of the fixed-conformation nucleotide North-methanocarba-2′-deoxyadenosine triphosphate (N-MC-dATP). Three crystal structures were solved of hpol ι in complex with DNA containing a template 2′-deoxythymidine (dT) paired with an incoming dNTP or modified nucleotide triphosphate. The ternary complex of hpol ι inserting N-MC-dATP opposite dT reveals that the adenine ring is stabilized in the anti orientation about the pseudo-glycosyl torsion angle (χ), which mimics precisely the mutagenic arrangement of dGTP:dT normally preferred by hpol ι. The stabilized anti conformation occurs without notable contacts from the protein but likely results from constraints imposed by the bicyclo[3.1.0]hexane scaffold of the modified nucleotide. Unmodified dATP and South-MC-dATP each adopt syn glycosyl orientations to form Hoogsteen base pairs with dT. The Hoogsteen orientation exhibits weaker base stacking interactions and is less catalytically favorable than anti N-MC-dATP. Thus, N-MC-dATP corrects the error-prone nature of hpol ι by preventing the Hoogsteen base-pairing mode normally observed for hpol ι-catalyzed insertion of dATP opposite dT. These results provide a previously unrecognized means of altering the efficiency and the fidelity of a human translesion DNA polymerase. PMID:22632140

  7. 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

  8. 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.

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

    Science.gov (United States)

    Park, Su-Youn; Jung, Suk-Yul

    2014-01-01

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

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

    Science.gov (United States)

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

    2017-01-01

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

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Michael Poulsen

    2011-02-01

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

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

    International Nuclear Information System (INIS)

    Clauer, N.; Bonnot-Courtois, C.

    1982-01-01

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

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

    Directory of Open Access Journals (Sweden)

    Livia Leoni

    2013-09-01

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

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

    Science.gov (United States)

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

    2009-04-01

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

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

    DEFF Research Database (Denmark)

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

    2017-01-01

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

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

    Science.gov (United States)

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

    2015-01-01

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

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

    International Nuclear Information System (INIS)

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

    1995-01-01

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

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

    Science.gov (United States)

    Parvez, Shahid; Venkataraman, Chandra; Mukherji, Suparna

    2009-06-01

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

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

    Science.gov (United States)

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

    2008-02-01

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

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

    Science.gov (United States)

    Fedorova, Irina V; Safonova, Lyubov P

    2018-05-10

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

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

    International Nuclear Information System (INIS)

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

    1999-01-01

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

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

    International Nuclear Information System (INIS)

    Arthur, R.C.; Wei Zhou

    2000-12-01

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

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

    Science.gov (United States)

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

    2004-11-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2000-12-01

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

  6. Ultrasound improves chemical reduction of natural contaminant microbiota and Salmonella enterica subsp. enterica on strawberries.

    Science.gov (United States)

    do Rosário, Denes Kaic Alves; da Silva Mutz, Yhan; Peixoto, Jaqueline Moreira Curtis; Oliveira, Syllas Borburema Silva; de Carvalho, Raquel Vieira; Carneiro, Joel Camilo Souza; de São José, Jackline Freitas Brilhante; Bernardes, Patrícia Campos

    2017-01-16

    New sanitization methods have been evaluated to improve food safety and food quality and to replace chlorine compounds. However, these new methods can lead to physicochemical and sensory changes in fruits and vegetables. The present study evaluated the effects of acetic acid, peracetic acid, and sodium dodecylbenzenesulfonate isolated or combined with 5min of ultrasound treatment (40kHz, 500W) on strawberry quality over 9days of storage at 8°C. The strawberry natural contaminant microbiota (molds and yeasts, mesophilic aerobic and lactic acid bacteria), physicochemical quality (pH, total titratable acidity, total soluble solids, vitamin C, and color), sensory quality (triangle test) and inactivation of Salmonella enterica subsp. enterica intentionally inoculated onto strawberries were analyzed. Ultrasound increased the effect of all chemical compounds in the reduction of aerobic mesophilic, molds and yeasts. The best treatment for those groups of microorganisms was ultrasound combined with peracetic acid (US+PA) that reduced 1.8 and 2.0logcfu/g during 9days of storage. Bactericidal effect of peracetic acid was also improved by ultrasound inactivation of S. enterica, reaching a decimal reduction of 2.1logcfu/g. Moreover, synergistic effects were observed in contaminant natural microbiota inactivation for all tested compounds during storage, without any major physicochemical or sensory alteration to the strawberries. Therefore, ultrasound treatment can improve the effect of sanitizers that are substitutes of chlorine compounds without altering the quality of strawberries during storage. Acetic acid (PubChem CID: 176); Peracetic acid (PubChem CID: 6585); Sodium dodecylbenzenesulfonate (PubChem CID: 18372154). Copyright © 2016 Elsevier B.V. All rights reserved.

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

    Science.gov (United States)

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

    2014-09-01

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

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

    Science.gov (United States)

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

    2012-01-01

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

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

    Science.gov (United States)

    Jagodziński, Piotr; Wolski, Robert

    2015-02-01

    Natural User Interfaces (NUI) are now widely used in electronic devices such as smartphones, tablets and gaming consoles. We have tried to apply this technology in the teaching of chemistry in middle school and high school. A virtual chemical laboratory was developed in which students can simulate the performance of laboratory activities similar to those that they perform in a real laboratory. Kinect sensor was used for the detection and analysis of the student's hand movements, which is an example of NUI. The studies conducted found the effectiveness of educational virtual laboratory. The extent to which the use of a teaching aid increased the students' progress in learning chemistry was examined. The results indicate that the use of NUI creates opportunities to both enhance and improve the quality of the chemistry education. Working in a virtual laboratory using the Kinect interface results in greater emotional involvement and an increased sense of self-efficacy in the laboratory work among students. As a consequence, students are getting higher marks and are more interested in the subject of chemistry.

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

    International Nuclear Information System (INIS)

    Silwood, Christopher J.L.; Grootveld, Martin

    2005-01-01

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

  11. Radiated chemical reaction impacts on natural convective MHD mass transfer flow induced by a vertical cone

    Science.gov (United States)

    Sambath, P.; Pullepu, Bapuji; Hussain, T.; Ali Shehzad, Sabir

    2018-03-01

    The consequence of thermal radiation in laminar natural convective hydromagnetic flow of viscous incompressible fluid past a vertical cone with mass transfer under the influence of chemical reaction with heat source/sink is presented here. The surface of the cone is focused to a variable wall temperature (VWT) and wall concentration (VWC). The fluid considered here is a gray absorbing and emitting, but non-scattering medium. The boundary layer dimensionless equations governing the flow are solved by an implicit finite-difference scheme of Crank-Nicolson which has speedy convergence and stable. This method converts the dimensionless equations into a system of tri-diagonal equations and which are then solved by using well known Thomas algorithm. Numerical solutions are obtained for momentum, temperature, concentration, local and average shear stress, heat and mass transfer rates for various values of parameters Pr, Sc, λ, Δ, Rd are established with graphical representations. We observed that the liquid velocity decreased for higher values of Prandtl and Schmidt numbers. The temperature is boost up for decreasing values of Schimdt and Prandtl numbers. The enhancement in radiative parameter gives more heat to liquid due to which temperature is enhanced significantly.

  12. Natural and anthropogenic sources of chemical elements in sediment profiles from the Admiralty Bay, Antarctica

    International Nuclear Information System (INIS)

    Ribeiro, A.P.; Figueira, R.C.L.; Silva, C.R.A.; Franca, E.J.; Mahiques, M.M.; Bicego, M.C.; Montone, R.C.

    2010-01-01

    Full text: The Antarctic Continent and its surrounding Southern Ocean are the least known regions of the world, mainly due to the most unfavorable climatic conditions, in which sampling for environmental studies are quite difficult to be carried out. Admiralty Bay on the King George Island (Antarctica) hosts three research stations, Arctowski, Ferraz and Macchu Picchu, which are operate by Poland, Brazil and Peru, respectively. Therefore, human activities in this region require the use of fossil fuel as an energy source, which is also considered the main source of pollutants in the area. This work investigated the natural and anthropogenic inputs of chemical elements in sediment samples collected close to Ferraz Station, during the 25 th Brazilian Antarctica Expedition in the 2006/2007 austral summer. Total concentrations of As, Zn and Sc were determined in sediment profiles by using the Instrumental Neutron Activation Analysis (INAA). The analytical technique employed to determine the major elements such as Fe, Al, Ca, Mn and Ti was X-ray fluorescence (XRF) spectroscopy. For estimating the sedimentation rate, High Resolution Gamma Ray Spectrometry was applied to determine 137 Cs, after 30 days, to achieve secular equilibrium. According to the enrichment factor and the geochronology analysis, the most relevant enrichment was observed for As in the sediment samples, suggesting the increasing of its content due to the Brazilian activities in the Admiralty Bay. Despite some evidences of anthropogenic contribution, the study indicated low level of environmental risk for this region. (author)

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-01-15

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

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

    Science.gov (United States)

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

    2013-08-14

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

  15. Geochemical properties and nuclear chemical characteristics of Oklo natural fission reactors

    Energy Technology Data Exchange (ETDEWEB)

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

    1997-07-01

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

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

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

    International Nuclear Information System (INIS)

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

    1996-01-01

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

  18. Non-linear corrections to the time-covariance function derived from a multi-state chemical master equation.

    Science.gov (United States)

    Scott, M

    2012-08-01

    The time-covariance function captures the dynamics of biochemical fluctuations and contains important information about the underlying kinetic rate parameters. Intrinsic fluctuations in biochemical reaction networks are typically modelled using a master equation formalism. In general, the equation cannot be solved exactly and approximation methods are required. For small fluctuations close to equilibrium, a linearisation of the dynamics provides a very good description of the relaxation of the time-covariance function. As the number of molecules in the system decrease, deviations from the linear theory appear. Carrying out a systematic perturbation expansion of the master equation to capture these effects results in formidable algebra; however, symbolic mathematics packages considerably expedite the computation. The authors demonstrate that non-linear effects can reveal features of the underlying dynamics, such as reaction stoichiometry, not available in linearised theory. Furthermore, in models that exhibit noise-induced oscillations, non-linear corrections result in a shift in the base frequency along with the appearance of a secondary harmonic.

  19. Changes in chemical and microbiological parameters of some varieties of Sicily olives during natural fermentation

    Directory of Open Access Journals (Sweden)

    Romeo, Flora V.

    2006-12-01

    Full Text Available The changes and features of some olive cultivars during natural fermentation in brine were examined. The cultivars were typical of Sicily: “Nocellara messinese”, “Nocellara etnea”, “Moresca”, “Ogliarola” and “Tonda iblea”. The carpological data revealed their good quality. Chemical characteristics such as reducing sugars, titratable acidity, total phenols and dry matter were also investigated. The physical and chemical changes of olives and brines throughout the process time were monitored. Sodium chloride concentration was gradually increased from 5% (w/v to 6% after 60-75 days and 7% after 90. The olives were put in brine acidified up to pH = 4. The salt concentration and pH value were necessary to favor lactic fermentation. An uniform trend of pH was measured for all the olive cultivars: a stable pH under 4.5 value was measured. The course of titratable acidity measured in fermentation brines was in  agreement with the pH trend. The concentration of total phenols in flesh olives through the brine storage and fermentation is reported and the reduction of total phenols during the brine fermentation was fast in “Tonda iblea”, “Nocellara etnea” and “Moresca” olives.To measure the degree of oleuropein disappearance, the course of hydroxytyrosol in brine was monitored. Throughout the brining period, the growth of microbial populations was revealed on selective media: lactic acid bacteria, mesophilic microorganisms, yeasts and moulds.Los cambios y las características de algunas variedades de aceitunas han sido examinados durante la fermentación natural. Las variedades estudiadas fueron las típicas de Sicilia. Las determinaciones carpológicas revelan una buena calidad de los frutos. Las características químicas (azúcares, acidez, fenoles y materia seca han sido estudiadas. El cloruro de sodio en la salmuera se aumentó gradualmente del 5% al 6% después de 60-75 días y hasta 7% después de 90 días. Las

  20. Degradation of deicing chemicals affects the natural redox system in airfield soils.

    Science.gov (United States)

    Lissner, Heidi; Wehrer, Markus; Jartun, Morten; Totsche, Kai Uwe

    2014-01-01

    During winter operations at airports, large amounts of organic deicing chemicals (DIC) accumulate beside the runways and infiltrate into the soil during spring. To study the transport and degradation of DIC in the unsaturated zone, eight undisturbed soil cores were retrieved at Oslo airport, Norway, and installed as lysimeters at a nearby field site. Before snowmelt in 2010 and 2011, snow amended with a mix of the DICs propylene glycol (PG) and formate as well as bromide as conservative tracer was applied. Water samples were collected and analyzed until summer 2012. Water flow and solute transport varied considerably among the lysimeters but also temporally between 2010 and 2011. High infiltration rates during snowmelt resulted in the discharge of up to 51 and 82% PG in 2010 and 2011, respectively. The discharge of formate remained comparatively low, indicating its favored degradation even at freezing temperatures compared with PG. Manganese (Mn) and iron (Fe) were observed in the drainage in autumn owing to the anaerobic degradation of residual PG during summer. Our findings suggest that upper boundary conditions, i.e., snow cover and infiltration rate, and the extent of preferential flowpaths, control water flow and solute transport of bromide and PG during snowmelt. PG may therefore locally reach deeper soil regions where it may pose a risk for groundwater. In the long term, the use of DIC furthermore causes the depletion of potential electron acceptors and the transport of considerable amounts of Fe and Mn. To avoid an overload of the unsaturated zone with DIC and to maintain the natural redox system, the development of suitable remediation techniques is required.

  1. Effect of the chemical treatments on the characteristics of natural cellulose

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-09-25

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

  2. Effect of the chemical treatments on the characteristics of natural cellulose

    International Nuclear Information System (INIS)

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

    2014-01-01

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

  3. phisco-chemical studies concerning naturally occuring radiocuclides and heavy metal concentrations in groundwater

    International Nuclear Information System (INIS)

    Abd Allah, A.A.A.

    2011-01-01

    The present work is a comprehensive of drinking water quality from various rural regions of Egypt. People are living in these rural regions have a problem of scarcely water resources. They mainly depend on groundwater resources for drinking. These water resources may be contaminated with both naturally and/or industrial pollutants unexpected. In this study, several groundwater samples are obtained from certain regions in Egypt; physical, chemical and radiological parameters are examined. Then, compared to the standard limits values of the world health organization. A new modified ion exchange resin was prepared in our laboratory with a high efficiency factor which may be used for reducing the heavy metals that are being found in groundwater samples. The removal of heavy metals such as, Pb (II), Co (II) and Mn (II) ions was carried out by the modified ion exchange resin using Batch sorption experiments. The optimum condition of the removal efficiency was conducted under different parameters such as; effect of ph, initial ion concentrations, weight loaded and contact time to determine the optimum conditions for the resin function. Kinetic studies are performed using first and second order kinetic equations. The sorption kinetic experiments are found to be agreeing well with the second order kinetic equation. The particle diffusion model was also studied. three isotherm equations are applied for sorption of the investigated elements at equilibrium are well described by the Freundlich isotherm equation indicating that sorption process of those elements are applied with heterogeneous adsorption reaction. Dubinin and Radushkevich (D-R) isotherm equation is also applied. The free energy of the adsorption process is also given in the range of the ion exchange reaction.

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

    Science.gov (United States)

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

    2014-01-01

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

  5. Synthesis, three-dimensional structure, conformation and correct chemical shift assignment determination of pharmaceutical molecules by NMR and molecular modeling

    Energy Technology Data Exchange (ETDEWEB)

    Azeredo, Sirlene O.F. de; Sales, Edijane M.; Figueroa-Villar, José D., E-mail: jdfv2009@gmail.com [Instituto Militar de Engenharia (IME), Rio de Janeiro, RJ (Brazil). Grupo de Ressonância Magnética Nuclear e Química Medicinal

    2017-07-01

    This work includes the synthesis of phenanthrenequinone guanylhydrazone and phenanthro[9,10-e][1,2,4]triazin-3-amine to be tested as intercalate with DNA for treatment of cancer. The other synthesized product, 2-[(4-chlorophenylamino)methylene]malononitrile, was designed for future determination of its activity against leishmaniasis. A common problem about some articles on the literature is that some previously published compounds display error of their molecular structures. In this article it is shown the application of several procedures of nuclear magnetic resonance (NMR) to determine the complete molecular structure and the non questionable chemical shift assignment of the synthesized compounds, and also their analysis by molecular modeling to confirm the NMR results. To determine the capacity of pharmacological compounds to interact with biological targets is determined by docking. This work is to motivate the application of NMR and molecular modeling on organic synthesis, being a process that is very important for the study of the prepared compounds as interactions with biological targets by NMR. (author)

  6. Synthesis, three-dimensional structure, conformation and correct chemical shift assignment determination of pharmaceutical molecules by NMR and molecular modeling

    International Nuclear Information System (INIS)

    Azeredo, Sirlene O.F. de; Sales, Edijane M.; Figueroa-Villar, José D.

    2017-01-01

    This work includes the synthesis of phenanthrenequinone guanylhydrazone and phenanthro[9,10-e][1,2,4]triazin-3-amine to be tested as intercalate with DNA for treatment of cancer. The other synthesized product, 2-[(4-chlorophenylamino)methylene]malononitrile, was designed for future determination of its activity against leishmaniasis. A common problem about some articles on the literature is that some previously published compounds display error of their molecular structures. In this article it is shown the application of several procedures of nuclear magnetic resonance (NMR) to determine the complete molecular structure and the non questionable chemical shift assignment of the synthesized compounds, and also their analysis by molecular modeling to confirm the NMR results. To determine the capacity of pharmacological compounds to interact with biological targets is determined by docking. This work is to motivate the application of NMR and molecular modeling on organic synthesis, being a process that is very important for the study of the prepared compounds as interactions with biological targets by NMR. (author)

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

    Science.gov (United States)

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

    2012-07-01

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

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

    International Nuclear Information System (INIS)

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

    2007-01-01

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

  9. CHEMICALS

    CERN Multimedia

    Medical Service

    2002-01-01

    It is reminded that all persons who use chemicals must inform CERN's Chemistry Service (TIS-GS-GC) and the CERN Medical Service (TIS-ME). Information concerning their toxicity or other hazards as well as the necessary individual and collective protection measures will be provided by these two services. Users must be in possession of a material safety data sheet (MSDS) for each chemical used. These can be obtained by one of several means : the manufacturer of the chemical (legally obliged to supply an MSDS for each chemical delivered) ; CERN's Chemistry Service of the General Safety Group of TIS ; for chemicals and gases available in the CERN Stores the MSDS has been made available via EDH either in pdf format or else via a link to the supplier's web site. Training courses in chemical safety are available for registration via HR-TD. CERN Medical Service : TIS-ME :73186 or service.medical@cern.ch Chemistry Service : TIS-GS-GC : 78546

  10. Chemical composition and natural durability of juvenile and mature heartwood of Robinia pseudoacacia L.

    Directory of Open Access Journals (Sweden)

    João V.F Latorraca

    2011-09-01

    Full Text Available The aim of this study was to characterize the properties of juvenile and mature heartwood of Robinia pseudoacacia L. (black locust. The content, the composition, and subcellular localization of heartwood extractives were studied in 14 old-grown trees from forest sites in Germany and Hungary, as well as in 16 younger trees of four clone types. Heartwood extractives (methanol and acetone extraction were analysed by HPLC-chromatography. UV microspectrophotometry was used to localize the extractives in the wood cell walls. The natural durability of juvenile and mature heartwood was analysed according to the European standard EN 350-1. Growth analyses, as well as the chemical analyses, showed that in Robinia the formation of juvenile wood is restricted to the first 10-15 years of cambial growth. In the heartwood high contents of phenolic compounds and flavonoids were present, which were in high concentrations in the cell walls of the axial parenchyma and of the vessels. In the juvenile heartwood, the content of these extractives is significantly lower than in the mature heartwood. In agree, the juvenile heartwood had a lower resistance to decay by Coniophora puteana (brown rot fungus and Coriolus versicolor (white rot fungus compared to the mature.O objetivo deste estudo foi caracterizar as propriedades da região de cerne dos lenhos juvenis e adultos de Robinia pseudoacacia L. O conteúdo, a composição, bem como a localização subcelular dos extrativos foram estudados em 14 árvores de florestas de produção na Alemanha e na Hungria, assim como em 16 árvores de quatro tipos clone. Os extrativos (metanol e acetona extração foram analisados por cromatografia-HPLC. O microespectrofotômetro de ultra violeta foi utilizado para localizar os extrativos nas paredes celulares da madeira. A durabilidade natural do lenho juvenil e adulto foi analisada de acordo com a norma europeia EN 350-1. Análises do incremento, bem como as análises qu

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

    Science.gov (United States)

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

    2016-04-27

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

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

    Data.gov (United States)

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2008-07-01

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

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

    International Nuclear Information System (INIS)

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

    2011-01-01

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

  15. Identifying the nature of surface chemical modification for directed self-assembly of block copolymers

    Directory of Open Access Journals (Sweden)

    Laura Evangelio

    2017-09-01

    Full Text Available In recent years, block copolymer lithography has emerged as a viable alternative technology for advanced lithography. In chemical-epitaxy-directed self-assembly, the interfacial energy between the substrate and each block copolymer domain plays a key role on the final ordering. Here, we focus on the experimental characterization of the chemical interactions that occur at the interface built between different chemical guiding patterns and the domains of the block copolymers. We have chosen hard X-ray high kinetic energy photoelectron spectroscopy as an exploration technique because it provides information on the electronic structure of buried interfaces. The outcome of the characterization sheds light onto key aspects of directed self-assembly: grafted brush layer, chemical pattern creation and brush/block co-polymer interface.

  16. Tuning the performance of a natural treatment process using metagenomics for improved trace organic chemical attenuation

    KAUST Repository

    Drewes, Jorg; Li, Dong; Regnery, Julia; Alidina, Mazahirali; Wing, Alexandredavid; Hoppe-Jones, Christiane

    2014-01-01

    removal of trace organic chemicals of emerging concern (CECs). Increasing the humic content of the primary substrate resulted in higher microbial diversity. Lower concentrations and a higher humic content of the primary substrate promoted the attenuation

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2014-06-01

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

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

    International Nuclear Information System (INIS)

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

    2014-01-01

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

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

    Science.gov (United States)

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

    2014-06-15

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

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

    Science.gov (United States)

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

    2016-03-01

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

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

    Science.gov (United States)

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

    2014-08-01

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

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

    Science.gov (United States)

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

    2016-01-01

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

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

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

    International Nuclear Information System (INIS)

    1996-09-01

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

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

    Directory of Open Access Journals (Sweden)

    Elizabeth Aparecida Josefi da Silva

    2016-10-01

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

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

    Science.gov (United States)

    Nagy, Péter R.; Kállay, Mihály

    2017-06-01

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

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

    KAUST Repository

    Guo, Yang

    2018-01-04

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

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

    KAUST Repository

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

    2018-01-01

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

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    2012-05-15

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

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

    International Nuclear Information System (INIS)

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

    2016-01-01

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

  12. Treatment of sugar beet thick juice spent wash by chemical and natural coagulants

    Directory of Open Access Journals (Sweden)

    Antov Mirjana G.

    2009-01-01

    Full Text Available The possibility of treatment of wastewater from bioethanol production by aluminium sulfate and natural coagulant extracted from common bean seed was studied. The highest coagulation activity at pH 6.5 is reached with analum dose of 1 g/l, but only a little lower coagulation activities were obtained by the dose of 0.05 and 0.10 g/l, which is more favorable for economic and environmental reasons. When natural coagulant from common bean was applied the highest coagulation activity, 14.3%, at pH 6.5 is reached with a dose of 0.5 ml/l. However, when common bean natural coagulant was used simultaneously with alum, the highest turbidity removal resulting in 24% coagulation activity was achieved and this was more efficient than when alum or natural coagulant were used.

  13. Investigation of surface properties of physico-chemically modified natural fibres using inverse gas chromatography

    CSIR Research Space (South Africa)

    Cordeiro, N

    2011-01-01

    Full Text Available Inverse gas chromatography (IGC) is a suitable method to determine surface energy of natural fibres when compared to wetting techniques. In the present study, the surface properties of raw and modified lignocellulosic fibres have been investigated...

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1995-12-31

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

  15. Variability of Ecosystem State in Rivers Containing Natural Dams: A Chemical Analysis

    Science.gov (United States)

    Reynolds, Z. A.

    2015-12-01

    Flooding, and the resulting economic damage to roads and property, is associated with natural dams such as beaver dams or log jams. For this reason, humans often remove natural dams; however, river reaches with natural dams provide very different ecosystem services in comparison with free-flowing river reaches. Therefore, the goal of this project is to assess the differences in ecosystem state between these different river reach types in the northeastern United States. We focused on differences in basic chemistry (e.g., dissolved oxygen, pH, temperature, and organic carbon) to assess the impact of natural dams on river ecosystem state. Study sites include rivers in the White Mountains and southeastern New Hampshire at locations with beaver dams, beaver ponds, beaver meadows, log jams, and free-flowing reaches. Dissolved oxygen, ORP, pH, temperature, and conductivity were measured in the field with a YSI Professional Plus meter. Water samples were collected for subsequent laboratory analysis of total organic carbon with a Shimadzu TOC-L. Preliminary results show that the chemistry of river water varies with feature type. Most significantly, dissolved oxygen concentrations are highest in free-flowing reaches and lowest in beaver ponds. Although beaver ponds are often associated with lower pH, due the increased concentration of organic acids, some beaver ponds can increase pH when compared to free-flowing reaches on the same river. Early results also show that water chemistry returns quickly to the chemistry typical of the free-flowing river reaches after being altered by a natural dam. Overall, natural dams create a river system that has more heterogeneity, and therefore has opportunities to provide more ecosystem functions, than a purely free-flowing river; this can increase the number of supported instream and riparian species. By increasing the understanding of how natural dams affect the chemistry of river water, river engineers can improve their decisions on how

  16. Structure and chemical characteristics of natural mineral deposit Terbunskaya (Lipetsk region, Russia)

    Energy Technology Data Exchange (ETDEWEB)

    Motyleva, S., E-mail: motyleva-svetlana@mail.ru; Mertvishcheva, M. [All-Russian Horticular Institute for Breeding, Agrotechnology and Nursery Russian Academy of Agricultural Sciences, Moskow (Russian Federation); Shchuchka, R.; Gulidova, V. [Yelets state university named after I. A. Bunin, Yelets (Russian Federation)

    2015-07-22

    New knowledge about the mineralogical features Terbunsky mineral. Investigated 5 fractions isolated from the incision (2-2,5 m). Terbunskaya deposit belongs to minerals Santonian age. Scanning electron microscopy and energy dispersive analysis of fractions isolated studied in detail. In the coarse fractions found ancient organic remains of algae and micro-organisms that have been sedimented together with the mineral component during geological periods. The share of organic inclusions does not exceed 1.5%. Chemical composition confirms the presence of silicon and carbonate organisms. Advantageously proportion of minerals having a layered structure with a plurality of micro and nano pore size 600 - 80-nm and an average chemical composition (wt%): Na (0,64), Mg (0,54), Al (13.48), Si (27 57), K (2.39) Ca (0.75)

  17. Natural gas to liquid transportation fuels and chemicals via the Sasol synthol process

    International Nuclear Information System (INIS)

    Fourie, J.H.

    1992-01-01

    This paper deals with the recent developments in Synfuels technology at Sasol. The specific areas covered are synthesis plants and the development of modern high technology reactors to reduce capital and maintenance costs of future Synfuel plants. Emphasis is further placed on the co-production of chemicals in Synfuel plants to increase profitability. An important aspect namely that the fuels from the Sasol Synthol process can meet the new specifications for reformulated gasoline are also dealt with in the paper

  18. Treatment of sugar beet thick juice spent wash by chemical and natural coagulants

    OpenAIRE

    Antov Mirjana G.; Klašnja Mile T.; Šćiban Marina B.

    2009-01-01

    The possibility of treatment of wastewater from bioethanol production by aluminium sulfate and natural coagulant extracted from common bean seed was studied. The highest coagulation activity at pH 6.5 is reached with analum dose of 1 g/l, but only a little lower coagulation activities were obtained by the dose of 0.05 and 0.10 g/l, which is more favorable for economic and environmental reasons. When natural coagulant from common bean was applied the highest coagulation activity, 14.3%, at pH ...

  19. Evaluation of reduced chemical kinetic mechanisms used for modeling mild combustion for natural gas

    Directory of Open Access Journals (Sweden)

    Hamdi Mohamed

    2009-01-01

    Full Text Available A numerical and parametric study was performed to evaluate the potential of reduced chemistry mechanisms to model natural gas chemistry including NOx chemistry under mild combustion mode. Two reduced mechanisms, 5-step and 9-step, were tested against the GRI-Mech3.0 by comparing key species, such as NOx, CO2 and CO, and gas temperature predictions in idealized reactors codes under mild combustion conditions. It is thus concluded that the 9-step mechanism appears to be a promising reduced mechanism that can be used in multi-dimensional codes for modeling mild combustion of natural gas.

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

    International Nuclear Information System (INIS)

    Moraes da Silva, T. de

    1990-01-01

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

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

    International Nuclear Information System (INIS)

    Silva, T.M. da.

    1988-01-01

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

  2. Perturbing dissimilar biomolecular targets from natural product scaffolds and focused chemical decoration

    DEFF Research Database (Denmark)

    Nielsen, John; Tung, Truong Thanh; Tim, Holm Jakobsen

    agents. On first attempt, by screening natural product sources we have successfully discovered that curcuminoids as potent inhibitors of p-type ATPases from diverse kingdoms of life including Pma1. On other attempt, the fungal metabolite fusaric acid was reported to reduce stomatal conductance in banana...

  3. METHANE EMISSIONS FROM THE NATURAL GAS INDUSTRY VOLUME 13: CHEMICAL INJECTION PUMPS

    Science.gov (United States)

    The 15-volume report summarizes the results of a comprehensive program to quantify methane (CH4) emissions from the U.S. natural gas industry for the base year. The objective was to determine CH4 emissions from the wellhead and ending downstream at the customer's meter. The accur...

  4. Chitosan-Starch Films with Natural Extracts: Physical, Chemical, Morphological and Thermal Properties

    Directory of Open Access Journals (Sweden)

    Jessica I. Lozano-Navarro

    2018-01-01

    Full Text Available The aim of this study is to analyze the properties of a series of polysaccharide composite films, such as apparent density, color, the presence of functional groups, morphology, and thermal stability, as well as the correlation between them and their antimicrobial and optical properties. Natural antioxidants such as anthocyanins (from cranberry; blueberry and pomegranate; betalains (from beetroot and pitaya; resveratrol (from grape; and thymol and carvacrol (from oregano were added to the films. Few changes in the position and intensity of the FTIR spectra bands were observed despite the low content of extract added to the films. Due to this fact, the antioxidants were extracted and identified by spectroscopic analysis; and they were also quantified using the Folin-Denis method and a gallic acid calibration curve, which confirmed the presence of natural antioxidants in the films. According to the SEM analysis, the presence of natural antioxidants has no influence on the film morphology because the stretch marks and white points that were observed were related to starch presence. On the other hand, the TGA analysis showed that the type of extract influences the total weight loss. The overall interpretation of the results suggests that the use of natural antioxidants as additives for chitosan-starch film preparation has a prominent impact on most of the critical properties that are decisive in making them suitable for food-packing applications.

  5. Chitosan-Starch Films with Natural Extracts: Physical, Chemical, Morphological and Thermal Properties

    Science.gov (United States)

    Díaz-Zavala, Nancy P.; Melo-Banda, José A.; García-Alamilla, Ricardo; Martínez-Hernández, Ana L.; Zapién-Castillo, Samuel

    2018-01-01

    The aim of this study is to analyze the properties of a series of polysaccharide composite films, such as apparent density, color, the presence of functional groups, morphology, and thermal stability, as well as the correlation between them and their antimicrobial and optical properties. Natural antioxidants such as anthocyanins (from cranberry; blueberry and pomegranate); betalains (from beetroot and pitaya); resveratrol (from grape); and thymol and carvacrol (from oregano) were added to the films. Few changes in the position and intensity of the FTIR spectra bands were observed despite the low content of extract added to the films. Due to this fact, the antioxidants were extracted and identified by spectroscopic analysis; and they were also quantified using the Folin-Denis method and a gallic acid calibration curve, which confirmed the presence of natural antioxidants in the films. According to the SEM analysis, the presence of natural antioxidants has no influence on the film morphology because the stretch marks and white points that were observed were related to starch presence. On the other hand, the TGA analysis showed that the type of extract influences the total weight loss. The overall interpretation of the results suggests that the use of natural antioxidants as additives for chitosan-starch film preparation has a prominent impact on most of the critical properties that are decisive in making them suitable for food-packing applications. PMID:29329275

  6. Ecopharmacognosy: Exploring The Chemical And Biological Potential Of Nature For Human Health

    Directory of Open Access Journals (Sweden)

    Geoffrey A. Cordell

    2014-04-01

    Full Text Available “Why didn’t they develop natural product drugs in a sustainable manner at the beginning of this century?”  In 2035, when about 10.0 billion will inhabit Earth, will this be our legacy as the world contemplates the costs and availability of synthetic and gene-based products for primary health care?  Acknowledging the recent history of the relationship between humankind and the Earth, it is essential that the health care issues being left for our descendants be considered in terms of resources. For most people in the world, there are two vast health care “gaps”, access to quality drugs and the development of drugs for major global and local diseases.  Consequently for all of these people, plants, in their various forms, remain a primary source of health care.  In the developed countries, natural products derived from plants assume a relatively minor role in health care, as prescription and over-the-counter products, even with the widespread use of phytotherapeutical preparations.  Significantly, pharmaceutical companies have retrenched substantially in their disease areas of focus.  These research areas do not include the prevalent diseases of the middle- and lower-income countries, and important diseases of the developed world, such as drug resistance. What then is the vision for natural product research to maintain the choices of drug discovery and pharmaceutical development for future generations?  In this discussion some facets of how natural products must be involved globally, in a sustainable manner, for improving health care will be examined within the framework of the new term “ecopharmacognosy”, which invokes sustainability as the basis for research on biologically active natural products.  Access to the biome, the acquisition, analysis and dissemination of plant knowledge, natural product structure diversification, biotechnology development, strategies for natural product drug discovery, and aspects of multitarget

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

    Science.gov (United States)

    El-Taher, A; Althoyaib, S S

    2012-01-01

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

  8. Tuning the performance of a natural treatment process using metagenomics for improved trace organic chemical attenuation

    KAUST Repository

    Drewes, Jorg

    2014-02-01

    By utilizing high-throughput sequencing and metagenomics, this study revealed how the microbial community characteristics including composition, diversity, as well as functional genes in managed aquifer recharge (MAR) systems can be tuned to enhance removal of trace organic chemicals of emerging concern (CECs). Increasing the humic content of the primary substrate resulted in higher microbial diversity. Lower concentrations and a higher humic content of the primary substrate promoted the attenuation of biodegradable CECs in laboratory and field MAR systems. Metagenomic results indicated that the metabolic capabilities of xenobiotic biodegradation were significantly promoted for the microbiome under carbon-starving conditions. © IWA Publishing 2014.

  9. Respect for the environment-a chemical company's vision for a partnership with nature

    International Nuclear Information System (INIS)

    Presting D.B.

    1993-01-01

    This paper presents the environmental stewardship principles of the Du Pont Agricultural Products developed recently. The author initiates the paper with a discussion of some factors that will influence the evolution of agriculture into the next century: production and distribution of food; human population growth and areas of most rapid increase; proportion of the earth's surface that is arable; place of plant protection chemicals in production agriculture. The nine point Du Pont stewardship program includes the following areas: food and fiber safety; disease and residue level detection program; surface and ground water quality; worker safety; on-target use, resistance management, and wildlife and resource conservation; integrated ecosystem management; waste management; product quality

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

    Directory of Open Access Journals (Sweden)

    Yuya Kajikawa

    2006-11-01

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

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

    International Nuclear Information System (INIS)

    Hermichen, W.D.; Schuetze, H.

    1987-01-01

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

  12. Application of the natural cellulosic supports modified chemically for the treatment of the industrial effluents

    International Nuclear Information System (INIS)

    Kassale, A.; Elbariji, S.; Lacherai, A.; Elamine, M.; Kabli, H.; Albourine, A.

    2009-01-01

    The process of purification and discoloration of industrial waters (and particularly effluents of the textile industry) can meet major difficulties: certain dyes agents get through the devices of purge without being to stop. the cost of equipment and products of purification is prohibitive. Finally, in many cases, the discoloration can be only partial because waters to be treated containing mixtures of dyes of different nature, the material of purification can be effective only screw/screw of some of them. (Author)

  13. 1,5-Dimethylhexylamine (octodrine) in sports and weight loss supplements: Natural constituent or synthetic chemical?

    Science.gov (United States)

    Wang, Mei; Haider, Saqlain; Chittiboyina, Amar G; Parcher, Jon F; Khan, Ikhlas A

    2018-04-15

    In the past years, there has been a mounting trend toward the addition of sympathomimetic stimulants in sports and weight loss supplements sold in the US and claimed to be from natural constituents. The latest among those pharmaceutical stimulants is 1,5-dimethylhexylamine (1,5-DMHA or octodrine), an ingredient in newly introduced sports and weight loss supplements with its 'natural' origin being cited from Aconitum or Kigelia plants. In order to validate the natural existence of 1,5-DMHA, two GC/MS methods were developed. One method involved using thick film megabore capillary columns to analyze the underivatized 1,5-DMHA. The second method was to determine enantiomeric distribution of 1,5-DMHA. Fifteen Aconitum or Kigelia plant samples originating from various locations were analyzed, and none of them contained 1,5-DMHA within the limit of detection (25 ng/mL) of the method. In contrast, although 1,5-DMHA was listed on the labels or website for all the 13 dietary supplements, only four products were found to contain this compound, with the highest quantity being reported as 112 mg per serving size. This is equivalent to more than three times the highest pharmaceutical dose established in Europe. The enantiomeric ratios of 1,5-DMHA in these products were determined to be between 0.9-1.0 (expressed as peak area ratio of one enantiomer over another), suggesting racemic nature. Interestingly, two byproducts from 1,5-DMHA synthesis were identified in commercial supplements containing 1,5-DMHA, indicating that 1,5-DMHA indeed originated from a poor quality source. Overall, the significant amount of 1,5-DMHA observed in the supplements, the enantiomeric distribution and the presence of the synthetic byproducts all suggested the synthetic origin of 1,5-DMHA in the commercial products. Copyright © 2018 Elsevier B.V. All rights reserved.

  14. 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.

  15. studies on the fixation of chemical and radioactive contaminants by natural and artificial compounds

    International Nuclear Information System (INIS)

    Mourad, G.A.M.

    2006-01-01

    the main objective of the work presented in this is to study the adsorption of U(VI), Cr(VI) and Gd (lll) from aqueous medium using modified sorel's cement as artificial adsorbents. the thesis is classified into three chapters; namely ,introduction ,experimental and results and discussion. the first chapter, i ntroduction , includes chemical and radioactive contaminant, some aspects of the properties and aqueous chemistry of uranium, chromium and gadolinium . the separation of different pollutant and their methods of separation based on the types of adsorbents, and the theoretical background of adsorption isotherms, kinetics and ion diffusion as well as literature survey which is related to the present work are given.the second chapter, e xperimental , contains the different materials employed, their chemical purity, and a detailed description for instruments used are given.the third chapter. r esults and discussion i ncludes the experimental results obtained and their interpretation .this chapter is classified into three main parts; namely, characterization, equilibrium and kinetic investigations

  16. Natural gas as raw material for clean fuels and chemicals in the next decades

    International Nuclear Information System (INIS)

    Colitti, M.

    1998-01-01

    Modern industry originates in a change of feedstock, the result of a never-ending quest for a better, cheaper raw material. In the origin, there was coal, a source of both energy and industrial feedstock, the so-called synthesis gas. Then, coal was replaced by liquid hydrocarbons, coming from a refinery or from wells of crude oil and gas. The passage from solid to liquids was part and parcel of a structural change which has produced an extraordinary acceleration of economic growth. We might hope that the same will happen when natural gas will comes in to displace the liquids. New feedstocks do not come in without a fight. It is not only a matter of price, but also of technology, and of the natural tendency of industries to protect their own investments in plants which are all of a sudden made to look old. Rather than repeat for the 'nth' time the list of technologies which can turn natural gas into a basic feedstock for oil and petrochemical industries, the author discusses how will companies decide upon this matter

  17. Effects of chemical elements in the trophic levels of natural salt marshes.

    Science.gov (United States)

    Kamiński, Piotr; Barczak, Tadeusz; Bennewicz, Janina; Jerzak, Leszek; Bogdzińska, Maria; Aleksandrowicz, Oleg; Koim-Puchowska, Beata; Szady-Grad, Małgorzata; Klawe, Jacek J; Woźniak, Alina

    2016-06-01

    The relationships between the bioaccumulation of Na, K, Ca, Mg, Fe, Zn, Cu, Mn, Co, Cd, and Pb, acidity (pH), salinity (Ec), and organic matter content within trophic levels (water-soil-plants-invertebrates) were studied in saline environments in Poland. Environments included sodium manufactures, wastes utilization areas, dumping grounds, and agriculture cultivation, where disturbed Ca, Mg, and Fe exist and the impact of Cd and Pb is high. We found Zn, Cu, Mn, Co, and Cd accumulation in the leaves of plants and in invertebrates. Our aim was to determine the selectivity exhibited by soil for nutrients and heavy metals and to estimate whether it is important in elucidating how these metals are available for plant/animal uptake in addition to their mobility and stability within soils. We examined four ecological plant groups: trees, shrubs, minor green plants, and water macrophytes. Among invertebrates, we sampled breastplates Malacostraca, small arachnids Arachnida, diplopods Diplopoda, small insects Insecta, and snails Gastropoda. A higher level of chemical elements was found in saline polluted areas (sodium manufactures and anthropogenic sites). Soil acidity and salinity determined the bioaccumulation of free radicals in the trophic levels measured. A pH decrease caused Zn and Cd to increase in sodium manufactures and an increase in Ca, Zn, Cu, Cd, and Pb in the anthropogenic sites. pH increase also caused Na, Mg, and Fe to increase in sodium manufactures and an increase in Na, Fe, Mn, and Co in the anthropogenic sites. There was a significant correlation between these chemical elements and Ec in soils. We found significant relationships between pH and Ec, which were positive in saline areas of sodium manufactures and negative in the anthropogenic and control sites. These dependencies testify that the measurement of the selectivity of cations and their fluctuation in soils provide essential information on the affinity and binding strength in these environments. The

  18. Chemical conversion of natural gas. Final report; Kjemisk konvertering av naturgass. Sluttrapport

    Energy Technology Data Exchange (ETDEWEB)

    Simonsen, Haavard

    2000-07-01

    This report presents examples of gas research of a high international class. This research has strengthened the technological position of Norwegian industry in the field of gas utilization, which will be of great importance for Norwegian industry, nationally and internationally. The competence of the research and development institutions has been further developed within the subjects of catalysis, reactor technology and chemical engineering. These subjects are of central importance irrespective of whether or not the gas is to be utilized with or without CO{sub 2} deposition, for synthetic diesel, for methanol, for olefins, for proteins, for hydrogen or other purposes. The main purpose of the programme discussed was to educate PhDs and to develop skill of strategic importance for Norwegian industry. There are sections on synthesis gas, direct conversion, methanol to olefins, fluidized bed reactors and system technology.

  19. Natural Gamma Emitters after a Selective Chemical Separation of a TENORM residue: Preliminary Results

    International Nuclear Information System (INIS)

    Alves de Freitas, Antonio; Abrao, Alcidio; Godoy dos Santos, Adir Janete; Pecequilo, Brigitte Roxana Soreanu

    2008-01-01

    An analytical procedure was established in order to obtain selective fractions containing radium isotopes ( 228 Ra), thorium ( 232 Th), and rare earths from RETOTER (REsiduo de TOrio e TErras Raras), a solid residue rich in rare earth elements, thorium isotopes and small amount of natural uranium generated from the operation of a thorium pilot plant for purification and production of pure thorium nitrate at IPEN -CNEN/SP. The paper presents preliminary results of 228 Ra, 226 Ra, 238 U, 210 Pb, and 40 K concentrations in the selective fractions and total residue determined by high-resolution gamma spectroscopy, considering radioactive equilibrium of the samples

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

    Science.gov (United States)

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

    2017-06-29

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

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

    Science.gov (United States)

    Ouwerkerk, Ronald; Bottomley, Paul A.

    2001-04-01

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

  2. Investigation of chemical modifiers for the determination of lead in fertilizers and limestone using graphite furnace atomic absorption spectrometry with Zeeman-effect background correction and slurry sampling

    Energy Technology Data Exchange (ETDEWEB)

    Borges, Aline R. [Instituto de Química, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, 91501-970 Porto Alegre, RS (Brazil); Instituto Nacional de Ciência e Tecnologia do CNPq–INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Becker, Emilene M.; Dessuy, Morgana B. [Instituto de Química, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, 91501-970 Porto Alegre, RS (Brazil); Vale, Maria Goreti R., E-mail: mgrvale@ufrgs.br [Instituto de Química, Universidade Federal do Rio Grande do Sul, Av. Bento Gonçalves 9500, 91501-970 Porto Alegre, RS (Brazil); Instituto Nacional de Ciência e Tecnologia do CNPq–INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Welz, Bernhard [Instituto Nacional de Ciência e Tecnologia do CNPq–INCT de Energia e Ambiente, Universidade Federal da Bahia, Salvador, BA (Brazil); Departamento de Química, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC (Brazil)

    2014-02-01

    In this work, chemical modifiers in solution (Pd/Mg, NH{sub 4}H{sub 2}PO{sub 4} and NH{sub 4}NO{sub 3}/Pd) were compared with permanent modifiers (Ir and Ru) for the determination of lead in fertilizer and limestone samples using slurry sampling and graphite furnace atomic absorption spectrometry with Zeeman-effect background correction. The analytical line at 283.3 nm was used due to some spectral interference observed at 217.0 nm. The NH{sub 4}H{sub 2}PO{sub 4} was abandoned due to severe spectral interference even at the 283.3-nm line. For Pd/Mg and NH{sub 4}NO{sub 3}/Pd the optimum pyrolysis and atomization temperatures were 900 °C and 1900 °C, respectively. For Ru and Ir, the integrated absorbance signal was stable up to pyrolysis temperatures of 700 °C and 900 °C, respectively, and up to atomization temperature of 1700 °C. The limit of detection (LOD) was 17 ng g{sup −1} using Pd/Mg and 29 ng g{sup −1} using NH{sub 4}NO{sub 3}/Pd. Among the permanent modifiers investigated, the LOD was 22 ng g{sup −1} Pb for Ir and 10 ng g{sup −1} Pb for Ru. The accuracy of the method was evaluated using the certified reference material NIST SRM 695. Although Ru provided lower LOD, which can be attributed to a lower blank signal, only the modifiers in solution showed concordant values of Pb concentration for the NIST SRM 695 and the most of analyzed samples. Moreover, the Pd/Mg modifier provided the highest sensitivity and for this reason it is more suitable for the determination of Pb in fertilizers samples in slurry; besides this it presented a better signal-to-noise ratio than NH{sub 4}NO{sub 3}/Pd. - Highlights: • Lead has been determined in fertilizers using slurry sampling GF AAS. • The mixture of palladium and magnesium nitrates was found to be the ideal chemical modifier. • Calibration could be carried out against aqueous standard solutions. • The proposed method is much faster than the EPA method, which includes sample digestion.

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

    Science.gov (United States)

    Vergel, Cristina; Mendiguchía, Carolina; Moreno, Carlos

    2018-04-15

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

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

    Directory of Open Access Journals (Sweden)

    Abd El-Ghany Nesreen M.

    2016-12-01

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

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

    Directory of Open Access Journals (Sweden)

    Cristina Vergel

    2018-04-01

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

  6. Expanding the chemical space for natural products by Aspergillus-Streptomyces co-cultivation and biotransformation

    Science.gov (United States)

    Wu, Changsheng; Zacchetti, Boris; Ram, Arthur F.J.; van Wezel, Gilles P.; Claessen, Dennis; Hae Choi, Young

    2015-01-01

    Actinomycetes and filamentous fungi produce a wide range of bioactive compounds, with applications as antimicrobials, anticancer agents or agrochemicals. Their genomes contain a far larger number of gene clusters for natural products than originally anticipated, and novel approaches are required to exploit this potential reservoir of new drugs. Here, we show that co-cultivation of the filamentous model microbes Streptomyces coelicolor and Aspergillus niger has a major impact on their secondary metabolism. NMR-based metabolomics combined with multivariate data analysis revealed several compounds that correlated specifically to co-cultures, including the cyclic dipeptide cyclo(Phe-Phe) and 2-hydroxyphenylacetic acid, both of which were produced by A. niger in response to S. coelicolor. Furthermore, biotransformation studies with o-coumaric acid and caffeic acid resulted in the production of the novel compounds (E)-2-(3-hydroxyprop-1-en-1-yl)-phenol and (2E,4E)-3-(2-carboxy-1-hydroxyethyl)-2,4-hexadienedioxic acid, respectively. This highlights the utility of microbial co-cultivation combined with NMR-based metabolomics as an efficient pipeline for the discovery of novel natural products. PMID:26040782

  7. Development of soil-cement blocks with three interventions: natural soil, soil corrected with sand and soil more phase change materials (PCMs)

    International Nuclear Information System (INIS)

    Dantas, Valter Bezerra; Gomes, Uilame Umbelino; Reis, Edmilson Pedreira; Valcacer, Samara Melo; Silva, A.S.

    2014-01-01

    In this work, the results of characterization tests of soil samples collected in Mossoro-RN, UFERSA-RN Campus, located approximately 20 meters high, and "5 ° 12'34.68 south latitude and 37 ° 19'5.74 "west longitude, with the purpose of producing soil-cement for the manufacture of pressed blocks with good resistance to compression and thermal stability. The following tests were performed: granulometry, plasticity limit, liquidity limit, particle size correction, scanning electron microscopy (SEM), X-ray fluorescence. In this soil, based on the results of the granulometric analysis, 10% of medium sand with 3% and 5% of eicosane paraffin and 10% of medium sand with 3% and 5% of paraffin 120 / 125F were added, forming analysis compositions, standard soil-cement block and natural soil-cement block with addition of 10% medium sand and 0% paraffin. Paraffins are referred to as PCMs (Phase Change Material). The contrasting effect between the different dosages on the compressive strength values of the soil-cement blocks was observed. The objective is to create new materials that give the block quality equal to or higher than the recommendations of ABNT norms, and that offer greater thermal comfort in the constructions. Soil particles of different sizes were added to 8% (by weight) of cement, and about 9.20% of water added to the mixture

  8. IMPROVING POSTHARVEST VASE-LIFE AND QUALITY OF CUT GERBERA FLOWERS USING NATURAL AND CHEMICAL PRESERVATIVES

    Directory of Open Access Journals (Sweden)

    Mehrdad Jafarpour

    2015-06-01

    Full Text Available Gerbera is one of ten popular cut flowers in the world which occupies the forth place according to the global trends in floriculture. Hence, this study aimed to investigate the effects of chemical, hormonal and essential oil substances in preservative solutions to improve its postharvest qualitative characteristics. Two pulse treatments including distilled water (pulse1 and 4% CaCl2 + 3% sucrose (pulse2 for 24 hour were applied before long-time treatments. Long-time treatments were comprised of (1 Hormonal treatments: 0, 25, 30 mg*l-1 Gibberellic acid, 0, 150, 250 mg*l-1 Benzyl adenine and 0, 100, 200 mg*l-1 5-Sulfosalicylic acid (2 Chemical treatments: 0, 0.4, 0.8 mM Silver thiosulphate, 0, 5, 10 mg*l-1 Nano-silver particles, 0, 4, 6 mM Aminooxy acetic acid and 0, 200 and 400 mg*l-1 8-hydroxyquinoline sulphate (3 Essential oils: Thymus essential oil and Stevia essential oils (0, 0.1 and 0.2 mg*l-1. Data were subjected to analysis of variance based on the factorial experiment model in the layout completely randomized design. Mean comparison was performed using the Duncan’s multiple range test. Parameters of fresh weight, stem bending, capitulum diameter, carotenoid pigments of petal and vase-life longevity were evaluated during 12 days. The highest fresh weight was obtained when cut flowers were held in a solution containing pulse1 + 250 mg*l-1 BA. Among all treatments, 8-HQS treatment showed the best effects on preventing stem bending, increasing capitulum diameter and also on prolonging of vase-life, but nonetheless, the effects of pulse treatments and 8-HQS concentrations were insignificant. To conclude, 200 mg*l-1 8-HQS without pulse treatment has the potential to be used as a commercial preservative solution to improve the keeping quality and vase-life of this important cut flower.

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

    International Nuclear Information System (INIS)

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

    1980-01-01

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

  10. The development of portable equipment to study physical and chemical phases in natural waters

    International Nuclear Information System (INIS)

    Breward, N.; Peachey, D.

    1988-08-01

    A direct and relatively non-invasive method of measuring the speciation of dissolved metals in groundwaters has been developed. The equipment relies on a series of columns containing DAEA cellulose, cation exchange resin and anion exchange resin to extract sequentially and respectively colloids, cationic and anionic species. Organic colloids are eluted from the DAEA cellulose with dilute caustic soda while the inorganic colloids (Fe/Al oxyhydroxide phase) are stripped with dilute mineral acid. A further advantage of this scheme is the ability to concentrate the phases by at least a factor of ten. Applications to the groundwaters of the natural analogue sites currently under study by BGS will offer a means of validating thermodynamic databases used in modelling speciation of radionuclides such as uranium and thorium. (author)

  11. Experimental and quantum chemical studies on poriferasterol - A natural phytosterol isolated from Cassia sophera Linn. (Caesalpiniaceae)

    Science.gov (United States)

    Brahmachari, Goutam; Mondal, Avijit; Nayek, Nayana; Kumar, Abhishek; Srivastava, Ambrish Kumar; Misra, Neeraj

    2017-09-01

    Poriferasterol, a biologically relevant phytosterol, has been isolated and identified first-time from Cassia sophera Linn. (family: Caesalpiniaceae) based on detailed spectral studies. Exhaustive theoretical studies on the molecular structure, vibrational spectra, HOMO, LUMO, MESP surfaces and reactivity descriptor of this plant-derived natural molecule have been performed. The experimentally observed FT-IR spectrum of the title compound has been compared with spectral data obtained by DFT-B3LYP/6-311 + G (d,p) method. The UV-visible spectrum of the title compound has also been recorded and the electronic properties, such as frontier orbitals and band gap energy are measured by TD-DFT approach. The 1H and 13C NMR spectrum has been calculated by using the gauge independent atomic orbital method and compared with the observed data.

  12. Redox oscillation impact on natural and engineered biogeochemical systems: chemical resilience and implications for contaminant mobility

    Energy Technology Data Exchange (ETDEWEB)

    Charlet, Laurent [ISTerre, University of Grenoble, B.P. 53X, 38041 Grenoble (France); Institut Universitaire de France, Paris (France); Markelova, Ekaterina [ISTerre, University of Grenoble, B.P. 53X, 38041 Grenoble (France); Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, ON N2L3G1 4 (Canada); Parsons, Chris; Couture, Raoul-Marie [Department of Earth and Environmental Sciences, University of Waterloo, Waterloo, ON N2L3G1 4 (Canada); Made, Benoit [Andra / DRD-TR, Direction Recherche et Developpement, 1-7 rue Jean Monnet, 92298 Chatenay-Malabry cedex (France)

    2013-07-01

    Many geochemical systems fluctuate regularly from oxic to anoxic conditions (flooded soils and nuclear waste surface repositories, for instance). In these conditions many inorganic contaminants including Sb, Se, Cr, As, and U are highly sensitive to changes in redox conditions. These oscillations may result in changes to their speciation, toxicity, and mobility. We demonstrate through the combination of redox-stat batch-reactor experiments that periodic and cumulative changes to matrix mineralogy, contaminant speciation, and mineral surface properties occur following periodic cycles of reduction and oxidation. These changes result in both short-term (intra-cycle) and long-term (inter-cycle) changes to K{sub d} values for a range of redox sensitive contaminants. These results demonstrate that naturally occurring redox oscillations may result in long-term immobilization of contaminants in the solid phase in addition to short-term variations in mobility. (authors)

  13. Hydroxyapatite-based porous aggregates: physico-chemical nature, structure, texture and architecture.

    Science.gov (United States)

    Fabbri, M; Celotti, G C; Ravaglioli, A

    1995-02-01

    At the request of medical teams from the maxillofacial sector, a highly porous ceramic support based on hydroxyapatite of around 70-80% porosity was produced with a pore size distribution similar to bone texture ( 150 microns, approximately 86 vol%). The ceramic substrates were conceived not only as a fillers for bone cavities, but also for use as drug dispensers and as supports to host cells to produce particular therapeutic agents. A method is suggested to obtain a substrate of high porosity, exploiting the impregnation of spongy substrate with hydroxyapatite ceramic particles. X-ray and scanning electron microscopy analyses were carried out to evaluate the nature of the new ceramic support in comparison with the most common commercial product; pore size distribution and porosity were controlled to known hydroxyapatite ceramic architecture for the different possible uses.

  14. Chemical and isotopic composition of natural waters in the Jizuki-yama landslide area, Nagano Prefecture

    Energy Technology Data Exchange (ETDEWEB)

    Yoshioka, Ryuma; Mashima, Kiyotaka; Koizumi, Naoji

    1988-10-01

    A large-scale landslide took place at a southeastern slope of Mt. Jizuki, Nagano Prefecture, on July 26, 1985. It has been said that landslide is closely related to the hydrological and hydrogeochemical nature of groundwater involved. To investigate the weathering mechanism and the origin of groundwater, we collected and analyzed water samples from the large-scale landslide area. The following facts can be pointed out: (1) weather-rock interaction is remarkably active in the landslide area, (2) most of the waters from the landslide area are in equilibrium with Na-montmorillonite (3) immediately after the landslide occurred bicarbonate and sodium ions are dominant, but sulfate and sodium ions become dominant with time, and (4) groundwater passing through horizontally drilled holes dose not effectively drain off to stabilize a slope in the landslide area. And our hypothesis on the mechanism for the formation of sodium sulfate type water is also presented.

  15. Exposure pathways and health effects associated with chemical and radiological toxicity of natural uranium: a review.

    Science.gov (United States)

    Brugge, Doug; de Lemos, Jamie L; Oldmixon, Beth

    2005-01-01

    Natural uranium exposure derives from the mining, milling, and processing of uranium ore, as well as from ingestion of groundwater that is naturally contaminated with uranium. Ingestion and inhalation are the primary routes of entry into the body. Absorption of uranium from the lungs or digestive track is typically low but can vary depending on compound specific solubility. From the blood, two-thirds of the uranium is excreted in urine over the first 24 hours and up to 80% to 90% of uranium deposited in the bone leaves the body within 1.5 years. The primary health outcomes of concern documented with respect to uranium are renal, developmental, reproductive, diminished bone growth, and DNA damage. The reported health effects derive from experimental animal studies and human epidemiology. The Lowest Observed Adverse Effect Level (LOAEL) derived from animal studies is 50 microg/m3 for inhalation and 60 ug/kg body weight/day for ingestion. The current respiratory standard of the Occupational Safety and Health Administration (OSHA), 50 microg/m3, affords no margin of safety. Considering the safety factors for species and individual variation, the ingestion LOAEL corresponds to the daily consumption set by the World Health Organization Drinking Water Standard at 2 microg/L. Based on economic considerations, the United States Environmental Protection Agency maximum contaminant level is 30 microg/L. Further research is needed, with particular attention on the impact of uranium on indigenous populations, on routes of exposure in communities near uranium sites, on the combined exposures present at many uranium sites, on human developmental defects, and on health effects at or below established exposure standards.

  16. The nature of outsourced preclinical research--the example of chemical synthesis.

    Science.gov (United States)

    Festel, Gunter W

    2013-09-01

    The possibility to buy standardized external services or even new and innovative methods within drug discovery has increased dramatically during the last decades. Service providers are able to provide timely and efficient solutions to any given problem within preclinical research. The outsourcing behavior depends on the specific company type. Generally, the outsourcing level of emerging pharmaceutical and biotechnology companies is much higher than established companies due to low or missing internal resources. Whereas the "make-or-buy" decisions of large and fully integrated pharmaceutical companies are mainly competency driven, those of mid-size and small pharmaceutical, as well as biotech companies show a specific combination of cost/capacity and competency. The three different cooperation models "price competition", "project selection," and "strategic partnership" were identified. For all types of companies, the cooperation model of "strategic partnership" offers access to high-level expertise while reducing fixed costs and complexity. This was shown using chemical synthesis as an example but is also true for other areas of preclinical research.

  17. Hydraulic Behavior and Chemical Characterization of Lapilli as Material for Natural Filtering of Slurry

    Directory of Open Access Journals (Sweden)

    Nereida Falcón-Cardona

    2015-06-01

    Full Text Available Livestock effluents are a beneficial nutrient supply for crops, whereby their use is critical to ensure the sustainability of the farms global management. However, they can cause serious ecological problems if misused, polluting soils and groundwater. Combining “soft technology” and local materials is a low cost solution in terms of finance and energy. The REAGUA project (REuso AGUA, Water reuse in Spanish analyzes the possibility of using “picon” (lapilli as a material for the treatment of liquid manure from ruminants, for later use in subsurface drip irrigation system to produce forage and biofuels, in which the soil acts as a subsequent advanced treatment. A three-phase system, in which the effluent was poured with a vertical subsurface flow in an unsaturated medium, is designed. In order to determine the management conditions that optimize the filter, it was necessary to characterize the hydraulic behavior of lapilli and its ability to remove substances. Using three lapilli-filled columns, unsaturated flux, and a ruminant effluent, the reduction of chemical oxygen demand (COD, biochemical oxygen demand after 5 days (BOD5 and ammonia, phosphorus and suspension solids (SS obtained was over 80%, 90%, and 95% respectively, assumable values for irrigation.

  18. The chemical behavior of the transuranic elements and the barrier function in natural aquifer systems

    International Nuclear Information System (INIS)

    Jewett, J.R.

    1997-01-01

    In a geological repository for long-lived radioactive wastes, such as actinides and certain fission products, most of the stored radionuclides remain immobile in the particular geological formation. If any of these could possibly become mobile, only trace concentrations of a few radionuclides would result. Nevertheless, with an inventory in the repository of many tonnes of transuranic elements, the amounts that could disperse cannot be neglected. A critical assessment of the chemical behavior of these nuclides, especially their migration properties in the aquifer system around the repository site, is mandatory for analysis of the long-term safety. The chemistry requited for this includes many geochemical multicomponent reactions that are so far only partially understood and hich therefore can be quantified only incompletely. A few of these reactions have been discussed in this paper based on present knowledge. If a comprehensive discussion of the subject is impossible because of this ack of information then an attempt to emphasize the importance of the predominant geochemical reactions of the transuranic elements in various aquifer systems should be made

  19. Tracking ultrasonically structural changes of natural aquatic organic carbon: Chemical fractionation and spectroscopic approaches.

    Science.gov (United States)

    Al-Juboori, Raed A; Yusaf, Talal; Aravinthan, Vasantha; Bowtell, Leslie

    2016-02-01

    In this study, the structural alteration to DOC for a range of ultrasound treatments was investigated with chemical fractionation and UV-vis spectroscopic measurement. Ultrasound treatments were applied in continuous and pulsed modes at power levels of 48 and 84 W for effective treatment times of 5 and 15 min. Overall results show that the ultrasound treatments tended to degrade the hydrophobic aromatic fraction, while increasing the hydrophilic fraction to a lesser extent. The highest recorded reduction of hydrophobic DOC (17.8%) was achieved with pulse treatment of 84 W for15 min, while the highest increase in the hydrophilic DOC (10.5%) was obtained with continuous treatment at 84 W and 5 min. The optimal ultrasound treatment conditions were found to be pulse mode at high power and short treatment time, causing a minimal increase in the hydrophilic fraction of 1.3% with moderate removal of the hydrophobic fraction of 15.52%. The same treatment conditions, with longer treatment time, resulted in the highest removal of SUVA254 and SUVA280 of 17.09% and 16.93, respectively. These results indicate the potential for ultrasound treatments in DOC structural alteration. The hydrophobic fraction showed strong and significant correlations with UV absorbance at 254 and 280 nm. A254/A204 also exhibited strong and significant correlations with the hydrophobic/hydrophilic ratio. The other UV ratios (A250/A365 (E2/E3) and A254/A436) had weak and insignificant correlations with the hydrophobic/hydrophilic ratio. This confirms the applicability of UV indices as a suitable surrogate method for estimating the hydrophobic/hydrophilic structure. Copyright © 2015 Elsevier Ltd. All rights reserved.

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

    Science.gov (United States)

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

    2013-11-01

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

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

    Science.gov (United States)

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

    2016-12-01

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

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

    Science.gov (United States)

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

    2016-01-01

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

  3. Dextran-Catechin: An anticancer chemically-modified natural compound targeting copper that attenuates neuroblastoma growth

    Science.gov (United States)

    Vittorio, Orazio; Brandl, Miriam; Cirillo, Giuseppe; Kimpton, Kathleen; Hinde, Elizabeth; Gaus, Katharina; Yee, Eugene; Kumar, Naresh; Duong, Hien; Fleming, Claudia; Haber, Michelle; Norris, Murray; Boyer, Cyrille; Kavallaris, Maria

    2016-01-01

    Neuroblastoma is frequently diagnosed at advanced stage disease and treatment includes high dose chemotherapy and surgery. Despite the use of aggressive therapy survival rates are poor and children that survive their disease experience long term side effects from their treatment, highlighting the need for effective and less toxic therapies. Catechin is a natural polyphenol with anti-cancer properties and limited side effects, however its mechanism of action is unknown. Here we report that Dextran-Catechin, a conjugated form of catechin that increases serum stability, is preferentially and markedly active against neuroblastoma cells having high levels of intracellular copper, without affecting non-malignant cells. Copper transporter 1 (CTR1) is the main transporter of copper in mammalian cells and it is upregulated in neuroblastoma. Functional studies showed that depletion of CTR1 expression reduced intracellular copper levels and led to a decrease in neuroblastoma cell sensitivity to Dextran-Catechin, implicating copper in the activity of this compound. Mechanistically, Dextran-Catechin was found to react with copper, inducing oxidative stress and decreasing glutathione levels, an intracellular antioxidant and regulator of copper homeostasis. In vivo, Dextran-Catechin significantly attenuated tumour growth in human xenograft and syngeneic models of neuroblastoma. Thus, Dextran-Catechin targets copper, inhibits tumour growth, and may be valuable in the treatment of aggressive neuroblastoma and other cancers dependent on copper for their growth. PMID:27374085

  4. Chemical behaviour of americium in natural aquatic solutions: Hydrolysis, radiolysis and redox reactions

    International Nuclear Information System (INIS)

    Stadler, S.; Kim, J.I.

    1988-06-01

    Hydrolysis and redox reactions of the Am(III) and Am(V) ions have been investigated in NaClO 4 and NaCl solutions as well as in natural saline groundwaters. The hydrolysis constants of Am(OH) n 3-n species and the solubility product of Am(OH) 3 (s) have been determined in 0.1 M NaClO 4 , 0.1 M NaCl and 0.6 M NaCl solutions. As observed in concentrated NaCl solutions (> 3 M), the α-radiation induces the radiolytic oxidation of the Cl - -ion to produce Cl 2 , HClO, ClO - and other oxidized species, which result in a strongly oxidizing medium. Consequently Am(III) is oxidized to Am(V). Under these conditions the hydrolysis constants of AmO 2 (OH) n 1-n species and the solubility product are also determined. The α-radiation induced radiolysis reactions in NaCl solution and the subsequent oxidation reaction of Am(III) have been systematically investigated by varying pH, NaCl concentration and specific α-activity. Also included in the investigation are a few selected groundwaters of relatively high salinity from the Gorleben aquifer systems. (orig.) [de

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

    Energy Technology Data Exchange (ETDEWEB)

    Benson, R.L.; Brown, S.S.D.; Ferguson, S.P.; Jarvis, R.F. Jr. [Dow Corning Corp., Carrollton, KY (United States)

    1995-12-31

    The objectives of this program are to (a) develop a process for converting natural gas to methyl chloride via an oxyhydrochlorination route using highly selective, stable catalysts in a fixed-bed, (b) design a reactor capable of removing the large amount of heat generated in the process so as to control the reaction, (c) develop a recovery system capable of removing the methyl chloride from the product stream and (d) determine the economics and commercial viability of the process. The general approach has been as follows: (a) design and build a laboratory scale reactor, (b) define and synthesize suitable OHC catalysts for evaluation, (c) select first generation OHC catalyst for Process Development Unit (PDU) trials, (d) design, construct and startup PDU, (e) evaluate packed bed reactor design, (f) optimize process, in particular, product recovery operations, (g) determine economics of process, (h) complete preliminary engineering design for Phase II and (i) make scale-up decision and formulate business plan for Phase II. Conclusions regarding process development and catalyst development are presented.

  6. natural

    Directory of Open Access Journals (Sweden)

    Elías Gómez Macías

    2006-01-01

    Full Text Available Partiendo de óxido de magnesio comercial se preparó una suspensión acuosa, la cual se secó y calcinó para conferirle estabilidad térmica. El material, tanto fresco como usado, se caracterizó mediante DRX, área superficial BET y SEM-EPMA. El catalizador mostró una matriz de MgO tipo periclasa con CaO en la superficie. Las pruebas de actividad catalítica se efectuaron en lecho fijo empacado con partículas obtenidas mediante prensado, trituración y clasificación del material. El flujo de reactivos consistió en mezclas gas natural-aire por debajo del límite inferior de inflamabilidad. Para diferentes flujos y temperaturas de entrada de la mezcla reactiva, se midieron las concentraciones de CH4, CO2 y CO en los gases de combustión con un analizador de gases tipo infrarrojo no dispersivo (NDIR. Para alcanzar conversión total de metano se requirió aumentar la temperatura de entrada al lecho a medida que se incrementó el flujo de gases reaccionantes. Los resultados obtenidos permiten desarrollar un sistema de combustión catalítica de bajo costo con un material térmicamente estable, que promueva la alta eficiencia en la combustión de gas natural y elimine los problemas de estabilidad, seguridad y de impacto ambiental negativo inherentes a los procesos de combustión térmica convencional.

  7. Apoptotic role of natural isothiocyanate from broccoli (Brassica oleracea italica) in experimental chemical lung carcinogenesis.

    Science.gov (United States)

    Kalpana Deepa Priya, D; Gayathri, R; Gunassekaran, G R; Murugan, S; Sakthisekaran, D

    2013-05-01

    Sulforaphane (SFN) [1-isothiocyanato-4-(methylsulfinyl)butane] is a naturally occurring isothiocyanate found in cruciferous vegetables such as broccoli [Brassica oleracea L. var. italica Plenck. (Brassicaceae)]. Since it is among the most potent bioactive components with antioxidant and antitumor properties, it has received intense attention in the recent years for its chemopreventive properties. The present work determined the rehabilitating role in alleviating the oxidative damage caused by benzo(a)pyrene [B(a)P] to biomolecules and the apoptotic cascade mediated by orally administered isothiocyanate-SFN (9 µmol/mouse/day) against B(a)P (100 mg/kg body weight, i.p.) induced pulmonary carcinogenesis in Swiss albino mice. Oxidative damage was assessed by measuring lipid peroxidation, 8-hydroxydeoxyguanosine, hydrogen peroxide (H2O2) production, glycoprotein components, protein carbonyl levels and DNA-protein crosslinks. DNA fragmentation by agarose gel electrophoresis and caspase-3 activity by ELISA proved apoptotic induction by SFN along with the protein expression of Bcl-2, Bax and Cyt c. SFN treatment was found to decrease the H2O2 production (p < 0.001) in cancer induced animals, proving its antioxidant potential. Apoptosis was induced by increasing the release of Cyt c (p < 0.001) from mitochondria, decreasing and increasing the expression of Bcl-2 (p < 0.01) and Bax (p < 0.001), respectively. Caspase-3 activity was also enhanced (p < 0.001) which leads to DNA fragmentation in SFN treated groups. Our results reflect the rehabilitating role of SFN in B(a)P induced lung carcinogenesis.

  8. On the physical nature and chemical utility of Kohn-Sham orbitals

    International Nuclear Information System (INIS)

    Baerends, E.J.

    1996-01-01

    Density functional calculations almost invariably use the one-electron Kohn-Sham orbitals to calculate the electron density. It is sometimes stated that these KS orbitals have no special physical meaning, but are constructs, arising in the KS formulation of DFT, that are only useful to obtain the density. We will argue that on the contrary the KS orbitals are often very similar to the molecular orbitals that arise in the Hartree-Fock model. When they differ the Kohn-Sham orbitals have certain advantageous properties and correspond in fact more closely to the orbitals used explicitly or implicitly in qualitative MO theory. The arguments of QMO theory, with their emphasis on bonding and antibonding nature of MOs, do hold perfectly for KS orbitals. The reason that Kohn-Sham orbitals are meaningful objects is related to the fact that the effective one-electron Kohn-Sham potential embodies the effects of electron correlation. It has recently become possible to calculate accurate Kohn-Sham potentials from accurate electron densities. This offers the possibility to study the structure of KS potentials (steps, peaks) and to relate this structure to electron correlation. More importantly, given exact Kohn-Sham potentials and orbitals it is possible to construct an exchange-correlation energy density that will, after integration over space, yield the exact exchange-correlation energy. It is possible to relate the local features of the exact energy density to aspects of electron correlation. The exact energy density may be used to judge existing model exchange-correlation energy densities and hopefully it will be helpful to devise improvements

  9. Shell structure of natural rubber particles: evidence of chemical stratification by electrokinetics and cryo-TEM.

    Science.gov (United States)

    Rochette, Christophe N; Crassous, Jérôme J; Drechsler, Markus; Gaboriaud, Fabien; Eloy, Marie; de Gaudemaris, Benoît; Duval, Jérôme F L

    2013-11-26

    The interfacial structure of natural rubber (NR) colloids is investigated by means of cryogenic transmission electron microscopy (cryo-TEM) and electrokinetics over a broad range of KNO3 electrolyte concentrations (4-300 mM) and pH values (1-8). The asymptotic plateau value reached by NR electrophoretic mobility (μ) in the thin double layer limit supports the presence of a soft (ion- and water-permeable) polyelectrolytic type of layer located at the periphery of the NR particles. This property is confirmed by the analysis of the electron density profile obtained from cryo-TEM that evidences a ∼2-4 nm thick corona surrounding the NR polyisoprene core. The dependence of μ on pH and salt concentration is further marked by a dramatic decrease of the point of zero electrophoretic mobility (PZM) from 3.6 to 0.8 with increasing electrolyte concentration in the range 4-300 mM. Using a recent theory for electrohydrodynamics of soft multilayered particles, this "anomalous" dependence of the PZM on electrolyte concentration is shown to be consistent with a radial organization of anionic and cationic groups across the peripheral NR structure. The NR electrokinetic response in the pH range 1-8 is indeed found to be equivalent to that of particles surrounded by a positively charged ∼3.5 nm thick layer (mean dissociation pK ∼ 4.2) supporting a thin and negatively charged outermost layer (0.6 nm in thickness, pK ∼ 0.7). Altogether, the strong dependence of the PZM on electrolyte concentration suggests that the electrostatic properties of the outer peripheral region of the NR shell are mediated by lipidic residues protruding from a shell containing a significant amount of protein-like charges. This proposed NR shell interfacial structure questions previously reported NR representations according to which the shell consists of either a fully mixed lipid-protein layer, or a layer of phospholipids residing exclusively beneath an outer proteic film.

  10. Structural chemical analysis of liquid metals based on discrete nature studies of changes in physical properties

    International Nuclear Information System (INIS)

    Filippov, E.S.

    1976-01-01

    In terms of a theory of liquid metals which is based upon a notion of spheric groups disintegrating according to the melting type a coordination number (K) for 22 metals is calculated from the type of packing in groups (Ksub(T)) and a computed statistical packing (Ksub(s.p.) = 6.5 - 4.5). The diffraction K is presented as a sum of Ksub(T) and Ksub(s.p.) groups. Packing type in Ksub(T) groups is established by experiments on density as a function of temperature, which has revealed the stage (discrete) nature of density changes. The ratio between the temperature of the beginning and termination of a stage is equal to the packing coefficient in a group (0.74; 0,68; 0.50). For densely packed groups at Tsub(m(it is shown that K)sub(l) = 0.74 Ksub(T + 0.26XKsub(s.p.) (if Ksub(T) = 12, Ksub(l) = 10.4). If the number of splitting stages (p) is less than three, then Ksub(l) = 0.74 2 Ksub(T) + 2(1 - 0.74 2 ) Ksub(s.p.) When Ksub(T) = 8 (for alkaline metals and iron), Ksub(l) = 9.5. It has been found for liquid inert groups that Ksub(l) = 8.7. Liquid Sn and Bi prove to be a mixture of densest cubic (d.c.) and volume-centred cubic (v.c.c.) groups. The fractions of each group have been calculated; Bi consists of 30% v.c.c. and 70% d.c., Sn of 54% d.c. and 46% v.c.c. grouops. The diffraction (total) K in liquid metals appears to be a parameter different from K in solid ones, being a function of structural components of the groups and packing of atoms between the groups, rather than a definite characteristic of liquid metals structure

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

    International Nuclear Information System (INIS)

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

    1990-01-01

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

  12. 210Pb content in natural gas pipeline residues ('black-powder') and its correlation with the chemical composition

    International Nuclear Information System (INIS)

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

    2005-01-01

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

  13. Antidotal or protective effects of Curcuma longa (turmeric) and its active ingredient, curcumin, against natural and chemical toxicities: A review.

    Science.gov (United States)

    Hosseini, Azar; Hosseinzadeh, Hossein

    2018-03-01

    Curcuma longa is a rhizomatous perennial herb that belongs to the family Zingiberaceae, native to South Asia and is commonly known as turmeric. It is used as herbal remedy due to the prevalent belief that the plant has medical properties. C. longa possesses different effects such as antioxidant, anti-tumor, antimicrobial, anti-inflammatory, wound healing, and gastroprotective activities. The recent studies have shown that C. longa and curcumin, its important active ingredient, have protective effects against toxic agents. In this review article, we collected in vitro and animal studies which are related to protective effects of turmeric and its active ingredient against natural and chemical toxic agents. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

  14. [Physico-chemical features of dinitrosyl iron complexes with natural thiol-containing ligands underlying biological activities of these complexes].

    Science.gov (United States)

    Vanin, A F; Borodulin, R R; Kubrina, L N; Mikoian, V D; Burbaev, D Sh

    2013-01-01

    Current notions and new experimental data of the authors on physico-chemical features of dinitrosyl iron complexes with natural thiol-containing ligands (glutathione or cysteine), underlying the ability of the complexes to act as NO molecule and nitrosonium ion donors, are considered. This ability determines various biological activities of dinitrosyl iron complexes--inducing long-lasting vasodilation and thereby long-lasting hypotension in human and animals, inhibiting pellet aggregation, increasing red blood cell elasticity, thereby stimulating microcirculation, and reducing necrotic zone in animals with myocardial infarction. Moreover, dinitrosyl iron complexes are capable of accelerating skin wound healing, improving the function of penile cavernous tissue, blocking apoptosis development in cell cultures. When decomposed dinitrosyl iron complexes can exert cytotoxic effect that can be used for curing infectious and carcinogenic pathologies.

  15. Effect of methionine and cysteine deprivation on growth of different natural isolates of Lactobacillus spp. in chemically defined media

    Directory of Open Access Journals (Sweden)

    Lozo Jelena

    2008-01-01

    Full Text Available The purpose of this study was to determine the ability of natural isolates of lactobacilli from different ecological niches to grow in a chemically defined medium in the presence or absence of sulphur-containing amino acids, methionine and/or cysteine. The obtained results indicate that cysteine is essential for growth of L. paracasei subsp. paracasei BGHN14 and BGSJ2-8, while methionine is essential for isolates BGHN40, BGCG31, and BGHV54T of the species L. plantarum. Methionine is also essential for growth of L. rhamnosus BGHV58T. Other analyzed strains, such as L. plantarum BGSJ3-18, BGZB19, BGHV52Ta, and BGHV43T, require the presence of both amino acids for their growth.

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

    Science.gov (United States)

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

    2017-11-01

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

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

    International Nuclear Information System (INIS)

    Azmairit Aziz; Nana Suherman

    2015-01-01

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

  18. Impact of the changes in the chemical composition of pore water on chemical and physical stability of natural clays. A review of natural cases and related laboratory experiments and the ideas on natural analogues for bentonite erosion/non-erosion

    Energy Technology Data Exchange (ETDEWEB)

    Puura, Erik (Eridicon OUe, Tartu (Estonia)); Kirsimaee, Kalle (Univ. of Tartu, Inst. of Ecology and Earth Sciences, Tartu (Estonia))

    2010-01-15

    A scientific literature survey was compiled with the specific objective to find information for smectite mobilization and/or retention in natural clay formations caused by contact with water with low ionic concentrations such as can be expected during and after an ice age. Evidence was sought if smectite particles are lost from the clay to the water and if accessory minerals that remain could form a growing filter slowing down or stopping further loss of smectite. Bentonites are present in geological layers for hundreds of millions of years. There is limited exchange with surrounding layers, eg K transported into the bentonite layer from surrounding shale layers leading to the increased illite % in smectite-illite of the bentonite. Another process is silicification of surrounding layers leading to lowered permeability of surrounding rocks. Geological literature data on historical bentonites do not consider colloid formation in low ionic strength water as relevant mechanism for smectite mobilization. However there are no studied cases where this could be a relevant mechanism (as proposed by colloid release scenario). Soil researchers have studied the mechanism of colloid release in laboratory experiments and have found that there has to be an abrupt change in infiltrating water quality leading to 'osmotic explosion'. Clogging the pores in the lower part of the soil column has followed, leading to dramatic decrease of hydraulic conductivity in vertical profile and increased surface runoff. So, although limited, there are literature evidences of clay colloids release from bentonites/smectites caused by low-ionic circumneutral water. The geological settings to look for natural analogue studies include (1) Bentonite/smectite similar to what is used in repository. (2) Water similar to the composition of glacial meltwater. (3) Scenario similar to what is proposed in the bentonite erosion project. The problem related to the study of historical bentonite profiles

  19. Impact of the changes in the chemical composition of pore water on chemical and physical stability of natural clays. A review of natural cases and related laboratory experiments and the ideas on natural analogues for bentonite erosion/non-erosion

    International Nuclear Information System (INIS)

    Puura, Erik; Kirsimaee, Kalle

    2010-01-01

    A scientific literature survey was compiled with the specific objective to find information for smectite mobilization and/or retention in natural clay formations caused by contact with water with low ionic concentrations such as can be expected during and after an ice age. Evidence was sought if smectite particles are lost from the clay to the water and if accessory minerals that remain could form a growing filter slowing down or stopping further loss of smectite. Bentonites are present in geological layers for hundreds of millions of years. There is limited exchange with surrounding layers, eg K transported into the bentonite layer from surrounding shale layers leading to the increased illite % in smectite-illite of the bentonite. Another process is silicification of surrounding layers leading to lowered permeability of surrounding rocks. Geological literature data on historical bentonites do not consider colloid formation in low ionic strength water as relevant mechanism for smectite mobilization. However there are no studied cases where this could be a relevant mechanism (as proposed by colloid release scenario). Soil researchers have studied the mechanism of colloid release in laboratory experiments and have found that there has to be an abrupt change in infiltrating water quality leading to 'osmotic explosion'. Clogging the pores in the lower part of the soil column has followed, leading to dramatic decrease of hydraulic conductivity in vertical profile and increased surface runoff. So, although limited, there are literature evidences of clay colloids release from bentonites/smectites caused by low-ionic circumneutral water. The geological settings to look for natural analogue studies include (1) Bentonite/smectite similar to what is used in repository. (2) Water similar to the composition of glacial meltwater. (3) Scenario similar to what is proposed in the bentonite erosion project. The problem related to the study of historical bentonite profiles is the

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

    International Nuclear Information System (INIS)

    Bill Carey; Gordon Keating; Peter C. Lichtner

    1999-01-01

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

  1. Low Cost Chemical Feedstocks Using an Improved and Energy Efficient Natural Gas Liquid (NGL) Removal Process, Final Technical Report

    Energy Technology Data Exchange (ETDEWEB)

    Meyer, Howard, S.; Lu, Yingzhong

    2012-08-10

    The overall objective of this project is to develop a new low-cost and energy efficient Natural Gas Liquid (NGL) recovery process - through a combination of theoretical, bench-scale and pilot-scale testing - so that it could be offered to the natural gas industry for commercialization. The new process, known as the IROA process, is based on U.S. patent No. 6,553,784, which if commercialized, has the potential of achieving substantial energy savings compared to currently used cryogenic technology. When successfully developed, this technology will benefit the petrochemical industry, which uses NGL as feedstocks, and will also benefit other chemical industries that utilize gas-liquid separation and distillation under similar operating conditions. Specific goals and objectives of the overall program include: (i) collecting relevant physical property and Vapor Liquid Equilibrium (VLE) data for the design and evaluation of the new technology, (ii) solving critical R&D issues including the identification of suitable dehydration and NGL absorbing solvents, inhibiting corrosion, and specifying proper packing structure and materials, (iii) designing, construction and operation of bench and pilot-scale units to verify design performance, (iv) computer simulation of the process using commercial software simulation platforms such as Aspen-Plus and HYSYS, and (v) preparation of a commercialization plan and identification of industrial partners that are interested in utilizing the new technology. NGL is a collective term for C2+ hydrocarbons present in the natural gas. Historically, the commercial value of the separated NGL components has been greater than the thermal value of these liquids in the gas. The revenue derived from extracting NGLs is crucial to ensuring the overall profitability of the domestic natural gas production industry and therefore of ensuring a secure and reliable supply in the 48 contiguous states. However, rising natural gas prices have dramatically reduced

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

    Directory of Open Access Journals (Sweden)

    Hamed Mirhosseini

    2012-11-01

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

  3. Publisher Correction

    DEFF Research Database (Denmark)

    Turcot, Valérie; Lu, Yingchang; Highland, Heather M

    2018-01-01

    In the published version of this paper, the name of author Emanuele Di Angelantonio was misspelled. This error has now been corrected in the HTML and PDF versions of the article.......In the published version of this paper, the name of author Emanuele Di Angelantonio was misspelled. This error has now been corrected in the HTML and PDF versions of the article....

  4. Author Correction

    DEFF Research Database (Denmark)

    Grundle, D S; Löscher, C R; Krahmann, G

    2018-01-01

    A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has not been fixed in the paper.......A correction to this article has been published and is linked from the HTML and PDF versions of this paper. The error has not been fixed in the paper....

  5. VirtualToxLab — A platform for estimating the toxic potential of drugs, chemicals and natural products

    Energy Technology Data Exchange (ETDEWEB)

    Vedani, Angelo, E-mail: angelo.vedani@unibas.ch [Biographics Laboratory 3R, Klingelbergstrasse 50, 4056 Basel (Switzerland); Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, 4056 Basel (Switzerland); Dobler, Max [Biographics Laboratory 3R, Klingelbergstrasse 50, 4056 Basel (Switzerland); Smieško, Martin [Department of Pharmaceutical Sciences, University of Basel, Klingelbergstrasse 50, 4056 Basel (Switzerland)

    2012-06-01

    The VirtualToxLab is an in silico technology for estimating the toxic potential (endocrine and metabolic disruption, some aspects of carcinogenicity and cardiotoxicity) of drugs, chemicals and natural products. The technology is based on an automated protocol that simulates and quantifies the binding of small molecules towards a series of proteins, known or suspected to trigger adverse effects. The toxic potential, a non-linear function ranging from 0.0 (none) to 1.0 (extreme), is derived from the individual binding affinities of a compound towards currently 16 target proteins: 10 nuclear receptors (androgen, estrogen α, estrogen β, glucocorticoid, liver X, mineralocorticoid, peroxisome proliferator-activated receptor γ, progesterone, thyroid α, and thyroid β), four members of the cytochrome P450 enzyme family (1A2, 2C9, 2D6, and 3A4), a cytosolic transcription factor (aryl hydrocarbon receptor) and a potassium ion channel (hERG). The interface to the technology allows building and uploading molecular structures, viewing and downloading results and, most importantly, rationalizing any prediction at the atomic level by interactively analyzing the binding mode of a compound with its target protein(s) in real-time 3D. The VirtualToxLab has been used to predict the toxic potential for over 2500 compounds: the results are posted on (http://www.virtualtoxlab.org). The free platform — the OpenVirtualToxLab — is accessible (in client–server mode) over the Internet. It is free of charge for universities, governmental agencies, regulatory bodies and non-profit organizations. -- Highlights: ► In silico technology for estimating the toxic potential of drugs and chemicals. ► Simulation of binding towards 16 proteins suspected to trigger adverse effects. ► Mechanistic interpretation and real-time 3D visualization. ► Accessible over the Internet. ► Free of charge for universities, governmental agencies, regulatory bodies and NPOs.

  6. In vitro antimicrobial activity of auxiliary chemical substances and natural extracts on Candida albicans and Enterococcus faecalis in root canals

    Directory of Open Access Journals (Sweden)

    Marcia Carneiro Valera

    2013-04-01

    Full Text Available Objective: The aim of this study was to evaluate the antimicrobial activity of auxiliary chemical substances and natural extracts on Candida albicans and Enterococcus faecalis inoculated in root canals. Material and Methods: Seventy-two human tooth roots were contaminated with C. albicans and E. faecalis for 21 days. The groups were divided according to the auxiliary chemical substance into: G1 2.5% sodium hypochlorite (NaOCl, G2 2% chlorhexidine gel (CHX, G3 castor oil, G4 glycolic Aloe vera extract, G5 glycolic ginger extract, and G6 sterile saline (control. The samples of the root canal were collected at different intervals: confirmation collection, at 21 days after contamination; 1st collection, after instrumentation; and 2nd collection, seven days after instrumentation. Microbiological samples were grown in culture medium and incubated at 37°C for 48 hours. Results: The results were submitted to the Kruskal-Wallis and Dunn (5% statistical tests. NaOCl and CHX completely eliminated the microorganisms of the root canals. Castor oil and ginger significantly reduced the number of CFU of the tested bacteria. Reduction of CFU/mL at the 1st and 2nd collections for groups G1, G2, G3 and G4 was greater in comparison to groups G5 and G6. Conclusion: It was concluded that 2.5% sodium hypochlorite and 2% chlorhexidine gel were more effective in eliminating C. albicans and E. faecalis, followed by the castor oil and glycolic ginger extract. The Aloe vera extract showed no antimicrobial activity.

  7. VirtualToxLab — A platform for estimating the toxic potential of drugs, chemicals and natural products

    International Nuclear Information System (INIS)

    Vedani, Angelo; Dobler, Max; Smieško, Martin

    2012-01-01

    The VirtualToxLab is an in silico technology for estimating the toxic potential (endocrine and metabolic disruption, some aspects of carcinogenicity and cardiotoxicity) of drugs, chemicals and natural products. The technology is based on an automated protocol that simulates and quantifies the binding of small molecules towards a series of proteins, known or suspected to trigger adverse effects. The toxic potential, a non-linear function ranging from 0.0 (none) to 1.0 (extreme), is derived from the individual binding affinities of a compound towards currently 16 target proteins: 10 nuclear receptors (androgen, estrogen α, estrogen β, glucocorticoid, liver X, mineralocorticoid, peroxisome proliferator-activated receptor γ, progesterone, thyroid α, and thyroid β), four members of the cytochrome P450 enzyme family (1A2, 2C9, 2D6, and 3A4), a cytosolic transcription factor (aryl hydrocarbon receptor) and a potassium ion channel (hERG). The interface to the technology allows building and uploading molecular structures, viewing and downloading results and, most importantly, rationalizing any prediction at the atomic level by interactively analyzing the binding mode of a compound with its target protein(s) in real-time 3D. The VirtualToxLab has been used to predict the toxic potential for over 2500 compounds: the results are posted on (http://www.virtualtoxlab.org). The free platform — the OpenVirtualToxLab — is accessible (in client–server mode) over the Internet. It is free of charge for universities, governmental agencies, regulatory bodies and non-profit organizations. -- Highlights: ► In silico technology for estimating the toxic potential of drugs and chemicals. ► Simulation of binding towards 16 proteins suspected to trigger adverse effects. ► Mechanistic interpretation and real-time 3D visualization. ► Accessible over the Internet. ► Free of charge for universities, governmental agencies, regulatory bodies and NPOs.

  8. Evolution of the chemical bonding nature and electrode activity of indium selenide upon the composite formation with graphene nanosheets

    International Nuclear Information System (INIS)

    Oh, Seung Mi; Lee, Eunsil; Adpakpang, Kanyaporn; Patil, Sharad B.; Park, Mi Jin; Lim, Young Soo; Lee, Kyu Hyoung; Kim, Jong-Young; Hwang, Seong-Ju

    2015-01-01

    Graphical abstract: Display Omitted -- Highlights: • In 4 Se 2.85 @graphene nanocomposite is easily prepared by high energy mechanical milling process. • The bond covalency of In 4 Se 2.85 is notably changed upon the composite formation with graphene. • In 4 Se 2.85 @graphene nanocomposite shows promising anode performance for lithium ion battery. -- Abstract: Evolution of the chemical bonding nature and electrochemical activity of indium selenide upon the composite formation with carbon species is systematically investigated. Nanocomposites of In 4 Se 2.85 @graphene and In 4 Se 2.85 @carbon-black are synthesized via a solid state reaction between In and Se elements, and the following high energy mechanical milling of In 4 Se 2.85 with graphene and carbon-black, respectively. The high energy mechanical milling (HEMM) of In 4 Se 2.85 with carbon species gives rise to a decrease of particle size with a significant depression of the crystallinity of In 4 Se 2.85 phase. In contrast to the composite formation with carbon-black, that with graphene induces a notable decrease of (In−Se) bond covalency, underscoring significant chemical interaction between graphene and In 4 Se 2.85 . Both the nanocomposites of In 4 Se 2.85 @graphene and In 4 Se 2.85 @carbon-black show much better anode performance for lithium ion batteries with larger discharge capacity and better cyclability than does the pristine In 4 Se 2.85 material, indicating the beneficial effect of composite formation on the electrochemical activity of indium selenide. Between the present nanocomposites, the electrode performance of the In 4 Se 2.85 @graphene nanocomposite is superior to that of the In 4 Se 2.85 @carbon-black nanocomposite, which is attributable to the weakening of (In−Se) bonds upon the composite formation with graphene as well as to the better mixing between In 4 Se 2.85 and graphene. The present study clearly demonstrates that the composite formation with graphene has strong influence

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

    Directory of Open Access Journals (Sweden)

    Jerry L. R. Chandler

    2017-01-01

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

  10. Near-infrared spectra of Penicillium camemberti strains separated by extended multiplicative signal correction improved prediction of physical and chemical variations

    DEFF Research Database (Denmark)

    Decker, Marianne; Nielsen, Per Væggemose; Martens, Harald

    2005-01-01

    signal correction (TWEMSC) preprocessing, whereby three patterns of variation in near-infrared (NIR) log(1/R) spectra of fungal colonies could be separated mathematically: (1) physical light scattering and its wavelength dependency, (2) differences in light absorption of water due to varying sample...

  11. Analysis of Combined Cycle Power Plants with Chemical Looping Reforming of Natural Gas and Pre-Combustion CO2 Capture

    Directory of Open Access Journals (Sweden)

    Shareq Mohd Nazir

    2018-01-01

    Full Text Available In this paper, a gas-fired combined cycle power plant subjected to a pre-combustion CO2 capture method has been analysed under different design conditions and different heat integration options. The power plant configuration includes the chemical looping reforming (CLR of natural gas (NG, water gas shift (WGS process, CO2 capture and compression, and a hydrogen fuelled combined cycle to produce power. The process is denoted as a CLR-CC process. One of the main parameters that affects the performance of the process is the pressure for the CLR. The process is analysed at different design pressures for the CLR, i.e., 5, 10, 15, 18, 25 and 30 bar. It is observed that the net electrical efficiency increases with an increase in the design pressure in the CLR. Secondly, the type of steam generated from the cooling of process streams also effects the net electrical efficiency of the process. Out of the five different cases including the base case presented in this study, it is observed that the net electrical efficiency of CLR-CCs can be improved to 46.5% (lower heating value of NG basis by producing high-pressure steam through heat recovery from the pre-combustion process streams and sending it to the Heat Recovery Steam Generator in the power plant.

  12. Assessment of multiple sources of anthropogenic and natural chemical inputs to a morphologically complex basin, Lake Mead, USA

    Science.gov (United States)

    Rosen, Michael R.; Van Metre, P.C.

    2010-01-01

    Lakes with complex morphologies and with different geologic and land-use characteristics in their sub-watersheds could have large differences in natural and anthropogenic chemical inputs to sub-basins in the lake. Lake Mead in southern Nevada and northern Arizona, USA, is one such lake. To assess variations in chemical histories from 1935 to 1998 for major sub-basins of Lake Mead, four sediment cores were taken from three different parts of the reservoir (two from Las Vegas Bay and one from the Overton Arm and Virgin Basin) and analyzed for major and trace elements, radionuclides, and organic compounds. As expected, anthropogenic contaminant inputs are greatest to Las Vegas Bay reflecting inputs from the Las Vegas urban area, although concentrations are low compared to sediment quality guidelines and to other USA lakes. One exception to this pattern was higher Hg in the Virgin Basin core. The Virgin Basin core is located in the main body of the lake (Colorado River channel) and is influenced by the hydrology of the Colorado River, which changed greatly with completion of Glen Canyon Dam upstream in 1963. Major and trace elements in the core show pronounced shifts in the early 1960s and, in many cases, gradually return to concentrations more typical of pre-1960s by the 1980s and 1990s, after the filling of Lake Powell. The Overton Arm is the sub-basin least effected by anthropogenic contaminant inputs but has a complex 137Cs profile with a series of large peaks and valleys over the middle of the core, possibly reflecting fallout from nuclear tests in the 1950s at the Nevada Test Site. The 137Cs profile suggests a much greater sedimentation rate during testing which we hypothesize results from greatly increased dust fall on the lake and Virgin and Muddy River watersheds. The severe drought in the southwestern USA during the 1950s might also have played a role in variations in sedimentation rate in all of the cores. ?? 2009.

  13. Nitric oxide and nitrous oxide turnover in natural and engineered microbial communities: biological pathways, chemical reactions, and novel technologies

    Science.gov (United States)

    Schreiber, Frank; Wunderlin, Pascal; Udert, Kai M.; Wells, George F.

    2012-01-01

    Nitrous oxide (N2O) is an environmentally important atmospheric trace gas because it is an effective greenhouse gas and it leads to ozone depletion through photo-chemical nitric oxide (NO) production in the stratosphere. Mitigating its steady increase in atmospheric concentration requires an understanding of the mechanisms that lead to its formation in natural and engineered microbial communities. N2O is formed biologically from the oxidation of hydroxylamine (NH2OH) or the reduction of nitrite (NO−2) to NO and further to N2O. Our review of the biological pathways for N2O production shows that apparently all organisms and pathways known to be involved in the catabolic branch of microbial N-cycle have the potential to catalyze the reduction of NO−2 to NO and the further reduction of NO to N2O, while N2O formation from NH2OH is only performed by ammonia oxidizing bacteria (AOB). In addition to biological pathways, we review important chemical reactions that can lead to NO and N2O formation due to the reactivity of NO−2, NH2OH, and nitroxyl (HNO). Moreover, biological N2O formation is highly dynamic in response to N-imbalance imposed on a system. Thus, understanding NO formation and capturing the dynamics of NO and N2O build-up are key to understand mechanisms of N2O release. Here, we discuss novel technologies that allow experiments on NO and N2O formation at high temporal resolution, namely NO and N2O microelectrodes and the dynamic analysis of the isotopic signature of N2O with quantum cascade laser absorption spectroscopy (QCLAS). In addition, we introduce other techniques that use the isotopic composition of N2O to distinguish production pathways and findings that were made with emerging molecular techniques in complex environments. Finally, we discuss how a combination of the presented tools might help to address important open questions on pathways and controls of nitrogen flow through complex microbial communities that eventually lead to N2O build

  14. Nitric oxide and nitrous oxide turnover in natural and engineered microbial communities: biological pathways, chemical reactions and novel technologies

    Directory of Open Access Journals (Sweden)

    Frank eSchreiber

    2012-10-01

    Full Text Available Nitrous oxide (N2O is an environmentally important atmospheric trace gas because it is an effective greenhouse gas and it leads to ozone depletion through photo-chemical nitric oxide (NO production in the stratosphere. Mitigating its steady increase in atmospheric concentration requires an understanding of the mechanisms that lead to its formation in natural and engineered microbial communities. N2O is formed biologically from the oxidation of hydroxylamine (NH2OH or the reduction of nitrite (NO2- to NO and further to N2O. Our review of the biological pathways for N2O production shows that apparently all organisms and pathways known to be involved in the catabolic branch of microbial N-cycle have the potential to catalyze the reduction of NO2- to NO and the further reduction of NO to N2O, while N2O formation from NH2OH is only performed by ammonia oxidizing bacteria. In addition to biological pathways, we review important chemical reactions that can lead to NO and N2O formation due to the reactivity of NO2-, NH2OH and nitroxyl (HNO. Moreover, biological N2O formation is highly dynamic in response to N-imbalance imposed on a system. Thus, understanding NO formation and capturing the dynamics of NO and N2O build-up are key to understand mechanisms of N2O release. Here, we discuss novel technologies that allow experiments on NO and N2O formation at high temporal resolution, namely NO and N2O microelectrodes and the dynamic analysis of the isotopic signature of N2O with quantum cascade laser based absorption spectroscopy. In addition, we introduce other techniques that use the isotopic composition of N2O to distinguish production pathways and findings that were made with emerging molecular techniques in complex environments. Finally, we discuss how a combination of the presented tools might help to address important open questions on pathways and controls of nitrogen flow through complex microbial communities that eventually lead to N2O build-up.

  15. Distinguishing Natural and Anthropogenic Sources of Chemical Loading on a Watershed-Scale, Mill River Watershed, Massachusetts

    Science.gov (United States)

    Rhodes, A. L.; Newton, R. M.; Pufall, A.

    2001-05-01

    The Mill River Watershed (MRW), a 125 km2 catchment of the Connecticut River, possesses heterogeneous topography, geology, and human settlement patterns suitable for distinguishing natural sources of chemical loading to rivers from anthropogenic sources. The MRW is divided into catchments by drainage patterns of dominant tributaries. Catchments are further classified into land-use zones, defined by intensity of human activity. Water chemistry in Zone I areas, where human activity is minimal to absent, serves as a baseline for assessing human impacts on water quality from within the watershed. Zone II areas are primarily affected by water removal from drinking water reservoirs on two tributaries ( ~9500 m3 per day, combined). Zone III regions receive runoff from agricultural, residential, and transportation areas. Since 1997, water samples collected from 13 sites in MRW have been analyzed for specific conductance, temperature, pH, ANC, base cations (Ca, Mg, Na, K, NH4), anions (Cl, SO4, NO3, PO4), and dissolved silica. GIS software was used to calculate percent area of different land uses that drain to each sample site. For the majority of sample sites in MRW, average concentrations of both NO3 and SO4 show a positive, linear relationship with percent area of anthropogenic land (R2> 0.91). Concentrations of Cl increase linearly with road density (R2= 0.95). However, two Zone III sites receiving additional point-source pollution show higher NO3 and SO4 concentrations than predicted by land use; concentrations reflect 20 and 50% more anthropogenic area than actually exists. Removal of drinking water from the larger reservoir also produces 20 and 30% more NO3 and SO4 than predicted by land use, showing that water removal concentrates pollution. Low-gradient, Zone III sites that receive highway runoff show elevated salt concentrations that persist throughout the year. Salt-impacted regions show a strong correlation between Na and Cl (R2 = 0.86 to 0.95). Cl typically

  16. Short-Term and Long-Term Biological Effects of Chronic Chemical Contamination on Natural Populations of a Marine Bivalve.

    Directory of Open Access Journals (Sweden)

    Marine Breitwieser

    Full Text Available Understanding the effects of chronic chemical contamination on natural populations of marine organisms is complex due to the combined effects of different types of pollutants and environmental parameters that can modulate the physiological responses to stress. Here, we present the effects of a chronic contamination in a marine bivalve by combining multiple approaches that provide information on individual and population health. We sampled variegated scallops (Mimachlamys varia at sites characterized by different contaminants and contamination levels to study the short and long-term (intergenerational responses of this species to physiological stress. We used biomarkers (SOD, MDA, GST, laccase, citrate synthase and phosphatases as indicators of oxidative stress, immune system alteration, mitochondrial respiration and general metabolism, and measured population genetic diversity at each site. In parallel, concentration of 14 trace metals and 45 organic contaminants (PAHs, PCBs, pesticides in tissues were measured. Scallops were collected outside and during their reproductive season to investigate temporal variability in contaminant and biomarker levels. Our analyses revealed that the levels of two biomarkers (Laccase-type phenoloxidase and malondialdehyde were significantly correlated with Cd concentration. Additionally, we observed significant seasonal differences for four of the five biomarkers, which is likely due to the scallop reproductive status at time of sampling. As a source of concern, a location that was identified as a reference site on the basis of inorganic contaminant levels presented the same level of some persistent organic pollutants (DDT and its metabolites than more impacted sites. Finally, potential long-term effects of heavy metal contamination were observed for variegated scallops as genetic diversity was depressed in the most polluted sites.

  17. Topological, chemical and electro-optical characteristics of riboflavin-doped artificial and natural DNA thin films

    Science.gov (United States)

    Gnapareddy, Bramaramba; Dugasani, Sreekantha Reddy; Son, Junyoung; Park, Sung Ha

    2018-02-01

    DNA is considered as a useful building bio-material, and it serves as an efficient template to align functionalized nanomaterials. Riboflavin (RF)-doped synthetic double-crossover DNA (DX-DNA) lattices and natural salmon DNA (SDNA) thin films were constructed using substrate-assisted growth and drop-casting methods, respectively, and their topological, chemical and electro-optical characteristics were evaluated. The critical doping concentrations of RF ([RF]C, approx. 5 mM) at given concentrations of DX-DNA and SDNA were obtained by observing the phase transition (from crystalline to amorphous structures) of DX-DNA and precipitation of SDNA in solution above [RF]C. [RF]C are verified by analysing the atomic force microscopy images for DX-DNA and current, absorbance and photoluminescence (PL) for SDNA. We study the physical characteristics of RF-embedded SDNA thin films, using the Fourier transform infrared spectrum to understand the interaction between the RF and DNA molecules, current to evaluate the conductance, absorption to understand the RF binding to the DNA and PL to analyse the energy transfer between the RF and DNA. The current and UV absorption band of SDNA thin films decrease up to [RF]C followed by an increase above [RF]C. By contrast, the PL intensity illustrates the reverse trend, as compared to the current and UV absorption behaviour as a function of the varying [RF]. Owing to the intense PL characteristic of RF, the DNA lattices and thin films with RF might offer immense potential to develop efficient bio-sensors and useful bio-photonic devices.

  18. The nature of alarm communication in Constrictotermes cyphergaster (Blattodea: Termitoidea: Termitidae: the integration of chemical and vibroacoustic signals

    Directory of Open Access Journals (Sweden)

    Paulo F. Cristaldo

    2015-12-01

    Full Text Available Alarm signalling is of paramount importance to communication in all social insects. In termites, vibroacoustic and chemical alarm signalling are bound to operate synergistically but have never been studied simultaneously in a single species. Here, we inspected the functional significance of both communication channels in Constrictotermes cyphergaster (Termitidae: Nasutitermitinae, confirming the hypothesis that these are not exclusive, but rather complementary processes. In natural situations, the alarm predominantly attracts soldiers, which actively search for the source of a disturbance. Laboratory testing revealed that the frontal gland of soldiers produces a rich mixture of terpenoid compounds including an alarm pheromone. Extensive testing led to identification of the alarm pheromone being composed of abundant monoterpene hydrocarbons (1S-α-pinene and myrcene, along with a minor component, (E-β-ocimene. The vibratory alarm signalling consists of vibratory movements evidenced as bursts; a series of beats produced predominantly by soldiers. Exposing termite groups to various mixtures containing the alarm pheromone (crushed soldier heads, frontal gland extracts, mixture of all monoterpenes, and the alarm pheromone mixture made of standards resulted in significantly higher activity in the tested groups and also increased intensity of the vibratory alarm communication, with the responses clearly dose-dependent. Lower doses of the pheromone provoked higher numbers of vibratory signals compared to higher doses. Higher doses induced long-term running of all termites without stops necessary to perform vibratory behaviour. Surprisingly, even crushed worker heads led to low (but significant increases in the alarm responses, suggesting that other unknown compound in the worker's head is perceived and answered by termites. Our results demonstrate the existence of different alarm levels in termites, with lower levels being communicated through

  19. Short-Term and Long-Term Biological Effects of Chronic Chemical Contamination on Natural Populations of a Marine Bivalve.

    Science.gov (United States)

    Breitwieser, Marine; Viricel, Amélia; Graber, Marianne; Murillo, Laurence; Becquet, Vanessa; Churlaud, Carine; Fruitier-Arnaudin, Ingrid; Huet, Valérie; Lacroix, Camille; Pante, Eric; Le Floch, Stéphane; Thomas-Guyon, Hélène

    2016-01-01

    Understanding the effects of chronic chemical contamination on natural populations of marine organisms is complex due to the combined effects of different types of pollutants and environmental parameters that can modulate the physiological responses to stress. Here, we present the effects of a chronic contamination in a marine bivalve by combining multiple approaches that provide information on individual and population health. We sampled variegated scallops (Mimachlamys varia) at sites characterized by different contaminants and contamination levels to study the short and long-term (intergenerational) responses of this species to physiological stress. We used biomarkers (SOD, MDA, GST, laccase, citrate synthase and phosphatases) as indicators of oxidative stress, immune system alteration, mitochondrial respiration and general metabolism, and measured population genetic diversity at each site. In parallel, concentration of 14 trace metals and 45 organic contaminants (PAHs, PCBs, pesticides) in tissues were measured. Scallops were collected outside and during their reproductive season to investigate temporal variability in contaminant and biomarker levels. Our analyses revealed that the levels of two biomarkers (Laccase-type phenoloxidase and malondialdehyde) were significantly correlated with Cd concentration. Additionally, we observed significant seasonal differences for four of the five biomarkers, which is likely due to the scallop reproductive status at time of sampling. As a source of concern, a location that was identified as a reference site on the basis of inorganic contaminant levels presented the same level of some persistent organic pollutants (DDT and its metabolites) than more impacted sites. Finally, potential long-term effects of heavy metal contamination were observed for variegated scallops as genetic diversity was depressed in the most polluted sites.

  20. Publisher Correction

    DEFF Research Database (Denmark)

    Stokholm, Jakob; Blaser, Martin J.; Thorsen, Jonathan

    2018-01-01

    The originally published version of this Article contained an incorrect version of Figure 3 that was introduced following peer review and inadvertently not corrected during the production process. Both versions contain the same set of abundance data, but the incorrect version has the children...

  1. Publisher Correction

    DEFF Research Database (Denmark)

    Flachsbart, Friederike; Dose, Janina; Gentschew, Liljana

    2018-01-01

    The original version of this Article contained an error in the spelling of the author Robert Häsler, which was incorrectly given as Robert Häesler. This has now been corrected in both the PDF and HTML versions of the Article....

  2. Correction to

    DEFF Research Database (Denmark)

    Roehle, Robert; Wieske, Viktoria; Schuetz, Georg M

    2018-01-01

    The original version of this article, published on 19 March 2018, unfortunately contained a mistake. The following correction has therefore been made in the original: The names of the authors Philipp A. Kaufmann, Ronny Ralf Buechel and Bernhard A. Herzog were presented incorrectly....

  3. ICT: isotope correction toolbox.

    Science.gov (United States)

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

    2016-01-01

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

  4. Corrective Jaw Surgery

    Medline Plus

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

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

    OpenAIRE

    Kudo, Yoshihiro; Kanaya, Shigehiko

    1994-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

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

    1978-02-16

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

  7. Chemical correction of pre-mRNA splicing defects associated with sequestration of muscleblind-like 1 protein by expanded r(CAG) transcripts

    Science.gov (United States)

    Kumar, Amit; Parkesh, Raman; Sznajder, Lukasz J.; Childs-Disney, Jessica; Sobczak, Krzysztof; Disney, Matthew D.

    2012-01-01

    Recently, it was reported that expanded r(CAG) triplet repeats (r(CAG)exp) associated with untreatable neurological diseases cause pre-mRNA mis-splicing likely due to sequestration of muscleblind-like 1 (MBNL1) splicing factor. Bioactive small molecules that bind the 5’CAG/3’GAC motif found in r(CAG)exp hairpin structure were identified by using RNA binding studies and virtual screening/chemical similarity searching. Specifically, a benzylguanidine-containing small molecule was found to improve pre-mRNA alternative splicing of MBNL1-sensitive exons in cells expressing the toxic r(CAG)exp. The compound was identified by first studying the binding of RNA 1×1 nucleotide internal loops to small molecules known to have affinity for nucleic acids. Those studies identified 4',6-diamidino-2-phenylindole (DAPI) as a specific binder to RNAs with the 5’CAG/3’GAC motif. DAPI was then used as a query molecule in a shape- and chemistry alignment-based virtual screen to identify compounds with improved properties, which identified 4-guanidinophenyl 4-guanidinobenzoate as small molecule capable of improving pre-mRNA splicing defects associated with the r(CAG)exp-MBNL1 complex. This compound may facilitate the development of therapeutics to treat diseases caused by r(CAG)exp and could serve as a useful chemical tool to dissect the mechanisms of r(CAG)exp toxicity. The approach used in these studies, defining the small RNA motifs that bind known nucleic acid binders and then using virtual screening to optimize them for bioactivity, may be generally applicable for designing small molecules that target other RNAs in human genomic sequence. PMID:22252896

  8. Implications of global climate change for the assessment and management of human health risks of chemicals in the natural environment.

    Science.gov (United States)

    Balbus, John M; Boxall, Alistair B A; Fenske, Richard A; McKone, Thomas E; Zeise, Lauren

    2013-01-01

    Global climate change (GCC) is likely to alter the degree of human exposure to pollutants and the response of human populations to these exposures, meaning that risks of pollutants could change in the future. The present study, therefore, explores how GCC might affect the different steps in the pathway from a chemical source in the environment through to impacts on human health and evaluates the implications for existing risk-assessment and management practices. In certain parts of the world, GCC is predicted to increase the level of exposure of many environmental pollutants due to direct and indirect effects on the use patterns and transport and fate of chemicals. Changes in human behavior will also affect how humans come into contact with contaminated air, water, and food. Dietary changes, psychosocial stress, and coexposure to stressors such as high temperatures are likely to increase the vulnerability of humans to chemicals. These changes are likely to have significant implications for current practices for chemical assessment. Assumptions used in current exposure-assessment models may no longer apply, and existing monitoring methods may not be robust enough to detect adverse episodic changes in exposures. Organizations responsible for the assessment and management of health risks of chemicals therefore need to be more proactive and consider the implications of GCC for their procedures and processes. Copyright © 2012 SETAC.

  9. Carbon isotopes: variations of their natural abundance. Application to correction of radiocarbon dates, to the study of plant metabolism and to paleoclimate

    International Nuclear Information System (INIS)

    Lerman, J.C.

    1974-01-01

    The radiocarbon activity of contemporaneous samples shows: i) variations in the specific activity of the atmospheric C14, which varies with time and locality. ii) variations due to isotope discrimination, or fractionation, of the carbon isotope ratio during the fixation of carbon by organic or inorganic matter. The variation in the atmospheric concentration of carbon 14 as observed in tree rings are synchronous and of the same amplitude for both hemispheres (southern and northern). A curve for correction of radiocarbon dates of the southern hemisphere is given for the last 500 years. The activity of atmospheric radiocarbon as measured in tree rings varies with latitude, showing a difference of (4.5+-1) per mille between the northern and southern hemispheres, the latter having lower concentration of radiocarbon, equivalent to an age difference of about 35 years. This variation can be explained by a larger exchange of carbon 14 between the atmosphere and the sea in the southern hemisphere to a larger free ocean surface (40%) and a higher agitation by winds. The main differences of the isotope fractionation by different types of plants are correlated to their photosynthetic pathways and thus to the enzyme which effects the primary fixation of carbon. The delta C13 values can be used as basis of a paleoclimate indicator [fr

  10. Electroweak corrections

    International Nuclear Information System (INIS)

    Beenakker, W.J.P.

    1989-01-01

    The prospect of high accuracy measurements investigating the weak interactions, which are expected to take place at the electron-positron storage ring LEP at CERN and the linear collider SCL at SLAC, offers the possibility to study also the weak quantum effects. In order to distinguish if the measured weak quantum effects lie within the margins set by the standard model and those bearing traces of new physics one had to go beyond the lowest order and also include electroweak radiative corrections (EWRC) in theoretical calculations. These higher-order corrections also can offer the possibility of getting information about two particles present in the Glashow-Salam-Weinberg model (GSW), but not discovered up till now, the top quark and the Higgs boson. In ch. 2 the GSW standard model of electroweak interactions is described. In ch. 3 some special techniques are described for determination of integrals which are responsible for numerical instabilities caused by large canceling terms encountered in the calculation of EWRC effects, and methods necessary to get hold of the extensive algebra typical for EWRC. In ch. 4 various aspects related to EWRC effects are discussed, in particular the dependence of the unknown model parameters which are the masses of the top quark and the Higgs boson. The processes which are discussed are production of heavy fermions from electron-positron annihilation and those of the fermionic decay of the Z gauge boson. (H.W.). 106 refs.; 30 figs.; 6 tabs.; schemes

  11. Geological Corrections in Gravimetry

    Science.gov (United States)

    Mikuška, J.; Marušiak, I.

    2015-12-01

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

  12. Using a Total Environment Framework (Built, Natural, Social Environments) to Assess Life-long Health Effects of Chemical Exposures

    Science.gov (United States)

    EPAseeks applications for research on how pollution affects human health in the context of the total environment – built, natural, and social environments interacting together with inherent characteristics and interactions.

  13. Mimicking natural cell environments: design, fabrication and application of bio-chemical gradients on polymeric biomaterial substrates

    NARCIS (Netherlands)

    Benetti, Edmondo Maria; Klein Gunnewiek, Michel; van Blitterswijk, Clemens; Vancso, Gyula J.; Moroni, Lorenzo

    2016-01-01

    Gradients of biomolecules on synthetic, solid substrates can efficiently mimic the natural, graded variation of properties of the extracellular matrix (ECM). Such gradients represent accessible study platforms for the understanding of cellular activities, and they also provide functional supports

  14. COMPARISON OF SORPTION ENERGTICS FOR HYDROPHOBIC ORGANIC CHEMICALS BY SYNTHETIC AND NATURAL SORBENTS FROM METHANOL/WATER SOLVENT MIXTURES

    Science.gov (United States)

    Reversed-phase liquid chromatography (RPLC) was used to investigate the thermodynamics and mechanisms of hydrophobic organic chemical (HOC) retention from methanol/water solvent mixtures. The enthalpy-entropy compensation model was used to infer that the hydro- phobic sorptive me...

  15. Students' Understanding of the Nature of Matter and Chemical Reactions--A Longitudinal Study of Conceptual Restructuring

    Science.gov (United States)

    Øyehaug, Anne Bergliot; Holt, Anne

    2013-01-01

    This longitudinal study aims to provide greater insight into how students' understanding of matter and chemical reactions develops over time and how their knowledge structures are restructured. Four case-study students in a Norwegian primary school were followed for two years from age 10-11 to age 12-13. Researchers were responsible for…

  16. Protein structure similarity clustering (PSSC) and natural product structure as inspiration sources for drug development and chemical genomics

    NARCIS (Netherlands)

    Dekker, Frank J; Koch, Marcus A; Waldmann, Herbert; Dekker, Frans

    Finding small molecules that modulate protein function is of primary importance in drug development and in the emerging field of chemical genomics. To facilitate the identification of such molecules, we developed a novel strategy making use of structural conservatism found in protein domain

  17. Effect of oxidation on the chemical nature and distribution of low-temperature pyrolysis products from bituminous coal

    Energy Technology Data Exchange (ETDEWEB)

    Furimsky, E.; MacPhee, J.A.; Vancea, L.; Ciavaglia, L.A.; Nandi, B.N.

    1983-04-01

    Two bituminous coals, a high volatile Eastern Canadian and a medium volatile Western Canadian, were used to investigate the effect of oxidation on yields and chemical composition of gases, liquids and chars produced during coal pyrolysis. Pyrolysis experiments were performed at 500 C using the Fischer assay method. Mild oxidation of coals resulted in a decrease of liquid hydrocarbon yields. Further coal oxidation increased the proportion of aromatic carbon in liquid products as determined by N.M.R. and also increased the content of oxygen in liquid products. The content of oxygen in chars was markedly lower than in corresponding coals. An attempt is made to explain reactions occurring during oxidation and subsequent pyrolysis of coal on the basis of differences in chemical composition of gases, liquids and chars. (19 refs.)

  18. Effect of oxidation on the chemical nature and distribution of low-temperature pyrolysis products from bituminous coal

    Energy Technology Data Exchange (ETDEWEB)

    Furimsky, E.; Ciavaglia, L.A.; MacPhee, J.A.; Nandi, B.N.; Vancea, L.

    1983-04-01

    Two bituminous coals, a high volatile Eastern Canadian and a medium volatile Western Canadian, were used to investigate the effect of oxidation on yields and chemical composition of gases, liquids and chars produced during coal pyrolysis. Pyrolysis experiments were performed at 500/sup 0/C using the Fischer assay method. Mild oxidation of coals resulted in a decrease of liquid hydrocarbon yields. Further coal oxidation increased the proportion of aromatic carbon in liquid products as determined by n.m.r., and also increased the content of oxygen in liquid products. The content of oxygen in chars was markedly lower than in corresponding coals. An attempt is made to explain reactions occurring during oxidation and subsequent pyrolysis of coal on the basis of differences in chemical composition of gases, liquids and chars.

  19. Surface chemical characteristics of coal fly ash particles after interaction with seawater under natural deep sea conditions

    International Nuclear Information System (INIS)

    Brami, Y.; Shemesh, A.; Cohen, H.; Herut, B.

    1999-01-01

    The surface chemical characteristics of coal fly ash (CFA) before and after interaction with Mediterranean deep seawater was studied by X-ray photoelectron spectroscopy (XPS). Significantly lower values of Si, Ca, and S and higher values of Mg and Cl were found in the retrieved CFA as compared to fresh CFA. It is suggested that hydrolysis of the oxide matrixes results in an alkaline environment which rapidly leads to several chemical reactions. The two most important are (a) dissolution of the amorphous silicate and the calcium phases and (b) precipitation of Mg(OH) 2 -brucite. A depth profile of the retrieved CFA was measured by both line-shape analysis of the XPS spectra and by consecutive cycle of sputtering. The thickness of the brucite layer is estimated to be 1.3 nm

  20. Health and Natural Resources: The Extraction of Useful Chemicals from Plants and their Impact on Socio-Economic Development

    International Nuclear Information System (INIS)

    Munavu, R.M.

    2006-01-01

    Poverty reduction strategies in developing countries are based on the need to develop and improve the quality of life of people. The successful strategies link wealth creating activities of adding value to local resources with employment creation. These strategies lead to increased capacity to produce needed consumer goods such as food, fuel, construction materials, textiles and pharmaceuticals starting from local resources. Most value-adding transformations of materials to consumer goods use chemicals conversion processes

  1. Chemically exfoliated Mo S2 layers: Spectroscopic evidence for the semiconducting nature of the dominant trigonal metastable phase

    Science.gov (United States)

    Pal, Banabir; Singh, Anjali; Sharada, G.; Mahale, Pratibha; Kumar, Abhinav; Thirupathaiah, S.; Sezen, H.; Amati, M.; Gregoratti, Luca; Waghmare, Umesh V.; Sarma, D. D.

    2017-11-01

    A metastable trigonal phase, existing only as small patches on a chemically exfoliated few-layered, thermodynamically stable 1 H phase of Mo S2 , is believed to critically influence the properties of Mo S2 -based devices. The electronic structure of this metastable phase is little understood in the absence of a direct experimental investigation of its electronic properties, complicated further by conflicting claims from theoretical investigations. We address this issue by investigating the electronic structure of this minority phase in chemically exfoliated Mo S2 few-layered systems by enhancing its contributions with the use of highly spatially resolved (≤120 nm resolution) photoemission spectroscopy and Raman spectroscopy in conjunction with state-of-the-art electronic structure calculations. Based on these results, we establish that the ground state of this phase, arrived at by the chemical exfoliation of Mo S2 using the usual Li intercalation technique, is a small gap (˜90 ±40 meV ) semiconductor in contrast to most claims in the literature; we also identify the specific trigonal structure it has among many suggested ones.

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

    Directory of Open Access Journals (Sweden)

    Humberto J. Domínguez

    2014-01-01

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

  3. Heteronuclear three-dimensional NMR spectroscopy. Natural abundance 13C chemical shift editing of 1H-1H COSY spectra

    International Nuclear Information System (INIS)

    Fesik, S.W.; Gampe, R.T. Jr.; Zuiderweg, E.R.P.

    1989-01-01

    It has been demonstrated that heteronuclear 3D NMR spectroscopy can be effectively applied to small molecules with 13 C at natural abundance. A 78mM solution of the aminoglycoside, kanamycin A was used for this experiment. The heteronuclear 3D NMR spectroscopy is shown to be a useful method for resolving spectral overlap in all frequency domains. 10 refs., 2 figs

  4. Studies on the chemical resistance and mechanical properties of natural polyalthia cerasoides woven fabric/glass hybridized epoxy composites

    CSIR Research Space (South Africa)

    Jayaramudu, J

    2015-01-01

    Full Text Available In the present work, natural Polyalthiacerasoide woven fabrics were extracted from the bark of the tree and using these woven fabrics/glass fibre as reinforcements and epoxy as matrix the hybrid composites were prepared by the hand lay-up technique...

  5. Leaching of biomass from semi-natural grasslands – Effects on chemical composition and ash high-temperature behaviour

    International Nuclear Information System (INIS)

    Tonn, Bettina; Thumm, Ulrich; Lewandowski, Iris; Claupein, Wilhelm

    2012-01-01

    Combustion of biodiversity-rich semi-natural grassland biomass no longer needed for forage allows nature conservation to be combined with bioenergy production. Natural leaching by rainfall during the period between biomass harvest and collection can reduce the content of elements detrimental for the combustion of grassland biomass. This study assesses the influence of biomass characteristics on leaching efficiency and the potential effects of leaching on ash melting behaviour and elemental release. Grassland biomass harvested from five sites at two harvest dates was leached at two intensities. Low-temperature ash was heated to 700, 800, 900 and 1000 °C respectively and classified into four ash fusion classes. Ash mass loss was determined as a measure of high-temperature elemental release. Weather data were used to calculate the frequency of weather conditions favourable to on-field leaching. K and Cl were leached most strongly and were reduced by 30 and 45% respectively by a leaching treatment corresponding to 30–40 mm of rain. The effects of site and harvest date on leaching efficiency were significant but small. Ash melting behaviour and elemental release between 700 and 900 °C were favourably influenced by leaching. The K/(Ca + Mg) and Si/ash ratios were related to increased ash melting. In this respect, semi-natural grassland biomass differs from other, less Ca-rich, herbaceous biofuels. Even if suitable weather conditions are not occurring frequently at the study sites, on-field leaching can offer an additional low-cost, on-farm strategy option for farmers and nature conservation agencies to improve biomass quality of nature conservation grasslands for combustion. -- Graphical abstract: Highlights: ► Combustion of biomass from biodiversity-rich nature conservation grassland. ► Leaching by rain during the field period reduces K and Cl concentrations. ► Increasing K/(Ca + Mg) and decreasing (K + Ca + Mg)/ash ratios increase ash melting. ► Leaching

  6. Expanding the chemical diversity of natural esters by engineering a polyketide-derived pathway into Escherichia coli.

    Science.gov (United States)

    Menendez-Bravo, Simón; Comba, Santiago; Sabatini, Martín; Arabolaza, Ana; Gramajo, Hugo

    2014-07-01

    Microbial fatty acid (FA)-derived molecules have emerged as promising alternatives to petroleum-based chemicals for reducing dependence on fossil hydrocarbons. However, native FA biosynthetic pathways often yield limited structural diversity, and therefore restricted physicochemical properties, of the end products by providing only a limited variety of usually linear hydrocarbons. Here we have engineered into Escherichia coli a mycocerosic polyketide synthase-based biosynthetic pathway from Mycobacterium tuberculosis and redefined its biological role towards the production of multi-methyl-branched-esters (MBEs) with novel chemical structures. Expression of FadD28, Mas and PapA5 enzymes enabled the biosynthesis of multi-methyl-branched-FA and their further esterification to an alcohol. The high substrate tolerance of these enzymes towards different FA and alcohol moieties resulted in the biosynthesis of a broad range of MBE. Further metabolic engineering of the MBE producer strain coupled this system to long-chain-alcohol biosynthetic pathways resulting in de novo production of branched wax esters following addition of only propionate. Copyright © 2014 International Metabolic Engineering Society. Published by Elsevier Inc. All rights reserved.

  7. Chemical constituents of fine particulate air pollution and pulmonary function in healthy adults: The Healthy Volunteer Natural Relocation study

    Energy Technology Data Exchange (ETDEWEB)

    Wu, Shaowei; Deng, Furong; Hao, Yu [Department of Occupational and Environmental Health Sciences, Peking University School of Public Health, Beijing (China); Shima, Masayuki [Department of Public Health, Hyogo College of Medicine, Hyogo (Japan); Wang, Xin; Zheng, Chanjuan; Wei, Hongying; Lv, Haibo; Lu, Xiuling; Huang, Jing; Qin, Yu [Department of Occupational and Environmental Health Sciences, Peking University School of Public Health, Beijing (China); Guo, Xinbiao, E-mail: guoxb@bjmu.edu.cn [Department of Occupational and Environmental Health Sciences, Peking University School of Public Health, Beijing (China)

    2013-09-15

    Highlights: • Study subjects relocated between areas with different air pollution contents. • PM{sub 2.5} showed the most consistent inverse associations with pulmonary function. • Cu, Cd, As and Sn were consistently associated with reduced pulmonary function. • Carbonaceous fractions, SO{sub 4}{sup 2−} and Sb were also associated with pulmonary function. • Sources may include traffic, industry, coal burning, and long range transported dust. -- Abstract: The study examined the associations of 32 chemical constituents of particulate matter with an aerodynamic diameter ≤2.5 μm (PM{sub 2.5}) with pulmonary function in a panel of 21 college students. Study subjects relocated from a suburban area to an urban area with changing ambient air pollution levels and contents in Beijing, China, and provided daily morning/evening peak expiratory flow (PEF) and forced expiratory volume in 1 s (FEV{sub 1}) measurements over 6 months in three study periods. There were significant reductions in evening PEF and morning/evening FEV{sub 1} associated with various air pollutants and PM{sub 2.5} constituents. Four PM{sub 2.5} constituents (copper, cadmium, arsenic and stannum) were found to be most consistently associated with the reductions in these pulmonary function measures. These findings provide clues for the respiratory effects of specific particulate chemical constituents in the context of urban air pollution.

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

    Science.gov (United States)

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

    2016-01-28

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

  9. Natural weathering in dry disposed ash dump: Insight from chemical, mineralogical and geochemical analysis of fresh and unsaturated drilled cores.

    Science.gov (United States)

    Akinyemi, S A; Akinlua, A; Gitari, W M; Khuse, N; Eze, P; Akinyeye, R O; Petrik, L F

    2012-07-15

    Some existing alternative applications of coal fly ash such as cement manufacturing; road construction; landfill; and concrete and waste stabilisation use fresh ash directly collected from coal-fired power generating stations. Thus, if the rate of usage continues, the demand for fresh ash for various applications will exceed supply and use of weathered dry disposed ash will become necessary alternative. As a result it's imperative to understand the chemistry and pH behaviour of some metals inherent in dry disposed fly ash. The bulk chemical composition as determined by XRF analysis showed that SiO2, Al2O3 and Fe2O3 were the major oxides in fresh ash and unsaturated weathered ashes. The unsaturated weathered ashes are relatively depleted in CaO, Fe2O3, TiO2, SiO2, Na2O and P2O5 due to dissolution and hydrolysis caused by chemical interaction with ingressing CO2 from the atmosphere and infiltrating rain water. Observed accumulations of Fe2O3, TiO2, CaO, K2O, Na2O and SO3 and Zn, Zr, Sr, Pb, Ni, Cr and Co in the lower layers indicate progressive downward movement through the ash dump though at a slow rate. The bulk mineralogy of unsaturated weathered dry disposed ash, as determined by XRD analysis, revealed quartz and mullite as the major crystalline phases; while anorthite, hematite, enstatite, lime, calcite, and mica were present as minor mineral phases. Pore water chemistry revealed a low concentration of readily soluble metals in unsaturated weathered ashes in comparison with fresh ash, which shows high leachability. This suggests that over time the precipitation of transient minor secondary mineral phases; such as calcite and mica might retard residual metal release from unsaturated weathered ash. Chloride and sulphate species of the water soluble extracts of weathered ash are at equilibrium with Na+ and K+; these demonstrate progressive leaching over time and become supersaturated at the base of unsaturated weathered ash. This suggests that the ash dump does not

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

    International Nuclear Information System (INIS)

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

    2008-01-01

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

  11. Operation of the NETL Chemical Looping Reactor with Natural Gas and a Novel Copper-Iron Material

    Energy Technology Data Exchange (ETDEWEB)

    Bayham, Sanuel [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Straub, Doug [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Weber, Justin [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

    2017-02-01

    As part of the U.S. Department of Energy’s Advanced Combustion Program, the National Energy Technology Laboratory’s Research and Innovation Center (NETL R&IC) is investigating the feasibility of a novel combustion concept in which the GHG emissions can be significantly reduced. This concept involves burning fuel and air without mixing these two reactants. If this concept is technically feasible, then CO2 emissions can be significantly reduced at a much lower cost than more conventional approaches. This indirect combustion concept has been called Chemical Looping Combustion (CLC) because an intermediate material (i.e., a metaloxide) is continuously cycled to oxidize the fuel. This CLC concept is the focus of this research and will be described in more detail in the following sections.

  12. 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

  13. Understanding the physical and chemical nature of the warfarin drug binding site in human serum albumin: experimental and theoretical studies.

    Science.gov (United States)

    Abou-Zied, Osama K

    2015-01-01

    Human serum albumin (HSA) is one of the major carrier proteins in the body and constitutes approximately half of the protein found in blood plasma. It plays an important role in lipid metabolism, and its ability to reversibly bind a large variety of pharmaceutical compounds makes it a crucial determinant of drug pharmacokinetics and pharmacodynamics. This review deals with one of the protein's major binding sites "Sudlow I" which includes a binding pocket for the drug warfarin (WAR). The binding nature of this important site can be characterized by measuring the spectroscopic changes when a ligand is bound. Using several drugs, including WAR, and other drug-like molecules as ligands, the results emphasize the nature of Sudlow I as a flexible binding site, capable of binding a variety of ligands by adapting its binding pockets. The high affinity of the WAR pocket for binding versatile molecular structures stems from the flexibility of the amino acids forming the pocket. The binding site is shown to have an ionization ability which is important to consider when using drugs that are known to bind in Sudlow I. Several studies point to the important role of water molecules trapped inside the binding site in molecular recognition and ligand binding. Water inside the protein's cavity is crucial in maintaining the balance between the hydrophobic and hydrophilic nature of the binding site. Upon the unfolding and refolding of HSA, more water molecules are trapped inside the binding site which cause some swelling that prevents a full recovery from the denatured state. Better understanding of the mechanism of binding in macromolecules such as HSA and other proteins can be achieved by combining experimental and theoretical studies which produce significant synergies in studying complex biochemical phenomena.

  14. The effects of dissolved natural organic matter on the adsorption of synthetic organic chemicals by activated carbons and carbon nanotubes.

    Science.gov (United States)

    Zhang, Shujuan; Shao, Ting; Karanfil, Tanju

    2011-01-01

    Understanding the influence of natural organic matter (NOM) on synthetic organic contaminant (SOC) adsorption by carbon nanotubes (CNTs) is important for assessing the environmental implications of accidental CNT release and spill to natural waters, and their potential use as adsorbents in engineered systems. In this study, adsorption of two SOCs by three single-walled carbon nanotubes (SWNTs), one multi-walled carbon nanotube (MWNT), a microporous activated carbon fiber (ACF) [i.e., ACF10] and a bimodal porous granular activated carbon (GAC) [i.e., HD4000] was compared in the presence and absence of NOM. The NOM effect was found to depend strongly on the pore size distribution of carbons. Minimal NOM effect occurred on the macroporous MWNT, whereas severe NOM effects were observed on the microporous HD4000 and ACF10. Although the single-solute adsorption capacities of the SWNTs were much lower than those of HD4000, in the presence of NOM the SWNTs exhibited adsorption capacities similar to those of HD4000. Therefore, if released into natural waters, SWNTs can behave like an activated carbon, and will be able to adsorb, carry, and transfer SOCs to other systems. However, from an engineering application perspective, CNTs did not exhibit a major advantage, in terms of adsorption capacities, over the GAC and ACF. The NOM effect was also found to depend on molecular properties of SOCs. NOM competition was more severe on the adsorption of 2-phenylphenol, a nonplanar and hydrophilic SOC, than phenanthrene, a planar and hydrophobic SOC, tested in this study. In terms of surface chemistry, both adsorption affinity to SOCs and NOM effect on SOC adsorption were enhanced with increasing hydrophobicity of the SWNTs. Copyright © 2010 Elsevier Ltd. All rights reserved.

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

    Science.gov (United States)

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

    2015-07-24

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

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

    Science.gov (United States)

    Kauffman, George B.

    1998-12-01

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

  17. Evolution of Chemical Diversity in a Group of Non-Reduced Polyketide Gene Clusters: Using Phylogenetics to Inform the Search for Novel Fungal Natural Products

    Directory of Open Access Journals (Sweden)

    Kurt Throckmorton

    2015-09-01

    Full Text Available Fungal polyketides are a diverse class of natural products, or secondary metabolites (SMs, with a wide range of bioactivities often associated with toxicity. Here, we focus on a group of non-reducing polyketide synthases (NR-PKSs in the fungal phylum Ascomycota that lack a thioesterase domain for product release, group V. Although widespread in ascomycete taxa, this group of NR-PKSs is notably absent in the mycotoxigenic genus Fusarium and, surprisingly, found in genera not known for their secondary metabolite production (e.g., the mycorrhizal genus Oidiodendron, the powdery mildew genus Blumeria, and the causative agent of white-nose syndrome in bats, Pseudogymnoascus destructans. This group of NR-PKSs, in association with the other enzymes encoded by their gene clusters, produces a variety of different chemical classes including naphthacenediones, anthraquinones, benzophenones, grisandienes, and diphenyl ethers. We discuss the modification of and transitions between these chemical classes, the requisite enzymes, and the evolution of the SM gene clusters that encode them. Integrating this information, we predict the likely products of related but uncharacterized SM clusters, and we speculate upon the utility of these classes of SMs as virulence factors or chemical defenses to various plant, animal, and insect pathogens, as well as mutualistic fungi.

  18. Operation of the NETL Chemical Looping Reactor with Natural Gas and a Novel Copper-Iron Material

    Energy Technology Data Exchange (ETDEWEB)

    Straub, Douglas [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Bayham, Samuel [National Energy Technology Lab. (NETL), Morgantown, WV (United States); Weber, Justin [National Energy Technology Lab. (NETL), Morgantown, WV (United States)

    2017-02-21

    The proposed Clean Power Plan requires CO2 emission reductions of 30% by 2030 and further reductions are targeted by 2050. The current strategies to achieve the 30% reduction targets do not include options for coal. However, the 2016 Annual Energy Outlook suggests that coal will continue to provide more electricity than renewable sources for many regions of the country in 2035. Therefore, cost effective options to reduce greenhouse gas emissions from fossil fuel power plants are vital in order to achieve greenhouse gas reduction targets beyond 2030. As part of the U.S. Department of Energy’s Advanced Combustion Program, the National Energy Technology Laboratory’s Research and Innovation Center (NETL R&IC) is investigating the feasibility of a novel combustion concept in which the GHG emissions can be significantly reduced. This concept involves burning fuel and air without mixing these two reactants. If this concept is technically feasible, then CO2 emissions can be significantly reduced at a much lower cost than more conventional approaches. This indirect combustion concept has been called Chemical Looping Combustion (CLC) because an intermediate material (i.e., a metal-oxide) is continuously cycled to oxidize the fuel. This CLC concept is the focus of this research and will be described in more detail in the following sections. The solid material that is used to transport oxygen is called an oxygen carrier material. The cost, durability, and performance of this material is a key issue for the CLC technology. Researchers at the NETL R&IC have developed an oxygen carrier material that consists of copper, iron, and alumina. This material has been tested extensively using lab scale instruments such as thermogravimetric analysis (TGA), scanning electron microscopy (SEM), mechanical attrition (ASTM D5757), and small fluidized bed reactor tests. This report will describe the results from a realistic, circulating, proof-of-concept test that was

  19. Tritium analysis in natural waters: experimental characteristics of the electrolitic enrichment system of the Chemical Department - Sao Carlos Federal University

    International Nuclear Information System (INIS)

    Mozeto, A.A.; Fontanetti, A.R.

    1986-01-01

    The working conditions of a system for low-level tritium analyses in natural waters were determined using eletrolytic enrichment and liquid scintillation counting techniques. The system installed at the Departamento de Quimica - UFScar is characterized by the following experimental parameters: (a) sample volume reduction factor during eletrolysis = 16.7; (b) tritium recovery factor = 80%; (c) tritium enrichment factor = 13.4; (d) counting efficiency = 12.5%; (e) background level = 11.5 cpm; (f) counting time per sample = 500 minutes; (g) sensitivity = 8.3 TU/cpm; (h) lower detection limit = 3.6 TU + - 50% and (i) analytical capacity = 30 samples/month. It is also discussed the suitability of the analytical system in terms of rain and ground water samples as well. (Author) [pt

  20. Smooth perfluorinated surfaces with different chemical and physical natures: their unusual dynamic dewetting behavior toward polar and nonpolar liquids.

    Science.gov (United States)

    Cheng, Dalton F; Masheder, Benjamin; Urata, Chihiro; Hozumi, Atsushi

    2013-09-10

    The effects of surface chemistry and the mobility of surface-tethered functional groups of various perfluorinated surfaces on their dewetting behavior toward polar (water) and nonpolar (n-hexadecane, n-dodecane, and n-decane) liquids were investigated. In this study, three types of common smooth perfluorinated surfaces, that is, a perfluoroalkylsilane (heptadecafluoro-1,1,2,2-tetrahydrooctyl-dimethylchlorosilane, FAS17) monomeric layer, an amorphous fluoropolymer film (Teflon AF 1600), and a perfluorinated polyether (PFPE)-terminated polymer brush film (Optool DSX), were prepared and their static/dynamic dewetting characteristics were compared. Although the apparent static contact angles (CAs) of these surfaces with all probe liquids were almost identical to each other, the ease of movement of liquid drops critically depended on the physical (solidlike or liquidlike) natures of the substrate surface. CA hysteresis and substrate tilt angles (TAs) of all probe liquids on the Optool DSX surface were found to be much lower than those of Teflon AF1600 and FAS17 surfaces due to its physical polymer chain mobility at room temperature and the resulting liquidlike nature. Only 6.0° of substrate incline was required to initiate movement for a small drop (5 μL) of n-decane, which was comparable to the reported substrate TA value (5.3°) for a superoleophobic surface (θ(S) > 160°, textured perfluorinated surface). Such unusual dynamic dewetting behavior of the Optool DSX surface was also markedly enhanced due to the significant increase in the chain mobility of PFPE by moderate heating (70 °C) of the surface, with substrate TA reducing to 3.0°. CA hysteresis and substrate TAs rather than static CAs were therefore determined to be of greater consequence for the estimation of the actual dynamic dewetting behavior of alkane probe liquids on these smooth perfluorinated surfaces. Their dynamic dewettability toward alkane liquids is in the order of Optool DSX > Teflon AF1600

  1. Effect of the nature the carbon precursor on the physico-chemical characteristics of the resulting activated carbon materials

    International Nuclear Information System (INIS)

    Jimenez, Vicente; Sanchez, Paula; Valverde, Jose Luis; Romero, Amaya

    2010-01-01

    Carbon materials, including amorphous carbon, graphite, carbon nanospheres (CNSs) and different types of carbon nanofibers (CNFs) [platelet, herringbone and ribbon], were chemically activated using KOH. The pore structure of carbon materials was analyzed using N 2 /77 K adsorption isotherms. The presence of oxygen groups was analyzed by temperature programmed desorption in He and acid-base titration. The structural order of the materials was studied by X-ray diffraction and temperature programmed oxidation. The morphology and diameter distribution of CNFs and CNSs were characterized by transmission electron microscopy. The materials were also characterized by temperature-desorption programmed of H 2 and elemental composition. The ways in which the different structures were activated are described, showing the type of pores generated. Relationships between carbon yield, removed carbon, activation degree and graphitic character were also examined. The oxygen content in the form of oxygen-containing surface groups increased after the activation giving qualitative information about them. The average diameter of both CNFs and CNSs was decreased after the activation process as consequence of the changes produced on the material surface.

  2. Effect of the nature the carbon precursor on the physico-chemical characteristics of the resulting activated carbon materials

    Energy Technology Data Exchange (ETDEWEB)

    Jimenez, Vicente, E-mail: vicente.jimenez@uclm.es [Facultad de Ciencias Quimicas, Departamento de Ingenieria Quimica, Universidad de Castilla-La Mancha, 13071 Ciudad Real (Spain); Sanchez, Paula; Valverde, Jose Luis [Facultad de Ciencias Quimicas, Departamento de Ingenieria Quimica, Universidad de Castilla-La Mancha, 13071 Ciudad Real (Spain); Romero, Amaya [Escuela Tecnica Agricola, Departamento de Ingenieria Quimica, Universidad de Castilla-La Mancha, 13071 Ciudad Real (Spain)

    2010-11-01

    Carbon materials, including amorphous carbon, graphite, carbon nanospheres (CNSs) and different types of carbon nanofibers (CNFs) [platelet, herringbone and ribbon], were chemically activated using KOH. The pore structure of carbon materials was analyzed using N{sub 2}/77 K adsorption isotherms. The presence of oxygen groups was analyzed by temperature programmed desorption in He and acid-base titration. The structural order of the materials was studied by X-ray diffraction and temperature programmed oxidation. The morphology and diameter distribution of CNFs and CNSs were characterized by transmission electron microscopy. The materials were also characterized by temperature-desorption programmed of H{sub 2} and elemental composition. The ways in which the different structures were activated are described, showing the type of pores generated. Relationships between carbon yield, removed carbon, activation degree and graphitic character were also examined. The oxygen content in the form of oxygen-containing surface groups increased after the activation giving qualitative information about them. The average diameter of both CNFs and CNSs was decreased after the activation process as consequence of the changes produced on the material surface.

  3. Chemical variability of water and sediment over time and along a mountain river subjected to natural and human impact

    Directory of Open Access Journals (Sweden)

    Szarek-Gwiazda Ewa

    2018-01-01

    Full Text Available We studied the variability of physico-chemical parameters in water, and heavy metal contents in water and sediment over time and along the Carpathian Biała Tarnowska River (southern Poland and related them to catchment geology, human impact and the effect of barriers as a side aspect. The river water was well oxygenated, had pH 7.7–9.5 and was characterised by low and average flow. Temperature, pH and dissolved oxygen did not change significantly, while the contents of major ions, NO3−, NH4+, Mn and Fe increased gradually along the river. The major ion contents were negatively, and nitrate, Mn, and Fe positively, correlated with the flow. We recognise correlations between nitrate, Fe and Mn to be good indicators of soil erosion processes in the catchment. River sediment was unpolluted by most of the studied metals (slightly polluted by Ni and Cd. The differences in the values of some parameters (pH and NH4+, PO43−, HCO3−, Mn, Cd and Pb concentrations in the water, and heavy metals in the sediment upstream and downstream of some of the barriers were determined. Spatiotemporal changes in the values of studied parameters and the results of statistical calculation indicate the impact of human activity in the catchment basin (land use, wastewater on the water chemistry.

  4. Chemical and isotopic characteristics of the coso east flankhydrothermal fluids: implications for the location and nature of the heatsource

    Energy Technology Data Exchange (ETDEWEB)

    Christenson, B.W.; Kennedy, B.M.; Adams, M.C.; Bjornstad, S.C.; Buck, C.

    2007-01-08

    Fluids have been sampled from 9 wells and 2 fumaroles fromthe East Flank of the Coso hydrothermal system with a view toidentifying, if possible, the location and characteristics of the heatsource inflows into this portion of the geothermal field. Preliminaryresults show that there has been extensive vapor loss in the system, mostprobably in response to production. Wells 38A-9, 51-16 and 83A-16 showthe highest CO2-CO-CH4-H2 chemical equilibration temperatures, rangingbetween 300-340oC, and apart from 38A-9, the values are generally inaccordance with the measured temperatures in the wells. Calculatedtemperatures for the fractionation of 13C between CO2 and CH4 are inexcess of 400oC in fluids from wells 38A-9, 64-16-RD2 and 51A-16,obviously pointing to equilibrium conditions from deeper portions of thereservoir. Given that the predominant reservoir rock lithologies in theCoso system are relatively silicic (granitic to dioritic), the isotopicsignatures appear to reflect convective circulation and equilibrationwithin rocks close to the plastic-brittle transition. 3He/4He signatures,in conjunction with relative volatile abundances in the Coso fluids,point to a possibly altered mantle source for the heat sourcefluids.

  5. Changes in soil physical and chemical properties in long term improved natural and traditional agroforestry management systems of cacao genotypes in Peruvian Amazon.

    Science.gov (United States)

    Arévalo-Gardini, Enrique; Canto, Manuel; Alegre, Julio; Loli, Oscar; Julca, Alberto; Baligar, Virupax

    2015-01-01

    Growing cacao (Theobroma cacao L.) in an agroforestry system generates a productive use of the land, preserves the best conditions for physical, chemical and biological properties of tropical soils, and plays an important role in improving cacao production and fertility of degraded tropical soils. The aim of this study was to evaluate the impact of two long term agroforestry systems of cacao management on soil physical and chemical properties in an area originally inhabited by 30 years old native secondary forest (SF). The two agroforestry systems adapted were: improved natural agroforestry system (INAS) where trees without economic value were selectively removed to provide 50% shade and improved traditional agroforestry system (ITAS) where all native trees were cut and burnt in the location. For evaluation of the changes of soil physical and chemical properties with time due to the imposed cacao management systems, plots of 10 cacao genotypes (ICS95, UF613, CCN51, ICT1112, ICT1026, ICT2162, ICT2171, ICT2142, H35, U30) and one plot with a spontaneous hybrid were selected. Soil samples were taken at 0-20, 20-40 and 40-60 cm depths before the installation of the management systems (2004), and then followed at two years intervals. Bulk density, porosity, field capacity and wilting point varied significantly during the years of assessment in the different soil depths and under the systems assessed. Soil pH, CEC, exchangeable Mg and sum of the bases were higher in the INAS than the ITAS. In both systems, SOM, Ext. P, K and Fe, exch. K, Mg and Al+H decreased with years of cultivation; these changes were more evident in the 0-20 cm soil depth. Overall improvement of SOM and soil nutrient status was much higher in the ITAS than INAS. The levels of physical and chemical properties of soil under cacao genotypes showed a marked difference in both systems.

  6. Study of chemical composition of sludges and scales from the oil production activities and correlation with natural radioactivity - case study: Campos Basin, Brazil

    International Nuclear Information System (INIS)

    Cruz, Rosana Petinatti da

    2002-01-01

    This work intended to study general aspects related to natural radioactivity, focusing on its occurrence in the oil industry and on sludge and scales samples taken from the Oil E and P region from Campos's Basin. The physical and chemical analysis and the statistical treatment were carried out with the objective of determine the samples composition checking the differences between the sludges and the scales. Third six representative samples were obtained from the Radioprotection and Dosimetry Institute (IRD/CNEN), Brazil, taking into account factors such as activity concentration, physical and chemical aspects and origin. After the oil extraction, samples were classified by aspects as color and granulometry. Ali the studied samples were analyzed by X-rays diffraction being identified the presence of barite, calcite, quartz among others. The results supplied a base for the elaboration of a successive determination scheme which comprehended residual organic material, carbonate, sulfate, silica, chloride and metals as the alkaline, earthy alkaline, aluminum, etc. The sludges presented a highly variable chemical composition, being rich in silica and carbonates. The main components analysis showed a statistical valid relationship among the radium isotopes and the carbonates presence. On the other hand, the scales are made of barium and strontium sulfates (75%), presenting a minor variation on its chemical composition and in the existing radium content. Due to this low variability of the barium, sulfate and radium contents, it has not been possible to consider valid a relationship that could exist among them in the application of the main component analysis. (author)

  7. Light history modulates antioxidant and photosynthetic responses of biofilms to both natural (light) and chemical (herbicides) stressors.

    Science.gov (United States)

    Bonnineau, Chloé; Sague, Irene Gallardo; Urrea, Gemma; Guasch, Helena

    2012-05-01

    In multiple stress situations, the co-occurrence of environmental and chemical factors can influence organisms' ability to cope with toxicity. In this context, the influence of light adaptation on the response of freshwater biofilms to sudden light changes or to herbicides exposure was investigated by determining various parameters: diatom community composition, photosynthetic parameters, chlorophyll a content, antioxidant enzyme activities. Biofilms were grown in microcosms under sub-optimal, saturating, and high light intensities and showed already described characteristics of shade/light adaptation (community structure, photosynthetic adaptation, etc.). Light history modulated antioxidant and photosynthetic responses of biofilms to the stress caused by short-term exposure to sudden light changes or to herbicides. First biofilms adapted to sub-optimal light intensity (shade-adapted) were found to be more sensitive to an increase in light intensity than high-light adapted ones to a reduction in light intensity. Second, while light history influenced biofilms' response to glyphosate, it had little influence on biofilms' response to copper and none on its response to oxyfluorfen. Indeed glyphosate exposure led to a stronger decrease in photosynthetic efficiency of shade-adapted biofilms (EC(50) = 11.7 mg L(-1)) than of high-light adapted communities (EC(50) = 35.6 mg L(-1)). Copper exposure led to an activation of ascorbate peroxidase (APX) in biofilms adapted to sub-optimal and saturating light intensity while the protein content decreased in all biofilms exposed to copper. Oxyfluorfen toxicity was independent of light history provoking an increase in APX activity. In conclusion this study showed that both previous exposure to contaminants and physical habitat characteristics might influence community tolerance to disturbances strongly.

  8. Potential impacts on groundwater resources of deep CO2 storage: natural analogues for assessing potential chemical effects

    Science.gov (United States)

    Lions, J.; Gale, I.; May, F.; Nygaard, E.; Ruetters, H.; Beaubien, S.; Sohrabi, M.; Hatzignatiou, D. G.; CO2GeoNet Members involved in the present study Team

    2011-12-01

    Carbon dioxide Capture and Storage (CCS) is considered as one of the promising options for reducing atmospheric emissions of CO2 related to human activities. One of the main concerns associated with the geological storage of CO2 is that the CO2 may leak from the intended storage formation, migrate to the near-surface environment and, eventually, escape from the ground. This is a concern because such leakage may affect aquifers overlying the storage site and containing freshwater that may be used for drinking, industry and agriculture. The IEA Greenhouse Gas R&D Programme (IEAGHG) recently commissioned the CO2GeoNet Association to undertake a review of published and unpublished literature on this topic with the aim of summarizing 'state of the art' knowledge and identifying knowledge gaps and research priorities in this field. Work carried out by various CO2GeoNet members was also used in this study. This study identifies possible areas of conflict by combining available datasets to map the global and regional superposition of deep saline formations (DSF) suitable for CO2 storage and overlying fresh groundwater resources. A scenario classification is developed for the various geological settings where conflict could occur. The study proposes two approaches to address the potential impact mechanisms of CO2 storage projects on the hydrodynamics and chemistry of shallow groundwater. The first classifies and synthesizes changes of water quality observed in natural/industrial analogues and in laboratory experiments. The second reviews hydrodynamic and geochemical models, including coupled multiphase flow and reactive transport. Various models are discussed in terms of their advantages and limitations, with conclusions on possible impacts on groundwater resources. Possible mitigation options to stop or control CO2 leakage are assessed. The effect of CO2 pressure in the host DSF and the potential effects on shallow aquifers are also examined. The study provides a review of

  9. Physico-chemical forms of natural radionuclides in drilled well waters and their removal by ion exchange

    International Nuclear Information System (INIS)

    Vaaramaa, K.

    2003-01-01

    Appreciable concentrations of natural uranium and its daughter radionuclides may occur in drinking water obtained from drilled wells when the bedrock contains these nuclides. Effective methods are needed to remove these radionuclides. A wide range of ion exchange materials, both organic and inorganic, were evaluated for the removal of 234,238 U, 226 Ra, 210 Po and 210 Pb from ground waters. Screenin tests were carried out, in which distribution coefficients (KD) were determined for the ion exchangers. The ion exchangers that gave the highest KD's were tested in column-mode experiments for the removal of the radionuclides from drilled well water. The most efficient exchanger for the removal of U from neutral and slightly alkaline waters was the strong base anion resin. The chelating aminophosphonate resin removed uranium very efficiently from slightly acidic water. As well, it was an efficient exchanger for the removal of toxic and harmful transition metals from drilled well waters. The strong and weak acid cation resins and zeolite A removed radium most efficiently. Large fractions of the total activity of polonium and lead were found to adsorb on equipment in the ion exchange studies. In investigation of this, the well waters were filtered through membranes to determine the soluble and particle-bound forms of 234,238 U, 226 Ra, 210 Po and 210 Pb. Eight of the waters were of Ca type and two were of Na-Cl type. Some of the waters also had high concentrations of Fe, Mn and humic substances. Uranium was present entirely in soluble form, probably as uranyl ion in soluble carbonate complexes. 226 Ra was in soluble form in the waters with low concentrations of Fe and Mn, but 10% of the total radium activity was bound to particles in Fe-Mn-rich waters. The speciation of Po is complex in natural waters; polonium was present in both soluble and particle-bound forms. A correlation was observed between the fractions of particle-bound 210 Po and the concentrations of iron in

  10. Quantitative chemical exchange saturation transfer (qCEST) MRI - omega plot analysis of RF-spillover-corrected inverse CEST ratio asymmetry for simultaneous determination of labile proton ratio and exchange rate.

    Science.gov (United States)

    Wu, Renhua; Xiao, Gang; Zhou, Iris Yuwen; Ran, Chongzhao; Sun, Phillip Zhe

    2015-03-01

    Chemical exchange saturation transfer (CEST) MRI is sensitive to labile proton concentration and exchange rate, thus allowing measurement of dilute CEST agent and microenvironmental properties. However, CEST measurement depends not only on the CEST agent properties but also on the experimental conditions. Quantitative CEST (qCEST) analysis has been proposed to address the limitation of the commonly used simplistic CEST-weighted calculation. Recent research has shown that the concomitant direct RF saturation (spillover) effect can be corrected using an inverse CEST ratio calculation. We postulated that a simplified qCEST analysis is feasible with omega plot analysis of the inverse CEST asymmetry calculation. Specifically, simulations showed that the numerically derived labile proton ratio and exchange rate were in good agreement with input values. In addition, the qCEST analysis was confirmed experimentally in a phantom with concurrent variation in CEST agent concentration and pH. Also, we demonstrated that the derived labile proton ratio increased linearly with creatine concentration (P analysis can simultaneously determine labile proton ratio and exchange rate in a relatively complex in vitro CEST system. Copyright © 2015 John Wiley & Sons, Ltd.

  11. Multi-method study of the characteristic chemical nature of aquatic humic substances isolated from the Han River, Korea

    International Nuclear Information System (INIS)

    Kim, Hyun-Chul; Yu, Myong-Jin; Han, Ihnsup

    2006-01-01

    Natural organic matter (NOM) from the Han River, Korea was fractionated into humic and non-humic fractions by absorbing onto XAD-7HP, and these fractions were analyzed using UV-absorption, and for dissolved organic C (DOC). The humic fraction (i.e. humic substances; HS) was extracted and its characteristics were compared to commercial humic materials using various spectroscopic methods such as Fourier transform infrared (FT-IR), proton nuclear magnetic resonance ( 1 H-NMR) and fluorescence spectroscopy. The humic fraction as organic C was 47.0% on the average, however, a rainfall event brought a higher humic fraction into Han River water. The molar ratios of H/C and O/C in the HS from Han River water (HRHS) were 1.40 and 0.76, respectively, and the ratio of aliphatic to aromatic protons in the HS (P Al /P Ar ratio) was 5.8. Aromaticity and humification degree (i.e., degree of condensation) of HRHS were relatively lower than those from other humic materials, while the portion of oxygenated functional groups was relatively higher. FT-IR, 1 H-NMR and fluorescence spectroscopy showed distinct differences between HRHS and the commercial humic materials. Commercial humic materials are not representative of HS extracted from Han River water. The fluorescence spectra, relatively simple measurements, were found to be most useful as fingerprints for humic materials from particular sources

  12. Biological and chemical evaluation of sewage water pollution in the Rietvlei nature reserve wetland area, South Africa

    International Nuclear Information System (INIS)

    Oberholster, P.J.; Botha, A.-M.; Cloete, T.E.

    2008-01-01

    Macroinvertebrate communities in Rietvlei nature reserve wetland area and their relationship with water quality were studied with the aim to evaluate their use as potential indicators of pollution. Sampling locations were selected to include outlets from swage effluent, agricultural and informal residential runoff. A large increase in nutrient concentrations was observed downstream from discharged treated sewage with an associated decrease in species richness. Bioassays performed included: Daphnia magna, Hydra attenuate, Lactuca sativa, Allium cepa and Pyxicephalus adspersus. The highest percentage of lethality response to a screen (100% concentration) of sampled wetland water by test specimens were observed at the point source input of the Hartbeespoort treated sewage plant. Data generated from the AUSRIVAS method and multitrophic level bioassays revealed the deterioration of the wetland possibly due to factors such as increasing urbanization, industrialization, agriculture runoff and rapid human settlement in the Hennops River catchment area and its principal tributaries. - Bioassays confirmed the degradation of a freshwater wetland system due to effluent from a variety of sources

  13. Biological and chemical evaluation of sewage water pollution in the Rietvlei nature reserve wetland area, South Africa

    Energy Technology Data Exchange (ETDEWEB)

    Oberholster, P.J. [CSIR Natural Resources and the Environment, P.O. Box 395, Pretoria 0001 (South Africa)], E-mail: anna.oberholster@up.ac.za; Botha, A.-M. [Department of Genetics, University of Pretoria, Hillcrest, Pretoria ZA002 (South Africa); Cloete, T.E. [Department of Microbiology and Plant Pathology, University of Pretoria, Hillcrest, Pretoria ZA002 (South Africa)

    2008-11-15

    Macroinvertebrate communities in Rietvlei nature reserve wetland area and their relationship with water quality were studied with the aim to evaluate their use as potential indicators of pollution. Sampling locations were selected to include outlets from swage effluent, agricultural and informal residential runoff. A large increase in nutrient concentrations was observed downstream from discharged treated sewage with an associated decrease in species richness. Bioassays performed included: Daphnia magna, Hydra attenuate, Lactuca sativa, Allium cepa and Pyxicephalus adspersus. The highest percentage of lethality response to a screen (100% concentration) of sampled wetland water by test specimens were observed at the point source input of the Hartbeespoort treated sewage plant. Data generated from the AUSRIVAS method and multitrophic level bioassays revealed the deterioration of the wetland possibly due to factors such as increasing urbanization, industrialization, agriculture runoff and rapid human settlement in the Hennops River catchment area and its principal tributaries. - Bioassays confirmed the degradation of a freshwater wetland system due to effluent from a variety of sources.

  14. A natural analogue for high-level waste in tuff: Chemical analysis and modeling of the Valles site

    International Nuclear Information System (INIS)

    Stockman, H.W.; Krumhansl, J.L.; Ho, C.K.; Kovach, L.; McConnell, V.S.

    1995-01-01

    The contact between an obsidian flow and a steep-walled tuff canyon was examined as an analogue for a high-level waste repository. The analogue site is located in the Valles Caldera in New Mexico, where a massive obsidian flow filled a paleocanyon in the Battleship Rock Tuff. The obsidian flow provided a heat source, analogous to waste panels or an igneous intrusion in a repository, and caused evaporation and migration of water. The tuff and obsidian samples were analyzed for major and trace elements and mineralogy by INAA, XRF, x-ray diffraction, and scanning electron microscopy and electron microprobe. Samples were also analyzed for D/H and 39 Ar/ 40 Ar isotopic composition. Overall, the effects of the heating event seem to have been slight and limited to the tuff nearest the contact. There is some evidence of devitrification and migration of volatiles in the tuff within 10 m of the contact, but variations in major and trace element chemistry are small and difficult to distinguish from the natural (pre-heating) variability of the rocks

  15. Possible Protective Effect of Low-dose Gamma Irradiation and Certain Natural Products on Chemically Induced Hepatotoxicity in Rats

    International Nuclear Information System (INIS)

    Rashed, R.R.A.

    2015-01-01

    Liver, the largest organ in the human body, is a vital organ that performs more than 500 vital metabolic functions. More than a 1000 drugs of the modern pharmacopoeia can induce liver injury with different clinical presentations. In the most severe cases, drug-induced liver injury may require liver transplantation or lead to death of the patient. Acetaminophen (acetyl-para-amino-phenol, paracetamol, APAP) is safe at therapeutic doses, but accidental or intentional overdose can induce severe hepatotoxicity in both humans and experimental animals. APAP-induced hepatotoxicity is dose related and reproducible in animals, and is thus widely used as a model for experimentally induced hepatotoxicity. Many herbs have been used as natural remedies for the prevention and/or treatment of liver diseases. Herbal drugs gained importance and popularity in recent years because of their safety, efficacy and cost effectiveness. Interestingly, exposure to a small dose or dose rate of radiation was reported to induce stress, perturbing homeostasis. Organisms respond adaptively to such disturbances. The mechanisms by which low-dose radiation (LDR) protects the cells or tissue against subsequent radiation- or drug-induced toxicities have been attributed to its stimulation of various protective molecules such as antioxidants and anti apoptotic. In the light of the above mentioned information, this study was constructed in order to investigate the mechanism(s) of the hepato protective effects offered by each of garlic oil (GO), black seed oil (BO) and sesame oil (SO) each alone or combined with low dose total body gamma (γ)-irradiation against APAP-induced hepatotoxicity in male albino Wistar rats. Preliminary pilot studies were performed prior to the main experimental work; in order to select the effective irradiation dose, the hepato protective natural products and the duration of their administration to be used in the main study. To carry out the main study, 96 rats were randomly

  16. An effect of humid climate on micro structure and chemical component of natural composite (Boehmeria nivea-Albizia falcata based wind turbine blade

    Directory of Open Access Journals (Sweden)

    Sudarsono S.

    2018-01-01

    Full Text Available In this work, wind turbine blade NACA 4415 is fabricated from natural composite of Boehmeria nivea and Albizia falcate. The composite fabrication method used is hand lay up method. The aim of the work is to investigate an effect of humid climate of coastal area on micro structure and chemical composition of composite material of the blade. The wind turbine is tested at Pantai Baru, Bantul, Yogyakarta for 5.5 months. The micro structure scanning is performed with Scanning Electron Microscope (SEM and material component is measured with Energy Dispersive X-ray spectrometer (EDS. The samples are tested before and after the use within 5.5 month at the location. The results show that composite material inexperienced interface degradation and insignificant change of micro structure. From EDS test, it is observed that Na filtration reduces C and increases O in composite material after 5.5 months.

  17. An effect of humid climate on micro structure and chemical component of natural composite (Boehmeria nivea-Albizia falcata) based wind turbine blade

    Science.gov (United States)

    Sudarsono, S.; Purwanto; Sudarsono, Johny W.

    2018-02-01

    In this work, wind turbine blade NACA 4415 is fabricated from natural composite of Boehmeria nivea and Albizia falcate. The composite fabrication method used is hand lay up method. The aim of the work is to investigate an effect of humid climate of coastal area on micro structure and chemical composition of composite material of the blade. The wind turbine is tested at Pantai Baru, Bantul, Yogyakarta for 5.5 months. The micro structure scanning is performed with Scanning Electron Microscope (SEM) and material component is measured with Energy Dispersive X-ray spectrometer (EDS). The samples are tested before and after the use within 5.5 month at the location. The results show that composite material inexperienced interface degradation and insignificant change of micro structure. From EDS test, it is observed that Na filtration reduces C and increases O in composite material after 5.5 months.

  18. Hot isostatically-pressed aluminosilicate glass-ceramic with natural crystalline analogues for immobilizing the calcined high-level nuclear waste at the Idaho Chemical Processing Plant

    International Nuclear Information System (INIS)

    Raman, S.

    1993-12-01

    The additives Si, Al, MgO, P 2 O 5 were mechanically blended with fluorinelsodium calcine in varying proportions. The batches were vacuum sealed in stainless steel canisters and hot isostatically pressed at 20,000 PSI and 1000 C for 4 hours. The resulting suite of glass-ceramic waste forms parallels the natural rocks in microstructural and compositional heterogeneity. Several crystalline phases ar analogous in composition and structure to naturally occurring minerals. Additional crystalline phases are zirconia and Ca-Mg borate. The glasses are enriched in silica and alumina. Approximately 7% calcine elements occur dissolved in this glass and the total glass content in the waste forms averages 20 wt%. The remainder of the calcine elements are partitioned into crystalline phases at 75 wt% calcine waste loading. The waste forms were tested for chemical durability in accordance with the MCC1-test procedure. The leach rates are a function of the relative proportions of additives and calcine, which in turn influence the composition and abundances of the glass and crystalline phases. The DOE leach rate criterion of less than 1 g/m 2 -day is met by all the elements B, Cs and Na are increased by lowering the melt viscosity. This is related to increased crystallization or devitrification with increases in MgO addition. This exploratory work has shown that the increases in waste loading occur by preferred partitioning of the calcine components among crystalline and glass phases. The determination of optimum processing parameters in the form of additive concentration levels, homogeneous blending among the components, and pressure-temperature stabilities of phases must be continued to eliminate undesirable effects of chemical composition, microstructure and glass devitrification

  19. Chemically reactive and naturally convective high speed MHD fluid flow through an oscillatory vertical porous plate with heat and radiation absorption effect

    Directory of Open Access Journals (Sweden)

    S.M. Arifuzzaman

    2018-04-01

    Full Text Available This paper concerns with the modelling of an unsteady natural convective and higher order chemically reactive magnetohydrodynamics (MHD fluid flow with the effect of heat and radiation absorption. The flow is generated through a vertical oscillating porous plate. Boundary layer approximations is carried out to establish a flow model which represents the time dependent momentum, energy and diffusion balance equations. Before being solved numerically, the governing partial differential equations (PDEs were transformed into a set of nonlinear ordinary differential equation (ODEs by using non-similar technique. A very efficient numerical approach solves the obtained nonlinear coupled ODEs so called Explicit Finite Difference Method (EFDM. An algorithm is implemented in Compaq Visual Fortran 6.6a as a solving tool. In addition, the stability and convergence analysis (SCA is examined and shown explicitly. The advantages of SCA is its optimizes the accuracy of system parameters such as Prandtl number (Pr and Schmidt number (Sc.The velocity, temperature and concentration fields in the boundary layer region are studied in detail and the outcomes are shown in graphically with the influence of various pertinent parameters such as Grashof number (Gr, modified Grashof number (Gr, magnetic parameter (M, Darcy number (Da,Prandtl number (Pr, Schmidt number (Sc, radiation (R, heat sink (Q,radiation absorption (Q1, Eckert number (Ec, Dufour number (Du,Soret number (Sr, Schmidt number (Sc, reaction index (P and chemical reaction (Kr. Furthermore, the effect of skin friction coefficient (Cf, Nusselt number (Nu and Sherwood number (Sh are also examined graphically. Keywords: MHD, Oscillating porous plate, Radiation absorption, High order chemical reaction, EFDM

  20. Mechanical properties of chemically modified Sansevieria trifasciata/natural rubber/high density polyethylene (STF/NR/HDPE) composites: Effect of silane coupling agent

    Science.gov (United States)

    Zakaria, Nurzam Ezdiani; Baharum, Azizah; Ahmad, Ishak

    2018-04-01

    The main objective of this research is to study the effects of chemical modification on the mechanical properties of treated Sansevieria trifasciata fiber/natural rubber/high density polyethylene (TSTF/NR/HDPE) composites. Processing of STF/NR/HDPE composites was done by using an internal mixer. The processing parameters used were 135°C for temperature and a mixing rotor speed of 55 rpm for 15 minutes. Filler loading was varied from 10% to 40% of STF and the fiber size used was 125 µm. The composite blends obtained then were pressed with a hot press machine to get test samples of 1 mm and 3 mm of thickness. Samples were evaluated via tensile tests, Izod impact test and scanning electron microscopy (SEM). Results showed that tensile strength and strain value decreased while tensile modulus increased when filler loading increased. Impact strength increased when filler loading increased and began to decrease after 10% of filler amount for treated composites. For untreated composites, impact strength began to decrease after 20% of filler loading. Chemical modification by using silane coupling agent has improved certain mechanical properties of the composites such as tensile strength, strain value and tensile modulus. Adding more amount of filler will also increase the viscosity and the stiffness of the materials.

  1. Relationships between persistent organic chemicals residues and biochemical constituents in fish from a protected area: the French National Nature Reserve of Camargue.

    Science.gov (United States)

    Roche, Hélène; Buet, Astrid; Ramade, François

    2002-11-01

    The Reserve of Biosphere of Camargue [French National Nature Reserve of Camargue (NNRC)] is a protected area frequently exposed to natural and anthropogenic environmental alterations. To evaluate potential contamination of fish with lipophilic chemicals-organochlorines (OCs) and polycyclic aromatic hydrocarbons (PAHs)-a biological monitoring survey was carried out. Metabolic reserve levels were evaluated to select appropriate biological indicators able to be significant biomarkers. In addition, the incorporation of xenobiotic molecules in the lipid compartments was investigated. The contents of glycogen, total lipids, proteins and lipidic phosphorus were analyzed in liver and skeletal muscles of three teleostean: the European eel (Anguilla anguilla); the crucian carp (Carassius auratus); and the catfish (Ictalurus melas). The atmospheric origin of the PAH detected in any season in the biomass and the OCs compounds contamination by derive from agricultural treatments are established. In contradiction with some laboratory acute intoxication studies, we observe a positive correlation between tissue concentrations of contaminants and the muscular glycogen amount, a sensitive energy reserve marker. Moreover, it seems likely that the incorporation of these xenobiotics is located preferentially in the membrane structures.

  2. Correcting ligands, metabolites, and pathways

    Directory of Open Access Journals (Sweden)

    Vriend Gert

    2006-11-01

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

  3. Corrective Jaw Surgery

    Medline Plus

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

  4. Antimycobacterial natural products from Moroccan medicinal plants: Chemical composition, bacteriostatic and bactericidal profile of Thymus satureioides and Mentha pulegium essential oils

    Institute of Scientific and Technical Information of China (English)

    Marwa Chraibi; Abdellah Farah; Sara Lebrazi; Oumaima El Amine; Mohammed Iraqui Houssaini; Kawtar Fikri-Benbrahim

    2016-01-01

    Objective: To evaluate the susceptibility of Mycobacterium aurum and Mycobacterium smegmatis in vitro to the essential oils obtained from two medicinal plants: Thymus satureioides(T. satureioides) and Mentha pulegium(M. pulegium), and to study their chemical composition.Methods: The aerial parts of T. satureioides and M. pulegium(leaves and stems) were hydro-distillated using a Clevenger-type apparatus and essential oils were analyzed and identified by gas chromatography-mass spectrometry. Antimycobacterial screening of essential oils was performed on the basis of the inhibition zone diameter by disc diffusion method against two mycobacterial strains whereas the minimal inhibitory concentration and minimal bactericidal concentration were determined by using the micro-dilution method.Results: Chemical analysis of their aerial part’s essential oils gave as major compounds,borneol(34.26%), carvacrol(31.21%) and thymol(3.71%) for T. satureioides and R(+)-pulegone(75.48%), carvone(6.66%) and dihydrocarvone(4.64%) for M. pulegium.Thereafter their antimycobacterial effect evaluation, using the micro-dilution method,indicated that minimal inhibitory concentration values of T. satureioides essential oil ranged from 0.062% to 0.015%(v/v) and from 0.125% to 0.031%(v/v) for M. pulegium respectively against Mycobacterium aurum and Mycobacterium smegmatis.Conclusions: It is clearly evident from the results obtained that the Moroccan medicinal plants have great potential to be used as anti-tuberculosis agents. These findings may help scientists to undertake several research projects to discover useful natural product as new anti-tuberculosis drug.

  5. Antimycobacterial natural products from Moroccan medicinal plants:Chemical composition, bacteriostatic and bactericidal profile of Thymus satureioides and Mentha pulegium essential oils

    Institute of Scientific and Technical Information of China (English)

    Marwa Chraibi; Abdellah Farah; Sara Lebrazi; Oumaima El Amine; Mohammed Iraqui Houssaini; Kawtar Fikri-Benbrahim

    2016-01-01

    Objective: To evaluate the susceptibility of Mycobacterium aurum and Mycobacterium smegmatis in vitro to the essential oils obtained from two medicinal plants: Thymus satureioides (T. satureioides) and Mentha pulegium (M. pulegium), and to study their chemical composition. Methods: The aerial parts of T. satureioides and M. pulegium (leaves and stems) were hydro-distillated using a Clevenger-type apparatus and essential oils were analyzed and identified by gas chromatography-mass spectrometry. Antimycobacterial screening of essential oils was performed on the basis of the inhibition zone diameter by disc diffusion method against two mycobacterial strains whereas the minimal inhibitory concentration and minimal bactericidal concentration were determined by using the micro-dilution method. Results: Chemical analysis of their aerial part's essential oils gave as major compounds, borneol (34.26%), carvacrol (31.21%) and thymol (3.71%) for T. satureioides and R(+)-pulegone (75.48%), carvone (6.66%) and dihydrocarvone (4.64%) for M. pulegium. Thereafter their antimycobacterial effect evaluation, using the micro-dilution method, indicated that minimal inhibitory concentration values of T. satureioides essential oil ranged from 0.062%to 0.015%(v/v) and from 0.125%to 0.031%(v/v) for M. pulegium respectively against Mycobacterium aurum and Mycobacterium smegmatis. Conclusions: It is clearly evident from the results obtained that the Moroccan medicinal plants have great potential to be used as anti-tuberculosis agents. These findings may help scientists to undertake several research projects to discover useful natural product as new anti-tuberculosis drug.

  6. Exploring Natural Products from the Biodiversity of Pakistan for Computational Drug Discovery Studies: Collection, Optimization, Design and Development of A Chemical Database (ChemDP).

    Science.gov (United States)

    Mirza, Shaher Bano; Bokhari, Habib; Fatmi, Muhammad Qaiser

    2015-01-01

    Pakistan possesses a rich and vast source of natural products (NPs). Some of these secondary metabolites have been identified as potent therapeutic agents. However, the medicinal usage of most of these compounds has not yet been fully explored. The discoveries for new scaffolds of NPs as inhibitors of certain enzymes or receptors using advanced computational drug discovery approaches are also limited due to the unavailability of accurate 3D structures of NPs. An organized database incorporating all relevant information, therefore, can facilitate to explore the medicinal importance of the metabolites from Pakistani Biodiversity. The Chemical Database of Pakistan (ChemDP; release 01) is a fully-referenced, evolving, web-based, virtual database which has been designed and developed to introduce natural products (NPs) and their derivatives from the biodiversity of Pakistan to Global scientific communities. The prime aim is to provide quality structures of compounds with relevant information for computer-aided drug discovery studies. For this purpose, over 1000 NPs have been identified from more than 400 published articles, for which 2D and 3D molecular structures have been generated with a special focus on their stereochemistry, where applicable. The PM7 semiempirical quantum chemistry method has been used to energy optimize the 3D structure of NPs. The 2D and 3D structures can be downloaded as .sdf, .mol, .sybyl, .mol2, and .pdb files - readable formats by many chemoinformatics/bioinformatics software packages. Each entry in ChemDP contains over 100 data fields representing various molecular, biological, physico-chemical and pharmacological properties, which have been properly documented in the database for end users. These pieces of information have been either manually extracted from the literatures or computationally calculated using various computational tools. Cross referencing to a major data repository i.e. ChemSpider has been made available for overlapping

  7. Chemical and isotopic characterization of water-rock interactions in shales induced by the intrusion of a basaltic dike: A natural analogue for radioactive waste disposal

    International Nuclear Information System (INIS)

    Techer, Isabelle; Rousset, Davy; Clauer, Norbert; Lancelot, Joel; Boisson, Jean-Yves

    2006-01-01

    Disposal of nuclear waste in deep geological formations is expected to induce thermal fluxes for hundreds of years with maximum temperature reaching about 100-150 deg. C in the nearfield argillaceous environment. The long-term behavior of clays subjected to such thermal gradients needs to be perfectly understood in safety assessment considerations. In this respect, a Toarcian argillaceous unit thermally disturbed by the intrusion of a 1.1-m wide basaltic dike at the Perthus pass (Herault, France), was studied in detail as a natural analogue. The thermal imprint induced by the dike was evaluated by a mineralogical, chemical and K-Ar study of the <2 μm clay fraction of shale samples collected at increasing distance from the basalt. The data suggest that the mineral composition of the shales was not significantly disturbed when the temperature was below 100-150 deg. C. Closer to the dike at 150-300 deg. C, changes such as progressive dissolution of chlorite and kaolinite, increased content of the mixed layers illite-smectite with more illite layers, complete decalcification and subsequent increased content of quartz, were found. At the eastern contact with the dike, the mineral and chemical compositions of both the shales and the basalt suggest water-rock interactions subsequent to the intrusion with precipitation of palagonite and renewed but discrete deposition of carbonate. A pencil cleavage developed in the shales during the dike emplacement probably favored water circulation along the contact. Strontium isotopic data suggest that the fluids of probable meteoric origin, reacted with Bathonian and Bajocian limestones before entering the underlying Toarcian shales. By analogy with deep geological radioactive waste repositories, the results report discrete mineralogical variations of the clays when subjected to temperatures of 100-150 deg. C that are expected in deep storage conditions. Beyond 150 deg. C, significant mineralogical changes may alter the physical and

  8. Nature of Atmospheric Aerosols over the Desert Areas in the Asian Continent: Chemical State and Number Concentration of Particles Measured at Dunhuang, China

    International Nuclear Information System (INIS)

    Iwasaka, Y.; Shi, G.-Y.; Shen, Z.; Kim, Y. S.; Trochkine, D.; Matsuki, A.; Zhang, D.; Shibata, T.; Nagatani, M.; Nakata, H.

    2003-01-01

    Measurements of aerosol were made in August and October 2001, and January 2002, at Dunhuang, China (40 o 00'N, 94 o 30'E), to understand the nature of atmospheric particles over the desert areas in the Asian continent. Balloon-borne measurements with an optical particle counter suggested that particle size and concentration had a noticeable peak in size range of super micron in not only the boundary mixing layer but also the free troposphere. Thickness of the boundary mixing layer, from distributions of particle concentration, was about 4 km in summer (17 August 2001), about2.5 km in fall (17 October 2001), and about 3 km in winter (11 January 2002), which suggest active mixing of particles near the boundary in summer. Number-size distribution of particle showed a noticeable peak in the super micron particles size range in the mixing boundary layer: 0.4-2 particles cm -3 at diameter>1.2 μm in summer, 0.05-4 particles cm -3 at diameter >1.2 μm in fall, and 0.1-5 particles cm -3 at diameter>1.2 μm in winter. In winter strong inversion of atmospheric temperature was found in the height range from the boundary to about 3 km and vertical distribution of particle concentration well corresponded with the temperature distribution. Chemical elements of individual aerosols, which were collected in the boundary layer atmosphere at Dunhuang (18 October 2001) were analyzed with an electron microscope equipped with EDX. Those single particle analysis suggested that most of the particles with supermicron size were soil particles, and those particles had little sulfate on its surface. This is a very important different point,comparing with the chemical state of soil particles, which were transported from the desert area of China to Japan, and showed frequently the existence of sulfate on the particle surface. Therefore, it is strongly suggested that dust particles can be chemically modified during their long-range transport from desert areas to Japan

  9. Radiotracer study of the adsorption of Fe(III), Cr(III) and Cd(II) on natural and chemically modified Slovak zeolite

    International Nuclear Information System (INIS)

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

    1998-01-01

    In order to minimize the contamination of environment with metals in ionic form the more types of natural and chemically modified zeolites were examined to their uptake of Fe(III), Cr(III) and Cd(II) from water solutions by batch radio-exchange equilibration method. In this study was used zeolitic tuff from deposit Nizny Hrabovec (content of clinoptilolite 50-70%) with the grain size from 1.2 to 2.2 mm. The granules of zeolite were modified with the following NaOH solutions: ).5, 1, 2 and 4 mol.l -1 at 80 grad C for 4 hours. The sorption of Fe, Cr and Cd ions on all types of zeolites was studied by radio-exchange method and the sorption of Fe and Cr also flame atomic absorption method. From sorption curves the sorption coefficients were calculated. The results obtained in this work show that zeolites modified with NaOH solution are suitable for adsorption of Fe(III), Cr(III) and Cd(II) from underwater, waste water, feed water and coolant water from nuclear plants. The adsorbed zeolites can be solidified by conventional way

  10. Chemical Compositions of the Peel Essential Oil of Citrus aurantium and its Natural Larvicidal Activity against the Malaria Vector Anopheles stephensi (Diptera: Culicidae in Comparison with Citrus paradisi

    Directory of Open Access Journals (Sweden)

    Alireza Sanei-Dehkordi

    2016-10-01

    Full Text Available Background: Recently, essential oils and extracts derived from plants have received much interest as potential bioactive agents against mosquito vectors.Methods: The essential oils extract from fresh peel of ripe fruit of Citrus aurantium and Citrus paradisi were tested against mosquito vector Anopheles stephensi (Diptera: Culicidae under laboratory condition. Then chemical com­position of the essential oil of C. aurantium was analyzed using gas chromatography-mass spectrometry (GC–MS.Results: The essential oils obtained from C. aurantium, and C. paradisi showed good larviciding effect against An. stephensi with LC50 values 31.20 ppm and 35.71 ppm respectively. Clear dose response relationships were established with the highest dose of 80 ppm plant extract evoking almost 100% mortality. Twenty-one (98.62% constituents in the leaf oil were identified. The main constituent of the leaf oil was Dl-limonene (94.81.Conclusion: The results obtained from this study suggest that the limonene of peel essential oil of C. aurantium is promising as larvicide against An. stephensi larvae and could be useful in the search for new natural larvicidal compounds.

  11. Relation between crystallinity and chemical nature of surface on wettability: A study on pulsed laser deposited TiO2 thin films

    International Nuclear Information System (INIS)

    Shirolkar, Mandar M.; Phase, Deodatta; Sathe, Vasant; Choudhary, Ram Janay; Rodriguez-Carvajal, J.; Kulkarni, Sulabha K.

    2011-01-01

    Pure titania (TiO 2 ) polycrystalline thin films in rutile, anatase and mixed phase have been grown on amorphous glass substrates by pulsed laser deposition method at various oxygen gas pressure. Wettability investigations have been carried out on these films. Consistent with our previous report [J. Phys. D: Appl. Phys. 41, 155308 (2008)] it has been observed that for nearly same surface roughness large contact angle or superhydrophobicity is present when sample has a pure single phase and lower contact angle or hydrophobicity when mixed phases were present. Structural characterizations suggest that in addition to roughness, pure phase film surface associated with hydrophobic sites and mixed phase film surface show association of both hydrophobic and hydrophilic sites, which might be inducing specific wetting character. UV treatment induces superhydrophilicity in the films. It was observed that UV irradiation causes nonequilibrium state on the TiO 2 surface, leading to changes in the electron density, which in turn produces decrement in the crystallinity and lattice expansion. Reversible changes in the wetting state on the pure phase surfaces were observed to be faster than those on the mixed phase surfaces. We tried to establish the possible relation between crystalline phases, chemical nature of surface on reversible wettability besides the main governing parameter viz. surface roughness.

  12. Modification of chemical and conformational properties of natural organic matter by click chemistry as revealed by ESI-Orbitrap mass spectrometry.

    Science.gov (United States)

    Nebbioso, Antonio; Piccolo, Alessandro

    2015-11-01

    A click reaction is reported here for the first time as a useful technique to control the conformational stability of natural organic matter (NOM) suprastructures. Click conjugates were successfully formed between a previously butynylated NOM hydrophobic fraction and a hydrophilic polyethylene glycol (PEG)-amino chain. The click products were shown by size exclusion chromatography (HPSEC) hyphenated with Orbitrap mass spectrometry (MS) in electrospray ionization (ESI) (+), while precursors were visible in ESI (-). Despite their increase in molecular weight, HPSEC elution of click conjugates occurred after that of precursors, thus showing their departure from the NOM supramolecular association. This indicates that the click-conjugated NOM molecules were varied in their hydrophilic and cationic character and lost the capacity to accommodate in the original hydrophobic suprastructures. The most abundant product had the C16H30O5N4 formula, a click conjugate of butanoic acid, while other products were short-chained (C4-C8) linear unsaturated and hydroxylated carboxylic acids. Tandem MS revealed formation of triazole rings in clicked conjugates and their two fragmentations at the ester and the C-N alkyl-aryl bonds. The behavior of NOM molecules modified by click chemistry confirms that hydrophobicity and ionic charge of humic molecules play a pivotal role in stabilizing intermolecular forces in NOM. Moreover, the versatility of the click reaction may become useful to decorate NOM molecules with a variety of substrates, in order to alter NOM conformational and chemical properties and diversify its applications in the environment.

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

    International Nuclear Information System (INIS)

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

    2012-01-01

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

  14. Human exposure to unconventional natural gas development: A public health demonstration of periodic high exposure to chemical mixtures in ambient air.

    Science.gov (United States)

    Brown, David R; Lewis, Celia; Weinberger, Beth I

    2015-01-01

    Directional drilling and hydraulic fracturing of shale gas and oil bring industrial activity into close proximity to residences, schools, daycare centers and places where people spend their time. Multiple gas production sources can be sited near residences. Health care providers evaluating patient health need to know the chemicals present, the emissions from different sites and the intensity and frequency of the exposures. This research describes a hypothetical case study designed to provide a basic model that demonstrates the direct effect of weather on exposure patterns of particulate matter smaller than 2.5 microns (PM2.5) and volatile organic chemicals (VOCs). Because emissions from unconventional natural gas development (UNGD) sites are variable, a short term exposure profile is proposed that determines 6-hour assessments of emissions estimates, a time scale needed to assist physicians in the evaluation of individual exposures. The hypothetical case is based on observed conditions in shale gas development in Washington County, Pennsylvania, and on estimated emissions from facilities during gas development and production. An air exposure screening model was applied to determine the ambient concentration of VOCs and PM2.5 at different 6-hour periods of the day and night. Hourly wind speed, wind direction and cloud cover data from Pittsburgh International Airport were used to calculate the expected exposures. Fourteen months of daily observations were modeled. Higher than yearly average source terms were used to predict health impacts at periods when emissions are high. The frequency and intensity of exposures to PM2.5 and VOCs at a residence surrounded by three UNGD facilities was determined. The findings show that peak PM2.5 and VOC exposures occurred 83 times over the course of 14 months of well development. Among the stages of well development, the drilling, flaring and finishing, and gas production stages produced higher intensity exposures than the

  15. Biomass Burning and Natural Emissions in the Brazilian Amazon Rainforest: Chemical Composition and Impact on the Oxidative Capacity of the Atmosphere

    Science.gov (United States)

    dos Santos, F. C.; Longo, K.; Guenther, A. B.; Gu, D.; Kim, S.; Freitas, S.; Moreira, D. S.; Flávio, L.; Braz, R.; Brito, J.; Oram, D.; Foster, G.; Lee, J. D.

    2017-12-01

    Emitted by vegetation, isoprene (2-methyl-1,3-butadiene) is the most abundant non-methane hydrocarbons, with an annual global emission calculated ranging from 440 to 660Tg carbon, depending on the driving variables like temperature, solar radiation, LAI and PFT. The natural compounds like isoprene and terpenes present in the troposphere are about 90% and 50%, respectively, removed from the atmosphere by oxidation performed by hydroxyl radical (OH). Considering the importance of these emissions and the hydroxyl radical reaction in the atmosphere, the SAMBBA (South American Biomass Burning Analysis) experiment, which occurred during the dry season (September 2012) in the Brazilian Amazon Rainforest, provided information about the chemical composition of the atmosphere through airborne observations. Although primarily focused on biomass burning flights, the SAMBBA project carried out flights in pristine environment. In this study, we determine the ambient distribution of CO, NOx and O3, and evaluate the oxidative capacity of the Amazon rainforest in different chemical regimes, using the ratio [MVK + MACR]/[Isoprene]. Beyond that, we proposed an improvement on the formulation of indirect OH density calculation, using the photochemical aging [O3]/[CO] as a parameter. Balancing numerical modeling and direct observations, the numerical model BRAMS was coupled to MEGAN emission model to get a better result for isoprene and OH in the atmosphere, representing the observations during SAMBBA field campaign. In relation to OH estimation, we observed an improvement in the concentration values using the modified sequential reaction model, for both biomass burning regimes and background environment. We also detected a long-range transport events of O3, considering the high levels of O3 in aged plumes at high altitudes (5,500 - 6,500 m), and the detection of an O3 inflow in the Amazon basin from Africa. These findings support the importance of long-range transport events as a

  16. Pair Natural Orbital Restricted Open-Shell Configuration Interaction (PNO-ROCIS) Approach for Calculating X-ray Absorption Spectra of Large Chemical Systems.

    Science.gov (United States)

    Maganas, Dimitrios; DeBeer, Serena; Neese, Frank

    2018-02-08

    In this work, the efficiency of first-principles calculations of X-ray absorption spectra of large chemical systems is drastically improved. The approach is based on the previously developed restricted open-shell configuration interaction singles (ROCIS) method and its parametrized version, based on a density functional theory (DFT) ground-state determinant ROCIS/DFT. The combination of the ROCIS or DFT/ROCIS methods with the well-known machinery of the pair natural orbitals (PNOs) leads to the new PNO-ROCIS and PNO-ROCIS/DFT variants. The PNO-ROCIS method can deliver calculated metal K-, L-, and M-edge XAS spectra orders of magnitude faster than ROCIS while maintaining an accuracy with calculated spectral parameters better than 1% relative to the original ROCIS method (referred to as canonical ROCIS). The method is of a black box character, as it does not require any user adjustments, while it scales quadratically with the system size. It is shown that for large systems, the size of the virtual molecular orbital (MO) space is reduced by more than 90% with respect to the canonical ROCIS method. This allows one to compute the X-ray absorption spectra of a variety of large "real-life" chemical systems featuring hundreds of atoms using a first-principles wave-function-based approach. Examples chosen from the fields of bioinorganic and solid-state chemistry include the Co K-edge XAS spectrum of aquacobalamin [H 2 OCbl] + , the Fe L-edge XAS spectrum of deoxymyoglobin (DMb), the Ti L-edge XAS spectrum of rutile TiO 2 , and the Fe M-edge spectrum of α-Fe 2 O 3 hematite. In the largest calculations presented here, molecules with more than 700 atoms and cluster models with more than 50 metal centers were employed. In all the studied cases, very good to excellent agreement with experiment is obtained. It will be shown that the PNO-ROCIS method provides an unprecedented performance of wave-function-based methods in the field of computational X-ray spectroscopy.

  17. Process design of a hydrogen production plant from natural gas with CO2 capture based on a novel Ca/Cu chemical loop

    International Nuclear Information System (INIS)

    Martínez, I.; Romano, M.C.; Fernández, J.R.; Chiesa, P.; Murillo, R.; Abanades, J.C.

    2014-01-01

    Highlights: • Process design of a H 2 production plant based on a novel Ca/Cu looping process is presented. • CuO reduction with syngas provides energy for CaCO 3 calcination. • The effect of operating conditions on plant performance indexes is analysed. • Carbon capture efficiencies of around 94% are obtained. • Around 6% points of equivalent H 2 efficiency improvement on conventional reforming. - Abstract: A detailed and comprehensive design of a H 2 production plant based on a novel Ca/Cu chemical looping process is presented in this work. This H 2 production process is based on the sorption-enhanced reforming concept using natural gas together with a CaO/CaCO 3 chemical loop. A second Cu/CuO loop is incorporated to supply energy for the calcination of the CaCO 3 via the reduction of CuO with a fuel gas. A comprehensive energy integration description of the different gas streams available in the plant is provided to allow a thermodynamic assessment of the process and to highlight its advantages and drawbacks. Hydrogen equivalent efficiencies of up to 77% are feasible with this novel Ca/Cu looping process, using an active reforming catalyst based on Pt, high oxidation temperatures and moderate gas velocities in the fixed bed system, which are around 6% points above the efficiency of a reference H 2 production plant based on conventional steam reforming including CO 2 capture with MDEA. Non-converted carbon compounds in the reforming stage are removed as CO 2 in the calcination stage of the Ca/Cu looping process, which will be compressed and sent for storage. Carbon capture efficiencies of around 94% can be obtained with this Ca/Cu looping process, which are significantly higher than those obtained in the reference plant that uses MDEA absorption (around 85%). Additional advantages, such as its compact design and the use of cheaper materials compared to other commercial processes for H 2 production with CO 2 capture, confirm the potential of the Ca

  18. Thermodynamics of Error Correction

    Directory of Open Access Journals (Sweden)

    Pablo Sartori

    2015-12-01

    Full Text Available Information processing at the molecular scale is limited by thermal fluctuations. This can cause undesired consequences in copying information since thermal noise can lead to errors that can compromise the functionality of the copy. For example, a high error rate during DNA duplication can lead to cell death. Given the importance of accurate copying at the molecular scale, it is fundamental to understand its thermodynamic features. In this paper, we derive a universal expression for the copy error as a function of entropy production and work dissipated by the system during wrong incorporations. Its derivation is based on the second law of thermodynamics; hence, its validity is independent of the details of the molecular machinery, be it any polymerase or artificial copying device. Using this expression, we find that information can be copied in three different regimes. In two of them, work is dissipated to either increase or decrease the error. In the third regime, the protocol extracts work while correcting errors, reminiscent of a Maxwell demon. As a case study, we apply our framework to study a copy protocol assisted by kinetic proofreading, and show that it can operate in any of these three regimes. We finally show that, for any effective proofreading scheme, error reduction is limited by the chemical driving of the proofreading reaction.

  19. Surgical correction of postoperative astigmatism

    Directory of Open Access Journals (Sweden)

    Lindstrom Richard

    1990-01-01

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

  20. NWS Corrections to Observations

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Form B-14 is the National Weather Service form entitled 'Notice of Corrections to Weather Records.' The forms are used to make corrections to observations on forms...

  1. Corrective Jaw Surgery

    Medline Plus

    Full Text Available ... more surgeries depending on the extent of the repair needed. Click here to find out more. Corrective ... more surgeries depending on the extent of the repair needed. Click here to find out more. Corrective ...

  2. Corrective Jaw Surgery

    Medline Plus

    Full Text Available ... Jaw Surgery Download Download the ebook for further information Corrective jaw, or orthognathic surgery is performed by ... your treatment. Correction of Common Dentofacial Deformities ​ ​ The information provided here is not intended as a substitute ...

  3. Cob(I)alamin: insight into the nature of electronically excited states elucidated via quantum chemical computations and analysis of absorption, CD and MCD data.

    Science.gov (United States)

    Kornobis, Karina; Ruud, Kenneth; Kozlowski, Pawel M

    2013-02-07

    The nature of electronically excited states of the super-reduced form of vitamin B(12) (i.e., cob(I)alamin or B(12s)), a ubiquitous B(12) intermediate, was investigated by performing quantum-chemical calculations within the time-dependent density functional theory (TD-DFT) framework and by establishing their correspondence to experimental data. Using response theory, the electronic absorption (Abs), circular dichroism (CD) and magnetic CD (MCD) spectra of cob(I)alamin were simulated and directly compared with experiment. Several issues have been taken into considerations while performing the TD-DFT calculations, such as strong dependence on the applied exchange-correlation (XC) functional or structural simplification imposed on the cob(I)alamin. In addition, the low-lying transitions were also validated by performing CASSCF/MC-XQDPT2 calculations. By comparing computational results with existing experimental data a new level of understanding of electronic excitations has been established at the molecular level. The present study extends and confirms conclusions reached for other cobalamins. In particular, the better performance of the BP86 functional, rather than hybrid-type, was observed in terms of the excitations associated with both Co d and corrin π localized transitions. In addition, the lowest energy band was associated with multiple metal-to-ligand charge transfer excitations as opposed to the commonly assumed view of a single π → π* transition followed by vibrational progression. Finally, the use of the full cob(I)alamin structure, instead of simplified molecular models, shed new light on the spectral analyses of cobalamin systems and revealed new challenges of this approach related to long-range charge transfer excitations involving side chains.

  4. Towards Compensation Correctness in Interactive Systems

    Science.gov (United States)

    Vaz, Cátia; Ferreira, Carla

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

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

    Science.gov (United States)

    2011-12-01

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

  6. Dissolved Organic In Natural and Polluted Waters: Methodology and Results of Running Control of Chemical Oxygen Demand (cod) For The Inland and Marine Aquatic System

    Science.gov (United States)

    Melentyev, K. V.; Worontsov, A. M.

    Current control of dissolved organic matter in natural and waste waters is the definition traditionally of chemical oxygen demand (COD) -- one of the basic parameters of quality of water. According to the International Standard (ISO 6060), it requires not less than one hour, while in many cases the operative information about amount of dissolved organic matter in aquatic environments have importance for prevention of an emergency. The standard method is applicable to waters with meaning of COD above 30 mg O2/l and, as the chloride ion prevents, it could be difficult for assessment of organic matter in sea water. Besides it is based on dichromate oxidation of the sum of organic substances in strong acid conditions at the presence of silver and mercury, that resulted in formation toxic pollutants. Till now attempts of automation of the COD definition in aquatic system were limited, basically, to duplication of the technology submitted the above standard (automatic COD analyzers "SERES Co."-- France, or "Tsvet Co." - Russia). The system of ozone-chemiluminescence automatic control of organic matter in water (CS COD) is offered and designed. Its based on the ozone oxidation of these substances in flowing water system and measurement arising from luminescent effects. CS COD works in real time. An instrument uses for reaction the atmospheric air, doesn't require fill of reagents and doesn't make new toxic pollutants. The system was tested in laboratory, and biochemical control of organic matter in water samples gathered from the river Neva and other polluted inland water areas and basins in St. Petersburg region was fulfilled (distilled water was used as "zero" media). The results of systematization of these measurements are presented. The new special ozone generator and flowing reactor for real-time running control of different waters in natural conditions were developed, and several series of large - scale field experiments onboard research ship were provided

  7. Automatic color preference correction for color reproduction

    Science.gov (United States)

    Tsukada, Masato; Funayama, Chisato; Tajima, Johji

    2000-12-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    NNSA/NSO

    2002-12-12

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

  9. High order corrections to the renormalon

    International Nuclear Information System (INIS)

    Faleev, S.V.

    1997-01-01

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

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

    Science.gov (United States)

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

    2017-12-14

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

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

    Science.gov (United States)

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

    2015-04-01

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

  12. Development of soil-cement blocks with three interventions: natural soil, soil corrected with sand and soil more phase change materials (PCMs); Desenvolvimento de blocos solo-cimento com tres intervencoes: solo natural, solo corrigido com areia e solo mais materiais de mudanca de fase (MMFs)

    Energy Technology Data Exchange (ETDEWEB)

    Dantas, Valter Bezerra; Gomes, Uilame Umbelino; Reis, Edmilson Pedreira; Valcacer, Samara Melo; Silva, A.S., E-mail: valter.fisic@hotmail.com, E-mail: umbelino@dfte.ufrn.br, E-mail: pedreira.reis@ig.com.br, E-mail: gmarinho@ct.ufrn.br, E-mail: samaravalcacer@hotamil.com, E-mail: ariadness2@yahoo.com.br [Universidade Federal do Rio Grande do Norte (PPGCEM/UFRN), Natal, RN (Brazil). Departamento de Fisica Teorica e Experimental. Programa de Pos-Graduacao em Ciencia e Engenharia de Materiais

    2014-07-01

    In this work, the results of characterization tests of soil samples collected in Mossoro-RN, UFERSA-RN Campus, located approximately 20 meters high, and {sup 5} ° 12'34.68 south latitude and 37 ° 19'5.74 {sup w}est longitude, with the purpose of producing soil-cement for the manufacture of pressed blocks with good resistance to compression and thermal stability. The following tests were performed: granulometry, plasticity limit, liquidity limit, particle size correction, scanning electron microscopy (SEM), X-ray fluorescence. In this soil, based on the results of the granulometric analysis, 10% of medium sand with 3% and 5% of eicosane paraffin and 10% of medium sand with 3% and 5% of paraffin 120 / 125F were added, forming analysis compositions, standard soil-cement block and natural soil-cement block with addition of 10% medium sand and 0% paraffin. Paraffins are referred to as PCMs (Phase Change Material). The contrasting effect between the different dosages on the compressive strength values of the soil-cement blocks was observed. The objective is to create new materials that give the block quality equal to or higher than the recommendations of ABNT norms, and that offer greater thermal comfort in the constructions. Soil particles of different sizes were added to 8% (by weight) of cement, and about 9.20% of water added to the mixture.

  13. Trends in the analysis of natural gas by capillary gas chromatography

    NARCIS (Netherlands)

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

    1986-01-01

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

  14. Corrections to primordial nucleosynthesis

    International Nuclear Information System (INIS)

    Dicus, D.A.; Kolb, E.W.; Gleeson, A.M.; Sudarshan, E.C.G.; Teplitz, V.L.; Turner, M.S.

    1982-01-01

    The changes in primordial nucleosynthesis resulting from small corrections to rates for weak processes that connect neutrons and protons are discussed. The weak rates are corrected by improved treatment of Coulomb and radiative corrections, and by inclusion of plasma effects. The calculations lead to a systematic decrease in the predicted 4 He abundance of about ΔY = 0.0025. The relative changes in other primoridal abundances are also 1 to 2%

  15. Natural ventilation for free stall dairy barns

    OpenAIRE

    Gay, Susan Wood

    2009-01-01

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

  16. Cultivated strains of Agaricus bisporus and A.brasiliensis: chemical characterization and evaluation of antioxidant and antimicrobial properties for the final healthy product – natural preservatives in yoghurt

    NARCIS (Netherlands)

    Stojkovic, D.S.; Reis, F.S.; Glamoclija, J.; Ciric, A.; Barros, L.; Griensven, van L.J.L.D.; Ferreira, I.C.F.R.; Sokovic, M.

    2014-01-01

    Agaricus bisporus (J. E. Lange) Emil J. Imbach and Agaricus brasiliensis Wasser, M. Didukh, Amazonas & Stamets are edible mushrooms. We chemically characterized these mushrooms for nutritional value, hydrophilic and lipophilic compounds. The antioxidant and antimicrobial activities of methanolic

  17. Video Error Correction Using Steganography

    Science.gov (United States)

    Robie, David L.; Mersereau, Russell M.

    2002-12-01

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

  18. Video Error Correction Using Steganography

    Directory of Open Access Journals (Sweden)

    Robie David L

    2002-01-01

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

  19. Siderophores of Stenotrophomonas maltophilia: detection and determination of their chemical nature Sideróforos de Stenotrophomonas maltophilia: detección y determinación de su naturaleza química

    OpenAIRE

    Carlos A. García; Beatriz Passerini De Rossi; Eliana Alcaraz; Carlos Vay; Mirta Franco

    2012-01-01

    Stenotrophomonas maltophilia is an emerging nosocomial pathogen. Despite the broad spectrum of syndromes associated with S. maltophilia infections, little is known about its virulence factors, including siderophore production. The aims of this work were to detect S. maltophilia siderophores and to determine their chemical nature. We studied 31 S. maltophilia isolates from device-associated infections, recovered over the period 2006-2011 at Hospital de Clínicas José de San Martin, Buenos Aires...

  20. Publisher Correction: Predicting unpredictability

    Science.gov (United States)

    Davis, Steven J.

    2018-06-01

    In this News & Views article originally published, the wrong graph was used for panel b of Fig. 1, and the numbers on the y axes of panels a and c were incorrect; the original and corrected Fig. 1 is shown below. This has now been corrected in all versions of the News & Views.

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

    Science.gov (United States)

    Polio, Charlene

    2012-01-01

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

  2. Radiological assessment and chemical treatment of contaminated soil with naturally occurring radioactive materials ''NORM'' by leaching with different solvents and their reuse

    International Nuclear Information System (INIS)

    Nafae, T.M.

    2015-01-01

    Contaminated soil with naturally occurring radioactive material NORM is produced from uncontrolled disposal of oil field produced water in the surrounding environment or scale and sludge produced from clean-up operation system is considered as a real big problem in Iraq which causes exposure and contamination of worker and environment. The present work aims to treat the contaminated soil with NORM in order to minimize the volume of radioactive waste and to reduce the risk of radiation to the allowable limits. Samples of representative contaminated soil from Al-Rumaila oil field in Al-Basra governorate was prepared for analysis and leaching tests Gamma spectrometer with extended range low-level coaxial High Purity Germanium (HPGe) detector with high resolution (2.1 keV at 1332 keV) and 50% relative efficiency was utilized to measured all samples. Two techniques were tested, mechanical separation and chemical treatment. Screening of contaminated soil was performed to evaluate the feasibility of particle size separation. The fractions obtained varied between 75micro meter Greek Small Letter (200 mesh) to 300μm (48 mesh).The results show that the largest weight percent in fine particle size ( -75, -125+75, -250+125) μm is 73.9% and all radium isotopes are concentrated in 37.5μm particle size while small fluctuations are observed in the other particle size cuts.In the chemical treatment, many factors were studied to determine the best conditions for leaching process; type of solvent (HNO 3 , HCl, C 2 H 4 O 2 , H 2 SO 4 , NaOH, H 2 O), acid concentration (3, 5, 7, 10 M) , liquid to solid ratio(L:S) (3, 5, 7, 9, 18, 30 ml/g), temperature ( 28, 40, 60,78°C), and number of stages. Results indicate that only small portions of radium are present on the surface of soil particles, while most radium located within soil particles. Concentrated nitric acid (5M) was found to be the most effective solvent using two stages with L:S ratio of 9 ml/g at a temperature of 60 Co. At

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

    International Nuclear Information System (INIS)

    Bacon, Dave

    2006-01-01

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

  4. Investigating the chemical and morphological evolution of GaAs capped InAs/InP quantum dots emitting at 1.5μm using aberration-corrected scanning transmission electron microscopy

    DEFF Research Database (Denmark)

    Kadkhodazadeh, Shima; Semenova, Elizaveta; Yvind, Kresten

    2011-01-01

    The emission wavelength of InAs quantum dots grown on InP has been shown to shift to the technologically desirable 1.5μm with the deposition of 1–2 monolayers of GaAs on top of the quantum dots. Here, we use aberration-corrected scanning transmission electron microscopy to investigate morphological...... and compositional changes occurring to the quantum dots as a result of the deposition of 1.7 monolayers of GaAs on top of them, prior to complete overgrowth with InP. The results are compared with theoretical models describing the overgrowth process....

  5. Role of natural gas in the chemical-process industry: Implications for the future. Volume 1. Final report, January 1989-June 1990

    Energy Technology Data Exchange (ETDEWEB)

    Kesler, M.L.; Ex, B.

    1990-12-01

    The study examines the historical and current use of natural gas in SIC 28 and predicts the future of natural gas consumption and the factors that can cause gas usage to change over the period of the GRI Baseline. The study assesses how future economic, technological, and regulatory events may effect the use of natural gas in SIC 28. The information provides an information data base to enhance GRI's R and D planning efforts by highlighting emerging issues and identifying areas whereby gas-based technology can seize advantage of an opportunity or mitigate a risk.

  6. Role of natural gas in the chemical process industry: Implications for the future. Volume 2, appendices. Final report, January 1989-June 1990

    Energy Technology Data Exchange (ETDEWEB)

    Kesler, M.L.; Ex, B.

    1990-12-01

    The study examines the historical and current use of natural gas in SIC 28 and predicts the future of natural gas consumption and the factors that can cause gas usage to change over the period of the GRI Baseline. The study assesses how future economic, technological, and regulatory events may effect the use of natural gas in SIC 28. The information provides an information data base to enhance GRI's R and D planning efforts by highlighting emerging issues and identifying areas whereby gas-based technology can seize advantage of an opportunity or mitigate a risk.

  7. Effect of natural Bayah zeolite particle size reduction to physico-chemical properties and absortion against potassium permanganate (KMnO4)

    Science.gov (United States)

    Widayanti, Siti Mariana; Syamsu, Khaswar; Warsiki, Endang; Yuliani, Sri

    2016-02-01

    Recently, researches on nanotechnology have been developed very rapid, as well as the utilization of nano-zeolites. Nano-sized material has several advantages which are expanding absorptive surfaces so it will enhance the material absorption and shorten the absorption time. Zeolite as a KMnO4 binder, has been widely recognized for its ability to extend the shelf life of vegetables and fruits. This study was conducted to determine zeolites physico-chemical characters from different particle size and the effect on KMnO4 absorption. Potassium permanganate (KMnO4) is a strong oxidizer for reducing the quantity of ethylene in storage process of fresh horticultural products. The treatment consisted of (1) different length of milling time (10, 20, 30, 40, and 60 minutes) and (2) the duration of chemical activation with 1 N KOH solution. Physical and chemical characters of zeolite were analyzed using BET, PSA, XRD and SEM. The research design was randomized design. The result implied that milling time was significantly affecting the zeolite particle size, material surface area, and the size of pore diameter and volume. Milling treatment for 40 minutes produced higher zeolite surface area and pore volume than other treatments. While the duration of chemical activation using 1 N KOH solution gives different effect on zeolite absorption to KMnO4 solution. Milling time for 60 minutes and activated for 48 hours has higher initial adsorption than other treatments.

  8. The Nature of the Interplay among Components of Pedagogical Content Knowledge in Reaction Rate and Chemical Equilibrium Topics of Novice and Experienced Chemistry Teachers

    Science.gov (United States)

    Akin, Fatma Nur; Uzuntiryaki-Kondakci, Esen

    2018-01-01

    We examined the interactions among pedagogical content knowledge (PCK) components of novice and experienced chemistry teachers in teaching reaction rate and chemical equilibrium topics in this qualitative multiple-case design study. For this aim, three chemistry teachers who had different levels of teaching experience in chemistry teaching were…

  9. New developments in EPMA correction procedures

    International Nuclear Information System (INIS)

    Love, G.; Scott, V.D.

    1980-01-01

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

  10. Correction of Neonatal Hypovolemia

    Directory of Open Access Journals (Sweden)

    V. V. Moskalev

    2007-01-01

    Full Text Available Objective: to evaluate the efficiency of hydroxyethyl starch solution (6% refortane, Berlin-Chemie versus fresh frozen plasma used to correct neonatal hypovolemia.Materials and methods. In 12 neonatal infants with hypoco-agulation, hypovolemia was corrected with fresh frozen plasma (10 ml/kg body weight. In 13 neonates, it was corrected with 6% refortane infusion in a dose of 10 ml/kg. Doppler echocardiography was used to study central hemodynamic parameters and Doppler study was employed to examine regional blood flow in the anterior cerebral and renal arteries.Results. Infusion of 6% refortane and fresh frozen plasma at a rate of 10 ml/hour during an hour was found to normalize the parameters of central hemodynamics and regional blood flow.Conclusion. Comparative analysis of the findings suggests that 6% refortane is the drug of choice in correcting neonatal hypovolemia. Fresh frozen plasma should be infused in hemostatic disorders. 

  11. Corrective Jaw Surgery

    Medline Plus

    Full Text Available ... surgery. It is important to understand that your treatment, which will probably include orthodontics before and after ... to realistically estimate the time required for your treatment. Correction of Common Dentofacial Deformities ​ ​ The information provided ...

  12. Corrective Jaw Surgery

    Medline Plus

    Full Text Available ... misalignment of jaws and teeth. Surgery can improve chewing, speaking and breathing. While the patient's appearance may ... indicate the need for corrective jaw surgery: Difficulty chewing, or biting food Difficulty swallowing Chronic jaw or ...

  13. Corrective Jaw Surgery

    Medline Plus

    Full Text Available ... It can also invite bacteria that lead to gum disease. Click here to find out more. Who We ... It can also invite bacteria that lead to gum disease. Click here to find out more. Corrective Jaw ...

  14. Corrective Jaw Surgery

    Medline Plus

    Full Text Available ... is performed by an oral and maxillofacial surgeon (OMS) to correct a wide range of minor and ... when sleeping, including snoring) Your dentist, orthodontist and OMS will work together to determine whether you are ...

  15. Large Nc QCD at nonzero chemical potential

    International Nuclear Information System (INIS)

    Cohen, Thomas D.

    2004-01-01

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

  16. Chemical Peels

    Science.gov (United States)

    ... care Kids’ zone Video library Find a dermatologist Chemical peels Overview Chemical peels: Overview Also called chemexfoliation , derma peeling Do ... Overview Chemical peels: FAQs Chemical peels: Preparation FAQs Chemical peels: FAQs To help you decide whether this ...

  17. Mineralogical, chemical and K-Ar isotopic changes in Kreyenhagen Shale whole rocks and <2 µm clay fractions during natural burial and hydrous-pyrolysis experimental maturation

    Science.gov (United States)

    Clauer, Norbert; Lewan, Michael D.; Dolan, Michael P.; Chaudhuri, Sambhudas; Curtis, John B.

    2014-01-01

    Progressive maturation of the Eocene Kreyenhagen Shale from the San Joaquin Basin of California was studied by combining mineralogical and chemical analyses with K–Ar dating of whole rocks and sequence, indicating that there is no detectable variation in the crystallo-chemical organization of the K-bearing alumino-silicates with depth. No supply of K from outside of the rock volumes occurred, which indicates a closed-system behavior for it. Conversely, the content of the total organic carbon (TOC) content decreases significantly with burial, based on the progressive increasing Al/TOC ratio of the whole rocks. The initial varied mineralogy and chemistry of the rocks and their <2 μm fractions resulting from differences in detrital sources and depositional settings give scattered results that homogenize progressively during burial due to increased authigenesis, and concomitant increased alteration of the detrital material.

  18. Cultivated strains of Agaricus bisporus and A. brasiliensis: chemical characterization and evaluation of antioxidant and antimicrobial properties for final healthy product - natural preservatives in yoghurt

    OpenAIRE

    Stojković, Dejan; Reis, Filipa S.; Glamočlija, Jasmina; Ćirić, Ana; Barros, Lillian; Van Griensven, Leo J.L.D.; Ferreira, Isabel C.F.R.; Soković, Marina

    2014-01-01

    Agaricus bisporus (J. E. Lange) Emil J. Imbach and Agaricus brasiliensis Wasser, M. Didukh, Amazonas & Stamets are edible mushrooms. We chemically characterized these mushrooms for nutritional value, hydrophilic and lipophilic compounds. The antioxidant and antimicrobial activities of methanolic and ethanolic extracts were assessed. Hepatotoxicity was also evaluated. The ethanolic extract of both species was tested for inhibition of Listeria monocytogenes growth in yoghurt. Both s...

  19. Antimycobacterial natural products from Moroccan medicinal plants: Chemical composition, bacteriostatic and bactericidal profile of Thymus satureioides and Mentha pulegium essential oils

    Directory of Open Access Journals (Sweden)

    Marwa Chraibi

    2016-10-01

    Conclusions: It is clearly evident from the results obtained that the Moroccan medicinal plants have great potential to be used as anti-tuberculosis agents. These findings may help scientists to undertake several research projects to discover useful natural product as new anti-tuberculosis drug.

  20. Lowering temperature to increase chemical oxidation efficiency: the effect of temperature on permanganate oxidation rates of five types of well defined organic matter, two natural soils, and three pure phase products.

    Science.gov (United States)

    de Weert, J P A; Keijzer, T J S; van Gaans, P F M

    2014-12-01

    In situ chemical oxidation (ISCO) is a soil remediation technique to remove organic pollutants from soil and groundwater with oxidants, like KMnO4. However, also natural organic compounds in soils are being oxidized, which makes the technique less efficient. Laboratory experiments were performed to investigate the influence of temperature on this efficiency, through its effect on the relative oxidation rates - by permanganate - of natural organic compounds and organic pollutants at 16 and 15°C. Specific types of organic matter used were cellulose, oak wood, anthracite, reed - and forest peat, in addition to two natural soils. Dense Non-Aqueous Phase Liquid-tetrachloroethene (DNAPL-PCE), DNAPL trichloroethene (DNAPL-TCE) and a mixture of DNAPL-PCE, -TCE and -hexachlorobutadiene were tested as pollutants. Compared to 16°C, oxidation was slower at 5°C for the specific types of organic matter and the natural soils, with exception of anthracite, which was unreactive. The oxidation rate of DNAPL TCE was lower at 5°C too. However, at this temperature oxidation was fast, implying that no competitive loss to natural organic compounds will be expected in field applications by lowering temperature. Oxidation of DNAPL-PCE and PCE in the mixture proceeded at equal rates at both temperatures, due to the dissolution rate as limiting factor. These results show that applying permanganate ISCO to DNAPL contamination at lower temperatures will limit the oxidation of natural organic matter, without substantially affecting the oxidation rate of the contaminant. This will make such remediation more effective and sustainable in view of protecting natural soil quality. Copyright © 2014 Elsevier Ltd. All rights reserved.

  1. Agenesia isolada da artéria pulmonar direita ou esquerda: avaliação da evolução natural e a longo prazo, após intervenção corretiva Isolated unilateral pulmonary artery agenesis: evaluation of natural and long term evolution after corrective surgery

    Directory of Open Access Journals (Sweden)

    Edmar Atik

    2006-10-01

    hemoptysis in adults. Interventions such as pulmonary artery reconstruction and lobectomies were performed in 17% of the cases. We analyzed four of these cases, two in natural evolution and two with late term PH regression after surgical correction. METHODS: Three 22,10 and 35 month old male children and one 20 month old female child were included in the study. The 22 month old presented right-sided heart failure (RHF and cyanosis; the 10 month old presented RHF and the other two presented exertion fatigue. All had PH symptoms, right ventricular strain on the EKG and cardiomegaly. Cardiac catheterization showed systemic pressures in the contralateral pulmonary artery, with right-sided agenesis in three of the children and left-sided agenesis in one child. RESULTS: Surgical correction of pulmonary artery continuity was possible in the 22 month old and 10 month old using a 7mm diameter Goretex conduit between the pulmonary arteries up to the hypoplastic contralateral pulmonary hilum. There was early and late regression of the PH signs and the children remained stable during follow-up to the ages of 7 and 2.5 years, respectively. The pressure ratio between the left and right ventricles was 30 and 40%, in both cases. Pulmonary perfusion increased from 8 to 44% and from 8 to 23%, in the two cases. The same procedure was scheduled for the other patients. CONCLUSION: This technique has become the operation of choice for similar cases, that are rarely described in literature, even in the presence of severe PH and contralateral pulmonary artery hypoplasia.

  2. Genetic and Chemical Correction of Cholesterol Accumulation and Impaired Autophagy in Hepatic and Neural Cells Derived from Niemann-Pick Type C Patient-Specific iPS Cells

    Directory of Open Access Journals (Sweden)

    Dorothea Maetzel

    2014-06-01

    Full Text Available Niemann-Pick type C (NPC disease is a fatal inherited lipid storage disorder causing severe neurodegeneration and liver dysfunction with only limited treatment options for patients. Loss of NPC1 function causes defects in cholesterol metabolism and has recently been implicated in deregulation of autophagy. Here, we report the generation of isogenic pairs of NPC patient-specific induced pluripotent stem cells (iPSCs using transcription activator-like effector nucleases (TALENs. We observed decreased cell viability, cholesterol accumulation, and dysfunctional autophagic flux in NPC1-deficient human hepatic and neural cells. Genetic correction of a disease-causing mutation rescued these defects and directly linked NPC1 protein function to impaired cholesterol metabolism and autophagy. Screening for autophagy-inducing compounds in disease-affected human cells showed cell type specificity. Carbamazepine was found to be cytoprotective and effective in restoring the autophagy defects in both NPC1-deficient hepatic and neuronal cells and therefore may be a promising treatment option with overall benefit for NPC disease.

  3. MNAtoolbox: A Monitored Natural Attenuation Site Screening Program

    Energy Technology Data Exchange (ETDEWEB)

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

    1999-07-12

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

  4. Robust Active Label Correction

    DEFF Research Database (Denmark)

    Kremer, Jan; Sha, Fei; Igel, Christian

    2018-01-01

    for the noisy data lead to different active label correction algorithms. If loss functions consider the label noise rates, these rates are estimated during learning, where importance weighting compensates for the sampling bias. We show empirically that viewing the true label as a latent variable and computing......Active label correction addresses the problem of learning from input data for which noisy labels are available (e.g., from imprecise measurements or crowd-sourcing) and each true label can be obtained at a significant cost (e.g., through additional measurements or human experts). To minimize......). To select labels for correction, we adopt the active learning strategy of maximizing the expected model change. We consider the change in regularized empirical risk functionals that use different pointwise loss functions for patterns with noisy and true labels, respectively. Different loss functions...

  5. Generalised Batho correction factor

    International Nuclear Information System (INIS)

    Siddon, R.L.

    1984-01-01

    There are various approximate algorithms available to calculate the radiation dose in the presence of a heterogeneous medium. The Webb and Fox product over layers formulation of the generalised Batho correction factor requires determination of the number of layers and the layer densities for each ray path. It has been shown that the Webb and Fox expression is inefficient for the heterogeneous medium which is expressed as regions of inhomogeneity rather than layers. The inefficiency of the layer formulation is identified as the repeated problem of determining for each ray path which inhomogeneity region corresponds to a particular layer. It has been shown that the formulation of the Batho correction factor as a product over inhomogeneity regions avoids that topological problem entirely. The formulation in terms of a product over regions simplifies the computer code and reduces the time required to calculate the Batho correction factor for the general heterogeneous medium. (U.K.)

  6. THE SECONDARY EXTINCTION CORRECTION

    Energy Technology Data Exchange (ETDEWEB)

    Zachariasen, W. H.

    1963-03-15

    It is shown that Darwin's formula for the secondary extinction correction, which has been universally accepted and extensively used, contains an appreciable error in the x-ray diffraction case. The correct formula is derived. As a first order correction for secondary extinction, Darwin showed that one should use an effective absorption coefficient mu + gQ where an unpolarized incident beam is presumed. The new derivation shows that the effective absorption coefficient is mu + 2gQ(1 + cos/sup 4/2 theta )/(1 plus or minus cos/sup 2/2 theta )/s up 2/, which gives mu + gQ at theta =0 deg and theta = 90 deg , but mu + 2gQ at theta = 45 deg . Darwin's theory remains valid when applied to neutron diffraction. (auth)

  7. Bryant J. correction formula

    International Nuclear Information System (INIS)

    Tejera R, A.; Cortes P, A.; Becerril V, A.

    1990-03-01

    For the practical application of the method proposed by J. Bryant, the authors carried out a series of small corrections, related with the bottom, the dead time of the detectors and channels, with the resolution time of the coincidences, with the accidental coincidences, with the decay scheme and with the gamma efficiency of the beta detector beta and the beta efficiency beta of the gamma detector. The calculation of the correction formula is presented in the development of the present report, being presented 25 combinations of the probability of the first existent state at once of one disintegration and the second state at once of the following disintegration. (Author)

  8. Model Correction Factor Method

    DEFF Research Database (Denmark)

    Christensen, Claus; Randrup-Thomsen, Søren; Morsing Johannesen, Johannes

    1997-01-01

    The model correction factor method is proposed as an alternative to traditional polynomial based response surface techniques in structural reliability considering a computationally time consuming limit state procedure as a 'black box'. The class of polynomial functions is replaced by a limit...... of the model correction factor method, is that in simpler form not using gradient information on the original limit state function or only using this information once, a drastic reduction of the number of limit state evaluation is obtained together with good approximations on the reliability. Methods...

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

    International Nuclear Information System (INIS)

    Boehlecke, Robert F.

    2005-01-01

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

  10. Cultivated strains of Agaricus bisporus and A. brasiliensis: chemical characterization and evaluation of antioxidant and antimicrobial properties for the final healthy product--natural preservatives in yoghurt.

    Science.gov (United States)

    Stojković, Dejan; Reis, Filipa S; Glamočlija, Jasmina; Ćirić, Ana; Barros, Lillian; Van Griensven, Leo J L D; Ferreira, Isabel C F R; Soković, Marina

    2014-07-25

    Agaricus bisporus (J. E. Lange) Emil J. Imbach and Agaricus brasiliensis Wasser, M. Didukh, Amazonas & Stamets are edible mushrooms. We chemically characterized these mushrooms for nutritional value, hydrophilic and lipophilic compounds. The antioxidant and antimicrobial activities of methanolic and ethanolic extracts were assessed. Hepatotoxicity was also evaluated. The ethanolic extract of both species was tested for inhibition of Listeria monocytogenes growth in yoghurt. Both species proved to be a good source of bioactive compounds. A. brasiliensis was richer in polyunsaturated fatty acids and revealed the highest concentration of phenolic acids, and tocopherols. A. bisporus showed the highest monounsaturated fatty acids and ergosterol contents. A. brasiliensis revealed the highest antioxidant potential, and its ethanolic extract displayed the highest antibacterial potential; the methanolic extract of A. bisporus revealed the highest antifungal activity. A. brasiliensis possessed better preserving properties in yoghurt.

  11. Attenuation correction for SPECT

    International Nuclear Information System (INIS)

    Hosoba, Minoru

    1986-01-01

    Attenuation correction is required for the reconstruction of a quantitative SPECT image. A new method for detecting body contours, which are important for the correction of tissue attenuation, is presented. The effect of body contours, detected by the newly developed method, on the reconstructed images was evaluated using various techniques for attenuation correction. The count rates in the specified region of interest in the phantom image by the Radial Post Correction (RPC) method, the Weighted Back Projection (WBP) method, Chang's method were strongly affected by the accuracy of the contours, as compared to those by Sorenson's method. To evaluate the effect of non-uniform attenuators on the cardiac SPECT, computer simulation experiments were performed using two types of models, the uniform attenuator model (UAM) and the non-uniform attenuator model (NUAM). The RPC method showed the lowest relative percent error (%ERROR) in UAM (11 %). However, 20 to 30 percent increase in %ERROR was observed for NUAM reconstructed with the RPC, WBP, and Chang's methods. Introducing an average attenuation coefficient (0.12/cm for Tc-99m and 0.14/cm for Tl-201) in the RPC method decreased %ERROR to the levels for UAM. Finally, a comparison between images, which were obtained by 180 deg and 360 deg scans and reconstructed from the RPC method, showed that the degree of the distortion of the contour of the simulated ventricles in the 180 deg scan was 15 % higher than that in the 360 deg scan. (Namekawa, K.)

  12. Text Induced Spelling Correction

    NARCIS (Netherlands)

    Reynaert, M.W.C.

    2004-01-01

    We present TISC, a language-independent and context-sensitive spelling checking and correction system designed to facilitate the automatic removal of non-word spelling errors in large corpora. Its lexicon is derived from a very large corpus of raw text, without supervision, and contains word

  13. Ballistic deficit correction

    International Nuclear Information System (INIS)

    Duchene, G.; Moszynski, M.; Curien, D.

    1991-01-01

    The EUROGAM data-acquisition has to handle a large number of events/s. Typical in-beam experiments using heavy-ion fusion reactions assume the production of about 50 000 compound nuclei per second deexciting via particle and γ-ray emissions. The very powerful γ-ray detection of EUROGAM is expected to produce high-fold event rates as large as 10 4 events/s. Such high count rates introduce, in a common dead time mode, large dead times for the whole system associated with the processing of the pulse, its digitization and its readout (from the preamplifier pulse up to the readout of the information). In order to minimize the dead time the shaping time constant τ, usually about 3 μs for large volume Ge detectors has to be reduced. Smaller shaping times, however, will adversely affect the energy resolution due to ballistic deficit. One possible solution is to operate the linear amplifier, with a somewhat smaller shaping time constant (in the present case we choose τ = 1.5 μs), in combination with a ballistic deficit compensator. The ballistic deficit can be corrected in different ways using a Gated Integrator, a hardware correction or even a software correction. In this paper we present a comparative study of the software and hardware corrections as well as gated integration

  14. Correctness of concurrent processes

    NARCIS (Netherlands)

    E.R. Olderog (Ernst-Rüdiger)

    1989-01-01

    textabstractA new notion of correctness for concurrent processes is introduced and investigated. It is a relationship P sat S between process terms P built up from operators of CCS [Mi 80], CSP [Ho 85] and COSY [LTS 79] and logical formulas S specifying sets of finite communication sequences as in

  15. Error Correcting Codes -34 ...

    Indian Academy of Sciences (India)

    information and coding theory. A large scale relay computer had failed to deliver the expected results due to a hardware fault. Hamming, one of the active proponents of computer usage, was determined to find an efficient means by which computers could detect and correct their own faults. A mathematician by train-.

  16. Measured attenuation correction methods

    International Nuclear Information System (INIS)

    Ostertag, H.; Kuebler, W.K.; Doll, J.; Lorenz, W.J.

    1989-01-01

    Accurate attenuation correction is a prerequisite for the determination of exact local radioactivity concentrations in positron emission tomography. Attenuation correction factors range from 4-5 in brain studies to 50-100 in whole body measurements. This report gives an overview of the different methods of determining the attenuation correction factors by transmission measurements using an external positron emitting source. The long-lived generator nuclide 68 Ge/ 68 Ga is commonly used for this purpose. The additional patient dose from the transmission source is usually a small fraction of the dose due to the subsequent emission measurement. Ring-shaped transmission sources as well as rotating point or line sources are employed in modern positron tomographs. By masking a rotating line or point source, random and scattered events in the transmission scans can be effectively suppressed. The problems of measured attenuation correction are discussed: Transmission/emission mismatch, random and scattered event contamination, counting statistics, transmission/emission scatter compensation, transmission scan after administration of activity to the patient. By using a double masking technique simultaneous emission and transmission scans become feasible. (orig.)

  17. Corrective Jaw Surgery

    Medline Plus

    Full Text Available ... their surgery, orthognathic surgery is performed to correct functional problems. Jaw Surgery can have a dramatic effect on many aspects of life. Following are some of the conditions that may ... front, or side Facial injury Birth defects Receding lower jaw and ...

  18. Error Correcting Codes

    Indian Academy of Sciences (India)

    successful consumer products of all time - the Compact Disc. (CD) digital audio .... We can make ... only 2 t additional parity check symbols are required, to be able to correct t .... display information (contah'ling music related data and a table.

  19. Error Correcting Codes

    Indian Academy of Sciences (India)

    Science and Automation at ... the Reed-Solomon code contained 223 bytes of data, (a byte ... then you have a data storage system with error correction, that ..... practical codes, storing such a table is infeasible, as it is generally too large.

  20. Error Correcting Codes

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 2; Issue 3. Error Correcting Codes - Reed Solomon Codes. Priti Shankar. Series Article Volume 2 Issue 3 March ... Author Affiliations. Priti Shankar1. Department of Computer Science and Automation, Indian Institute of Science, Bangalore 560 012, India ...

  1. 10. Correctness of Programs

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 3; Issue 4. Algorithms - Correctness of Programs. R K Shyamasundar. Series Article Volume 3 ... Author Affiliations. R K Shyamasundar1. Computer Science Group, Tata Institute of Fundamental Research, Homi Bhabha Road, Mumbai 400 005, India.

  2. Type I allergy to natural rubber latex and type IV allergy to rubber chemicals in health care workers with glove-related skin symptoms.

    Science.gov (United States)

    Nettis, E; Assennato, G; Ferrannini, A; Tursi, A

    2002-03-01

    It has been established that there are type I and type IV allergens in latex gloves. The purpose of the study was to establish the prevalence of rubber glove-induced skin symptoms among health care workers in one Italian hospital. Health care workers (n = 1584) were evaluated using a written questionnaire and 295 respondents with glove-induced skin symptoms were tested. We performed: skin prick test with latex glove extract and commercial latex, and environmental and food allergens; glove use test; patch tests with a rubber additive series; and RASTs. Hospital employees who used or had used latex gloves at work were 1294. Three hundred and sixteen (24.4%) reported glove-induced symptoms, namely, cutaneous symptoms in all the cases and non-cutaneous symptoms in 105 subjects (8.1%). Twenty-seven of the 295 symptomatic employees tested (9.1%) were latex sensitive. Thirty-one patients (10.5%) exhibited positive patch test to rubber-related allergens. The most positive readings were obtained from the Thiuram mix and the Carba mix, with 12 and 9 positivities, respectively. The risk factors for latex skin sensitization were: a previous history of atopy and asthma; history of surgery; pre-existing hand dermatitis; work-related symptoms; and positive skin tests to common inhalant and certain foods (P skin complaints of latex gloves are related to skin irritation rather than to allergy. The immediate allergy to latex and the delayed allergy to rubber chemicals suggest that all the health care workers with glove-related dermatitis should undergo both skin prick test and glove use test to detect type I hypersensitivity to latex, and patch test to detect type IV hypersensitivity to rubber chemicals.

  3. Variation of Chemical Composition in Flowers and Leaves Essential Oils Among Natural Population of Tunisian Glebionis coronaria (L.) Tzvelev (Asteraceae).

    Science.gov (United States)

    Haouas, Dalila; Cioni, Pier Luigi; Flamini, Guido; Ben Halima-Kamel, Monia; Ben Hamouda, Mohamed Habib

    2016-10-01

    The aim of this study was to assess the percentage and constituents variations in flowers and leaves essential oil of three Glebionis coronaria (L.) Tzvelev population, growing wildly in three different ecotypes (Utique, M'saken, and Sahara Lektar) in Tunisia. The chemical compositions of these essential oils were analyzed by the GC and GC/MS systems. Qualitative and quantitative differences were recorded between essential oils extracted from plants collected from the three geographical provinces and between organs of the same plant (leaves and flowers). In fact, 161 components representing 87.2 - 96.5% of the whole oils were identified. Myrcene (3.2 - 35.7%), (Z)-β-ocimene (0.6 - 23.0%), camphor (0.6 - 17.2%), cis-chrysanthenol (0 - 6.9%), cis-chrysanthenyl acetate (1.1 - 17.9%), isobornyl acetate (1.6 - 3.5%), (E)-β-farnesene (0 - 6.0%), germacrene D (0 - 8.7%), and (E,E)-α-farnesene (0.7 - 12.4%) were the predominant components in the oils. These major constituents occur in different amounts depending on the organs (leaves or flowers) and the geographical origin of the plant. The chemotaxonomic usefulness of these data was discussed according to results of principal component analysis (PCA). The scores, together with the loadings, revealed a different chemical pattern for each population. © 2016 Wiley-VHCA AG, Zürich.

  4. Chemical Emergencies

    Science.gov (United States)

    When a hazardous chemical has been released, it may harm people's health. Chemical releases can be unintentional, as in the case of an ... the case of a terrorist attack with a chemical weapon. Some hazardous chemicals have been developed by ...

  5. Deciphering the "chemical" nature of the exotic isotopes of hydrogen by the MC-QTAIM analysis: the positively charged muon and the muonic helium as new members of the periodic table.

    Science.gov (United States)

    Goli, Mohammad; Shahbazian, Shant

    2014-04-14

    This report is a primarily survey on the chemical nature of some exotic species containing the positively charged muon and the muonic helium, i.e., the negatively charged muon plus helium nucleus, as exotic isotopes of hydrogen, using the newly developed multi-component quantum theory of atoms in molecules (MC-QTAIM) analysis, employing ab initio non-Born-Oppenhiemer wavefunctions. Accordingly, the "atoms in molecules" analysis performed on various asymmetric exotic isotopomers of the hydrogen molecule, recently detected experimentally [Science, 2011, 331, 448], demonstrates that both the exotic isotopes are capable of forming atoms in molecules and retaining the identity of hydrogen atoms. Various derived properties of atomic basins containing the muonic helium cast no doubt that apart from its short life time, it is a heavier isotope of hydrogen while the properties of basins containing the positively charged muon are more remote from those of the orthodox hydrogen basins, capable of appreciable donation of electrons as well as large charge polarization. However, with some tolerance, they may also be categorized as hydrogen basins though with a smaller electronegativity. All in all, the present study also clearly demonstrates that the MC-QTAIM analysis is an efficient approach to decipher the chemical nature of species containing exotic constituents, which are difficult to elucidate by experimental and/or alternative theoretical schemes.

  6. Accumulation of Dechlorane Plus flame retardant in terrestrial passerines from a nature reserve in South China: The influences of biological and chemical variables

    Energy Technology Data Exchange (ETDEWEB)

    Peng, Ying [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Wu, Jiang-Ping, E-mail: jpwu@gig.ac.cn [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Tao, Lin [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Mo, Ling [Hainan Research Academy of Environmental Sciences, Haikou 571126 (China); Zheng, Xiao-Bo; Tang, Bin [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); University of the Chinese Academy of Sciences, Beijing 100049 (China); Luo, Xiao-Jun; Mai, Bi-Xian [State Key Laboratory of Organic Geochemistry, Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China)

    2015-05-01

    Although a number of studies have addressed the bioaccumulation of Dechlorane Plus (DP) flame retardant in wildlife, few data are available on terrestrial organisms. This study examined the presence of DP isomers in the muscle tissue of seven terrestrial resident passerine species, i.e., the great tit (Parus major), the oriental magpie-robin (Copsychus saularis), the red-whiskered bulbul (Pycnonotus jocosus), the light-vented bulbul (Pycnonotus sinensis), the streak-breasted scimitar babbler (Pomatorhinus ruficollis), the long-tailed shrike (Lanius schach), and the orange-headed thrush (Zoothera citrina), from a national nature reserve located in South China. The ∑DP (sum of syn-DP and anti-DP) concentrations ranged from 1.2 to 104 ng/g lipid weight, with significantly higher levels in insectivorous birds than in omnivorous birds. The overall exposure to DP isomers of the current passerines may be attributed to the intensive release of this pollutant from electronic waste recycling sites and industrial zones in the vicinity of the nature reserve. Species-specific DP isomeric profiles were also found, with significantly greater f{sub anti} values (the isomer fractions of anti-DP) in the red-whiskered bulbul and the oriental magpie-robin. Additionally, the f{sub anti} values were significantly negatively correlated to ∑DP concentrations for the individual bird samples, suggesting the influence of DP concentrations on the isomeric profiles. - Highlights: • We investigated the occurrence of DP in seven species of terrestrial passerines. • Insectivorous birds accumulated higher ∑DP concentrations than omnivorous birds. • Inter-species differences in the f{sub anti} values were observed. • The f{sub anti} values were significantly correlated to DP concentrations.

  7. Accumulation of Dechlorane Plus flame retardant in terrestrial passerines from a nature reserve in South China: The influences of biological and chemical variables

    International Nuclear Information System (INIS)

    Peng, Ying; Wu, Jiang-Ping; Tao, Lin; Mo, Ling; Zheng, Xiao-Bo; Tang, Bin; Luo, Xiao-Jun; Mai, Bi-Xian

    2015-01-01

    Although a number of studies have addressed the bioaccumulation of Dechlorane Plus (DP) flame retardant in wildlife, few data are available on terrestrial organisms. This study examined the presence of DP isomers in the muscle tissue of seven terrestrial resident passerine species, i.e., the great tit (Parus major), the oriental magpie-robin (Copsychus saularis), the red-whiskered bulbul (Pycnonotus jocosus), the light-vented bulbul (Pycnonotus sinensis), the streak-breasted scimitar babbler (Pomatorhinus ruficollis), the long-tailed shrike (Lanius schach), and the orange-headed thrush (Zoothera citrina), from a national nature reserve located in South China. The ∑DP (sum of syn-DP and anti-DP) concentrations ranged from 1.2 to 104 ng/g lipid weight, with significantly higher levels in insectivorous birds than in omnivorous birds. The overall exposure to DP isomers of the current passerines may be attributed to the intensive release of this pollutant from electronic waste recycling sites and industrial zones in the vicinity of the nature reserve. Species-specific DP isomeric profiles were also found, with significantly greater f anti values (the isomer fractions of anti-DP) in the red-whiskered bulbul and the oriental magpie-robin. Additionally, the f anti values were significantly negatively correlated to ∑DP concentrations for the individual bird samples, suggesting the influence of DP concentrations on the isomeric profiles. - Highlights: • We investigated the occurrence of DP in seven species of terrestrial passerines. • Insectivorous birds accumulated higher ∑DP concentrations than omnivorous birds. • Inter-species differences in the f anti values were observed. • The f anti values were significantly correlated to DP concentrations

  8. A theory for the origin of a self-replicating chemical system. I - Natural selection of the autogen from short, random oligomers

    Science.gov (United States)

    White, D. H.

    1980-01-01

    A general theory is presented for the origin of a self-replicating chemical system, termed an autogen, which is capable of both crude replication and translation (protein synthesis). The theory requires the availability of free energy and monomers to the system, a significant background low-yield synthesis of kinetically stable oligopeptides and oligonucleotides, the localization of the oligomers, crude oligonucleotide selectivity of amino acids during oligopeptide synthesis, crude oligonucleotide replication, and two short peptide families which catalyze replication and translation, to produce a localized group of at least one copy each of two protogenes and two protoenzymes. The model posits a process of random oligomerization, followed by the random nucleation of functional components and the rapid autocatalytic growth of the functioning autogen to macroscopic amounts, to account for the origin of the first self-replicating system. Such a process contains steps of such high probability and short time periods that it is suggested that the emergence of an autogen in a laboratory experiment of reasonable time scale may be possible.

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

    Science.gov (United States)

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

    2017-08-01

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

  10. Correction of refractive errors

    Directory of Open Access Journals (Sweden)

    Vladimir Pfeifer

    2005-10-01

    Full Text Available Background: Spectacles and contact lenses are the most frequently used, the safest and the cheapest way to correct refractive errors. The development of keratorefractive surgery has brought new opportunities for correction of refractive errors in patients who have the need to be less dependent of spectacles or contact lenses. Until recently, RK was the most commonly performed refractive procedure for nearsighted patients.Conclusions: The introduction of excimer laser in refractive surgery has given the new opportunities of remodelling the cornea. The laser energy can be delivered on the stromal surface like in PRK or deeper on the corneal stroma by means of lamellar surgery. In LASIK flap is created with microkeratome in LASEK with ethanol and in epi-LASIK the ultra thin flap is created mechanically.

  11. PS Booster Orbit Correction

    CERN Document Server

    Chanel, M; Rumolo, G; Tomás, R; CERN. Geneva. AB Department

    2008-01-01

    At the end of the 2007 run, orbit measurements were carried out in the 4 rings of the PS Booster (PSB) for different working points and beam energies. The aim of these measurements was to provide the necessary input data for a PSB realignment campaign during the 2007/2008 shutdown. Currently, only very few corrector magnets can be operated reliably in the PSB; therefore the orbit correction has to be achieved by displacing (horizontally and vertically) and/or tilting some of the defocusing quadrupoles (QDs). In this report we first describe the orbit measurements, followed by a detailed explanation of the orbit correction strategy. Results and conclusions are presented in the last section.

  12. Correcting slightly less simple movements

    Directory of Open Access Journals (Sweden)

    M.P. Aivar

    2005-01-01

    results suggest that the whole sequence is treated as one action, which can be corrected if the properties of any of the targets change. The precise nature and timing of the correction depends on how the change influences the task.

  13. Error-correction coding

    Science.gov (United States)

    Hinds, Erold W. (Principal Investigator)

    1996-01-01

    This report describes the progress made towards the completion of a specific task on error-correcting coding. The proposed research consisted of investigating the use of modulation block codes as the inner code of a concatenated coding system in order to improve the overall space link communications performance. The study proposed to identify and analyze candidate codes that will complement the performance of the overall coding system which uses the interleaved RS (255,223) code as the outer code.

  14. 'Pharmaceutical and chemical personal care products determination in natural and residual waters; Determinaciond e farmacos y productos quimicos de cuidado personal (PPcps) en aguas naturales y residuales

    Energy Technology Data Exchange (ETDEWEB)

    Jordi, R.; Gomez, M.; Vazquez, M. J.

    2004-07-01

    A quantitative, selected and sensitive method on liquid-liquid extraction (LLE)coupled to analysis by gas chromatography/mass spectrometry (GC/MS) is described for analysis of a selected group of chemicals compounds used as pharmaceuticals and personal care products (PPcPs). They are considered as persistent-emergent pollutants in natural and residual waters. The studied PPCPs- ibuprofen, diclofenac, benzafibrate, diazepan, carbamazepine, galaxolide, tonalide, celestolide, traseolide and cashmeran-are representative for three categories of PPCPs: acids and neutrals pahrmaceuticals and polycyclic synthetic musk, all of them with wide use. The effectiveness of the proposed method was higher than 90% in three different matrix, quantification limits, were at order of ng/L range. The estimated uncertainty was about 23% for all compounds. to asses the performance of the method, natural and wastewaters were analyzed. the obtained results showed that galaxolide, tonalide, ibuprofen, benzafibrate are the most frequently PPCP identified in these waters. Currently, concentrations found in the wastewater are ten times higher than those found in natural waters. No PPCP or very low concentrations were found in the tap water samples analyzed. (Author) 13 refs.

  15. Chemical Analysis of Reaction Rims on Olivine Crystals in Natural Samples of Black Dacite Using Energy-Dispersive X-Ray Spectroscopy, Lassen Peak, CA.

    Science.gov (United States)

    Graham, N. A.

    2014-12-01

    Lassen Volcanic Center is the southernmost volcanic region in the Cascade volcanic arc formed by the Cascadia Subduction Zone. Lassen Peak last erupted in 1915 in an arc related event producing a black dacite material containing xenocrystic olivine grains with apparent orthopyroxene reaction rims. The reaction rims on these olivine grains are believed to have formed by reactions that ensued from a mixing/mingling event that occurred prior to eruption between the admixed mafic andesitic magma and a silicic dacite host material. Natural samples of the 1915 black dacite from Lassen Peak, CA were prepared into 15 polished thin sections and carbon coated for analysis using a FEI Quanta 250 Scanning Electron Microscope (SEM) to identify and measure mineral textures and disequilibrium reaction rims. Observed mineralogical textures related to magma mixing include biotite and amphibole grains with apparent dehydration/breakdown rims, pyroxene-rimmed quartz grains, high concentration of microlites in glass matrix, and pyroxene/amphibole reaction rims on olivine grains. Olivine dissolution is evidenced as increased iron concentration toward convolute edges of olivine grains as observed by Backscatter Electron (BSE) imagery and elemental mapping using NSS spectral imaging software. In an attempt to quantify the area of reaction rim growth on olivine grains within these samples, high-resolution BSE images of 30 different olivine grains were collected along with Energy-Dispersive X-Ray Spectroscopy (EDS) of different phases. Olivine cores and rims were extracted from BSE images using Photoshop and saved as separate image files. ImageJ software was used to calculate the area (μm2) of the core and rim of these grains. Average pyroxene reaction rim width for 30 grains was determined to be 11.68+/-1.65 μm. Rim widths of all 30 grains were averaged together to produce an overall average rim width for the Lassen Peak black dacite. By quantifying the reaction rims on olivine grains

  16. Determination and Correction of Persistent Biases in Quantum Annealers

    Science.gov (United States)

    2016-08-25

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

  17. Effect of different drying techniques on flowability characteristics and chemical properties of natural carbohydrate-protein Gum from durian fruit seed

    Directory of Open Access Journals (Sweden)

    Mirhosseini Hamed

    2013-01-01

    Full Text Available Abstract Background A natural carbohydrate biopolymer was extracted from the agricultural biomass waste (durian seed. Subsequently, the crude biopolymer was purified by using the saturated barium hydroxide to minimize the impurities. Finally, the effect of different drying techniques on the flow characteristics and functional properties of the purified biopolymer was investigated. The present study elucidated the main functional characteristics such as flow characteristics, water- and oil-holding capacity, solubility, and foaming capacity. Results In most cases except for oven drying, the bulk density decreased, thus increasing the porosity. This might be attributed to the increase in the inter-particle voids of smaller sized particles with larger contact surface areas per unit volume. The current study revealed that oven-dried gum and freeze-dried gum had the highest and lowest compressibility index, thus indicating the weakest and strongest flowability among all samples. In the present work, the freeze-dried gum showed the lowest angle of repose, bulk, tapped and true density. This indicates the highest porosity degree of freeze dried gum among dried seed gums. It also exhibited the highest solubility, and foaming capacity thus providing the most desirable functional properties and flow characteristics among all drying techniques. Conclusion The present study revealed that freeze drying among all drying techniques provided the most desirable functional properties and flow characteristics for durian seed gum.

  18. The influence of oscillating electromagnetic fields on membrane structure and function: Synthetic liposome and natural membrane bilayer systems with direct application to the controlled delivery of chemical agents

    International Nuclear Information System (INIS)

    Liburdy, R.P.; de Manincor, D.; Fingado, B.

    1989-09-01

    Investigations have been conducted to determine if an imposed electromagnetic field can influence membrane transport, and ion and drug permeability in both synthetic and natural cell membrane systems. Microwave fields enhance accumulation of sodium in the lymphocyte and induce protein shedding at Tc. Microwaves also trigger membrane permeability of liposome systems under specific field exposure conditions. Sensitivity varies in a defined way in bilayers displaying a membrane structural phase transition temperature, Tc; maximal release was observed at or near Tc. Significantly, liposome systems without a membrane phase transition were also found to experience permeability increases but, in contrast, this response was temperature independent. The above results indicate that field-enhanced drug release occurs in liposome vesicles that possess a Tc as well as non-Tc liposomes. Additional studies extend non-Tc liposome responses to the in vivo case in which microwaves trigger Gentamicin release from a liposome ''depot'' placed subcutaneously in the rat hind leg. In addition, evidence is provided that cell surface sequestered liposomes can be triggered by microwave fields to release drugs directly into target cells. 24 refs., 6 figs

  19. [Determination of the Plant Origin of Licorice Oil Extract, a Natural Food Additive, by Principal Component Analysis Based on Chemical Components].

    Science.gov (United States)

    Tada, Atsuko; Ishizuki, Kyoko; Sugimoto, Naoki; Yoshimatsu, Kayo; Kawahara, Nobuo; Suematsu, Takako; Arifuku, Kazunori; Fukai, Toshio; Tamura, Yukiyoshi; Ohtsuki, Takashi; Tahara, Maiko; Yamazaki, Takeshi; Akiyama, Hiroshi

    2015-01-01

    "Licorice oil extract" (LOE) (antioxidant agent) is described in the notice of Japanese food additive regulations as a material obtained from the roots and/or rhizomes of Glycyrrhiza uralensis, G. inflata or G. glabra. In this study, we aimed to identify the original Glycyrrhiza species of eight food additive products using LC/MS. Glabridin, a characteristic compound in G. glabra, was specifically detected in seven products, and licochalcone A, a characteristic compound in G. inflata, was detected in one product. In addition, Principal Component Analysis (PCA) (a kind of multivariate analysis) using the data of LC/MS or (1)H-NMR analysis was performed. The data of thirty-one samples, including LOE products used as food additives, ethanol extracts of various Glycyrrhiza species and commercially available Glycyrrhiza species-derived products were assessed. Based on the PCA results, the majority of LOE products was confirmed to be derived from G. glabra. This study suggests that PCA using (1)H-NMR analysis data is a simple and useful method to identify the plant species of origin of natural food additive products.

  20. Taking advantage of natural gas for the energy and fuel supply for the Brazilian energy intensive industries: aluminium, siderurgy and chemical products; O aproveitamento do gas natural para o suprimento de energia e combustivel para as industrias energointensivas brasileiras: aluminio, siderurgia e produtos quimicos

    Energy Technology Data Exchange (ETDEWEB)

    Romero, Jose Fernando Leme [Universidade Sao Paulo (USP), SP (Brazil). Programa Interunidades de Pos Graduacao em Energia]. E-mail: romero@iee.usp.br

    2006-07-01

    This work intend to analyse natural gas success in the energy generation for siderurgy industry, aluminium and basic organic chemical products. There is a necessity to inform economy-policy and the energy policy relationship, showing the Brazilian State actuation in the economic development mechanism and electric energy supply. Cast iron and iron, metals and no-irons are considered as electric intensives and energy intensives industry activities. These are sectors that produce merchandises for exportation and spend many quantities of electrical energy for each produced physical unity of law aggregate economic value. (author)

  1. Repeated applications of compost and manure mainly affect the size and chemical nature of particulate organic matter in a loamy soil after 8 years

    Science.gov (United States)

    Peltre, Clement; Dignac, Marie-France; Doublet, Jeremy; Plante, Alain; Houot, Sabine

    2013-04-01

    Land application of exogenous organic matter (EOM) of residual origin can help to maintain or increase soil organic carbon (SOC) stocks. However, it remains necessary to quantify and predict the soil C accumulation and to determine under which form the C accumulates. Changes to the chemical composition of soil organic matter (SOM) after repeated applications of composts and farmyard manure were investigated in a field experiment (Qualiagro experiment, Ile-de-France) after 8 years of applications of green waste and sludge compost (GWS), municipal solid waste compost (MSW), biowaste compost (BIOW) or farmyard manure (FYM). The soil was fractionated into particulate organic matter >50 µm (POM), a heavy fraction >50 µm and a 0-50 µm fraction demineralized with hydrofluoric acid (HF). Repeated EOM applications significantly increased total SOC stocks, the C amount in the POM fraction and to a less extent in the 0-50 µm fraction compared to the reference treatment. Compost applications accumulated C preferentially under the form of coarse organic matter of size >50 µm, whereas the FYM accumulated similar C proportions of size >50 µm and 0-50 µm, which was attributed to the presence in the FYM of a fraction of labile C stimulating microbial activity and producing humified by-products together with a fraction of stabilized C directly alimenting the humified fraction of SOC. Pyrolysis-GC/MS and DRIFT spectroscopy revealed enrichment in lignin in the POM fractions of amended soils with GWS, BIOW and FYM. In the soil receiving MSW compost, the pyrolysate of the POM fraction revealed the presence of plastics originating from the MSW compost. A lower C mineralization during laboratory incubation was found for the POM fractions of amended soils compared with the POM from reference soil. This feature was related to a lower ratio of (furfural+acetic acid) / pyrole pyrolysis products in POM of amended vs. reference plots, indicating a higher degree of recalcitrance.. The POM

  2. The Nature of the Chemical Process. 1. Symmetry Evolution – Revised Information Theory, Similarity Principle and Ugly Symmetry

    Directory of Open Access Journals (Sweden)

    Shu-Kun Lin

    2001-03-01

    Full Text Available Abstract: Symmetry is a measure of indistinguishability. Similarity is a continuous measure of imperfect symmetry. Lewis' remark that “gain of entropy means loss of information” defines the relationship of entropy and information. Three laws of information theory have been proposed. Labeling by introducing nonsymmetry and formatting by introducing symmetry are defined. The function L ( L=lnw, w is the number of microstates, or the sum of entropy and information, L=S+I of the universe is a constant (the first law of information theory. The entropy S of the universe tends toward a maximum (the second law law of information theory. For a perfect symmetric static structure, the information is zero and the static entropy is the maximum (the third law law of information theory. Based on the Gibbs inequality and the second law of the revised information theory we have proved the similarity principle (a continuous higher similarity−higher entropy relation after the rejection of the Gibbs paradox and proved the Curie-Rosen symmetry principle (a higher symmetry−higher stability relation as a special case of the similarity principle. The principles of information minimization and potential energy minimization are compared. Entropy is the degree of symmetry and information is the degree of nonsymmetry. There are two kinds of symmetries: dynamic and static symmetries. Any kind of symmetry will define an entropy and, corresponding to the dynamic and static symmetries, there are static entropy and dynamic entropy. Entropy in thermodynamics is a special kind of dynamic entropy. Any spontaneous process will evolve towards the highest possible symmetry, either dynamic or static or both. Therefore the revised information theory can be applied to characterizing all kinds of structural stability and process spontaneity. Some examples in chemical physics have been given. Spontaneous processes of all kinds of molecular

  3. Agrosearch 2015. Corrected

    African Journals Online (AJOL)

    suitable for use in nematode pest management (Rajapakse, 1990; Atungwu, 2009). Thus, the leaves of Hyptis ... was used for the analysis of the chemical constituents. The dichloromethane (DCM) ... A Gas Chromatography-Mass Spectroscopy (GCMS-QP 2010) PLUS (Shimadzu Japan) system coupled with a finigan MAT ...

  4. Brain Image Motion Correction

    DEFF Research Database (Denmark)

    Jensen, Rasmus Ramsbøl; Benjaminsen, Claus; Larsen, Rasmus

    2015-01-01

    The application of motion tracking is wide, including: industrial production lines, motion interaction in gaming, computer-aided surgery and motion correction in medical brain imaging. Several devices for motion tracking exist using a variety of different methodologies. In order to use such devices...... offset and tracking noise in medical brain imaging. The data are generated from a phantom mounted on a rotary stage and have been collected using a Siemens High Resolution Research Tomograph for positron emission tomography. During acquisition the phantom was tracked with our latest tracking prototype...

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

    International Nuclear Information System (INIS)

    Grant Evenson

    2006-01-01

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

  6. 75 FR 5536 - Pipeline Safety: Control Room Management/Human Factors, Correction

    Science.gov (United States)

    2010-02-03

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

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

    International Nuclear Information System (INIS)

    Parker, J.L.

    1984-08-01

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

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

    International Nuclear Information System (INIS)

    Parker, J.L.

    1986-11-01

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

  9. CTE Corrections for WFPC2 and ACS

    Science.gov (United States)

    Dolphin, Andrew

    2003-07-01

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

  10. Natural Colorants: Food Colorants from Natural Sources.

    Science.gov (United States)

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

    2017-02-28

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

  11. Tensor Networks and Quantum Error Correction

    Science.gov (United States)

    Ferris, Andrew J.; Poulin, David

    2014-07-01

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

  12. Holographic corrections to meson scattering amplitudes

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-06-15

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

  13. Hyphenation of ultra high performance supercritical fluid chromatography with atmospheric pressure chemical ionisation high resolution mass spectrometry: Part 1. Study of the coupling parameters for the analysis of natural non-polar compounds.

    Science.gov (United States)

    Duval, Johanna; Colas, Cyril; Pecher, Virginie; Poujol, Marion; Tranchant, Jean-François; Lesellier, Eric

    2017-08-04

    An analytical method based on Ultra-High-Performance Supercritical Fluid Chromatography (UHPSFC) coupled with Atmospheric Pressure Chemical Ionization - High-resolution mass spectrometry (APCI-Q-TOF-HRMS) was developed for compounds screening from oily samples. The hyphenation was made using a commercial UHPLC device coupled to a CO 2 pump in order to perform the chromatographic analysis. An adaptation of the injection system for compressible fluids was accomplished for this coupling: this modification of the injection sequence was achieved to prevent unusual variations of the injected volume related to the use of a compressible fluid. UHPSFC-HRMS hyphenation was optimized to enhance the response of the varied compounds from a seed extract (anthraquinones, free fatty acids, diacylglycerols, hydroxylated triacylglycerols and triacylglycerols). No split was used prior to the APCI ionization source, allowing introducing all the compounds in the spectrometer, ensuring a better sensitivity for minor compounds. The effects of a mechanical make-up (T-piece) added before this ionization source was discussed in terms of standard deviation of response, response intensity and fragmentation percentage. The location of the T-piece with regards to the backpressure regulator (BPR), the flow rate and the nature of the make-up solvent were studied. Results show that the effects of the studied parameters depend on the nature of the compounds, whereas the make-up addition favours the robustness of the mass response (quantitative aspect). Copyright © 2017 Elsevier B.V. All rights reserved.

  14. RCRA corrective action and closure

    International Nuclear Information System (INIS)

    1995-02-01

    This information brief explains how RCRA corrective action and closure processes affect one another. It examines the similarities and differences between corrective action and closure, regulators' interests in RCRA facilities undergoing closure, and how the need to perform corrective action affects the closure of DOE's permitted facilities and interim status facilities

  15. Rethinking political correctness.

    Science.gov (United States)

    Ely, Robin J; Meyerson, Debra E; Davidson, Martin N

    2006-09-01

    Legal and cultural changes over the past 40 years ushered unprecedented numbers of women and people of color into companies' professional ranks. Laws now protect these traditionally underrepresented groups from blatant forms of discrimination in hiring and promotion. Meanwhile, political correctness has reset the standards for civility and respect in people's day-to-day interactions. Despite this obvious progress, the authors' research has shown that political correctness is a double-edged sword. While it has helped many employees feel unlimited by their race, gender, or religion,the PC rule book can hinder people's ability to develop effective relationships across race, gender, and religious lines. Companies need to equip workers with skills--not rules--for building these relationships. The authors offer the following five principles for healthy resolution of the tensions that commonly arise over difference: Pause to short-circuit the emotion and reflect; connect with others, affirming the importance of relationships; question yourself to identify blind spots and discover what makes you defensive; get genuine support that helps you gain a broader perspective; and shift your mind-set from one that says, "You need to change," to one that asks, "What can I change?" When people treat their cultural differences--and related conflicts and tensions--as opportunities to gain a more accurate view of themselves, one another, and the situation, trust builds and relationships become stronger. Leaders should put aside the PC rule book and instead model and encourage risk taking in the service of building the organization's relational capacity. The benefits will reverberate through every dimension of the company's work.

  16. Non disturbing characterization and quantification of natural organic matter (NOM) contained in clay rock pore water by mass spectrometry using electro-spray and atmospheric pressure chemical ionization modes

    International Nuclear Information System (INIS)

    Huclier-Markai, S.; Landesman, C.; Grambow, B.; Rogniaux, H.; Monteau, F.; Vinsot, A.

    2010-01-01

    Document available in extended abstract form only. The Callovo-Oxfordian formation (COx) rock may contain up to 1% w/w of organic Carbon. Most of the Organic Matter (OM) is attached to the mineral particles whereas a small portion is present as Dissolved Organic Matter (DOM) in the pore water. In environmental studies, Natural Organic Matter (NOM) plays a key role on the bioavailability and the toxicity of metallic compounds. It is necessary to know the structure of any organic substance in order to assess which chemical and biological reactions occur under environmentally relevant conditions. The 150 Myears solid-bound organic matter of the COx (kerogen) has been already investigated in several studies and originates from a mixture of marine and terrestrial sources. In addition to this, the CCl 4 soluble organic fraction (bitumen) has been already characterized by liquid and gas chromatography coupled to mass spectrometry. It allows proportion and distribution of biological markers to be determined as polar compounds with aromatic and saturated hydrocarbons. DOM was extracted from a crushed clay rock of the COx formation with a high rock/water ratio of about 1500 g/L. Part of the OM from the COx is known to be sensitive to air oxidation which can significantly modify the nature of the bitumen by an overall shift towards lower molecular weight compounds. Therefore, the characteristics of the DOM must be determined in in-situ like conditions if one wants to assess the mobility of DOM in the clay pore space and to evaluate the mobility of heavy metals/ radionuclides. Due to their high binding capacity with metal ions and their colloidal sizes in natural waters, these macromolecules, through complexation reactions, might either enhance the mobility of trace elements, or reduce their migration rates by sorption processes in relation with their size and that of the porous medium. Consequently, the characterization of DOM in anoxic pore water samples from the COx

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

    International Nuclear Information System (INIS)

    Wickline, Alfred

    2005-01-01

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

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

    Science.gov (United States)

    Popov, Alexander

    2014-05-01

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

  19. Identification of Chemical Toxicity Using Ontology Information of Chemicals

    Directory of Open Access Journals (Sweden)

    Zhanpeng Jiang

    2015-01-01

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

  20. Rulison Site corrective action report

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-09-01

    Project Rulison was a joint US Atomic Energy Commission (AEC) and Austral Oil Company (Austral) experiment, conducted under the AEC`s Plowshare Program, to evaluate the feasibility of using a nuclear device to stimulate natural gas production in low-permeability gas-producing geologic formations. The experiment was conducted on September 10, 1969, and consisted of detonating a 40-kiloton nuclear device at a depth of 2,568 m below ground surface (BGS). This Corrective Action Report describes the cleanup of petroleum hydrocarbon- and heavy-metal-contaminated sediments from an old drilling effluent pond and characterization of the mud pits used during drilling of the R-EX well at the Rulison Site. The Rulison Site is located approximately 65 kilometers (40 miles) northeast of Grand Junction, Colorado. The effluent pond was used for the storage of drilling mud during drilling of the emplacement hole for the 1969 gas stimulation test conducted by the AEC. This report also describes the activities performed to determine whether contamination is present in mud pits used during the drilling of well R-EX, the gas production well drilled at the site to evaluate the effectiveness of the detonation in stimulating gas production. The investigation activities described in this report were conducted during the autumn of 1995, concurrent with the cleanup of the drilling effluent pond. This report describes the activities performed during the soil investigation and provides the analytical results for the samples collected during that investigation.

  1. Rulison Site corrective action report

    International Nuclear Information System (INIS)

    1996-09-01

    Project Rulison was a joint US Atomic Energy Commission (AEC) and Austral Oil Company (Austral) experiment, conducted under the AEC's Plowshare Program, to evaluate the feasibility of using a nuclear device to stimulate natural gas production in low-permeability gas-producing geologic formations. The experiment was conducted on September 10, 1969, and consisted of detonating a 40-kiloton nuclear device at a depth of 2,568 m below ground surface (BGS). This Corrective Action Report describes the cleanup of petroleum hydrocarbon- and heavy-metal-contaminated sediments from an old drilling effluent pond and characterization of the mud pits used during drilling of the R-EX well at the Rulison Site. The Rulison Site is located approximately 65 kilometers (40 miles) northeast of Grand Junction, Colorado. The effluent pond was used for the storage of drilling mud during drilling of the emplacement hole for the 1969 gas stimulation test conducted by the AEC. This report also describes the activities performed to determine whether contamination is present in mud pits used during the drilling of well R-EX, the gas production well drilled at the site to evaluate the effectiveness of the detonation in stimulating gas production. The investigation activities described in this report were conducted during the autumn of 1995, concurrent with the cleanup of the drilling effluent pond. This report describes the activities performed during the soil investigation and provides the analytical results for the samples collected during that investigation

  2. Metrics with vanishing quantum corrections

    International Nuclear Information System (INIS)

    Coley, A A; Hervik, S; Gibbons, G W; Pope, C N

    2008-01-01

    We investigate solutions of the classical Einstein or supergravity equations that solve any set of quantum corrected Einstein equations in which the Einstein tensor plus a multiple of the metric is equated to a symmetric conserved tensor T μν (g αβ , ∂ τ g αβ , ∂ τ ∂ σ g αβ , ...,) constructed from sums of terms, the involving contractions of the metric and powers of arbitrary covariant derivatives of the curvature tensor. A classical solution, such as an Einstein metric, is called universal if, when evaluated on that Einstein metric, T μν is a multiple of the metric. A Ricci flat classical solution is called strongly universal if, when evaluated on that Ricci flat metric, T μν vanishes. It is well known that pp-waves in four spacetime dimensions are strongly universal. We focus attention on a natural generalization; Einstein metrics with holonomy Sim(n - 2) in which all scalar invariants are zero or constant. In four dimensions we demonstrate that the generalized Ghanam-Thompson metric is weakly universal and that the Goldberg-Kerr metric is strongly universal; indeed, we show that universality extends to all four-dimensional Sim(2) Einstein metrics. We also discuss generalizations to higher dimensions

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

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, Bernadine; Matthews, Patrick

    2013-07-01

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

  4. Chemical and Biological Significance of Naturally Occurring ...

    African Journals Online (AJOL)

    PROF HORSFALL

    ABSTRACT: The potassium ester (C11H23COO-K+) commonly known as African black soap was prepared by the action of palm kernel oil on cocoa pods. This was divided into four portions. Sample A contained the African Black soap without any modification, sample B was black soap modified with honey, sample C and ...

  5. Environmental applications of chemically pure natural ferrihydrite

    Czech Academy of Sciences Publication Activity Database

    Filip, J.; Zbořil, R.; Schneeweiss, Oldřich; Zeman, J.; Černík, M.; Kvapil, P.; Otyepka, M.

    2007-01-01

    Roč. 41, č. 12 (2007), s. 4367-4374 ISSN 0013-936X R&D Projects: GA MŠk 1M0512 Institutional research plan: CEZ:AV0Z20410507 Keywords : hydrous ferric-oxide * acid - mine drainage * iron-oxide Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 4.363, year: 2007

  6. Correction to toporek (2014).

    Science.gov (United States)

    2015-01-01

    Reports an error in "Pedagogy of the privileged: Review of Deconstructing Privilege: Teaching and Learning as Allies in the Classroom" by Rebecca L. Toporek (Cultural Diversity and Ethnic Minority Psychology, 2014[Oct], Vol 20[4], 621-622). This article was originally published online incorrectly as a Brief Report. The article authored by Rebecca L. Toporek has been published correctly as a Book Review in the October 2014 print publication (Vol. 20, No. 4, pp. 621-622. http://dx.doi.org/10.1037/a0036529). (The following abstract of the original article appeared in record 2014-42484-006.) Reviews the book, Deconstructing Privilege: Teaching and Learning as Allies in the Classroom edited by Kim A. Case (2013). The purpose of this book is to provide a collection of resources for those teaching about privilege directly, much of this volume may be useful for expanding the context within which educators teach all aspects of psychology. Understanding the history and systems of psychology, clinical practice, research methods, assessment, and all the core areas of psychology could be enhanced by consideration of the structural framework through which psychology has developed and is maintained. The book presents a useful guide for educators, and in particular, those who teach about systems of oppression and privilege directly. For psychologists, this guide provides scholarship and concrete strategies for facilitating students' awareness of multiple dimensions of privilege across content areas. (PsycINFO Database Record (c) 2015 APA, all rights reserved).

  7. Radiation protection: A correction

    International Nuclear Information System (INIS)

    1972-01-01

    An error in translation inadvertently distorted the sense of a paragraph in the article entitled 'Ecological Aspects of Radiation Protection', by Dr. P. Recht, which appeared in the Bulletin, Volume 14, No. 2 earlier this year. In the English text the error appears on Page 28, second paragraph, which reads, as published: 'An instance familiar to radiation protection specialists, which has since come to be regarded as a classic illustration of this approach, is the accidental release at the Windscale nuclear centre in the north of England.' In the French original of this text no reference was made, or intended, to the accidental release which took place in 1957; the reference was to the study of the critical population group exposed to routine releases from the centre, as the footnote made clear. A more correct translation of the relevant sentence reads: 'A classic example of this approach, well-known to radiation protection specialists, is that of releases from the Windscale nuclear centre, in the north of England.' A second error appeared in the footnote already referred to. In all languages, the critical population group studied in respect of the Windscale releases is named as that of Cornwall; the reference should be, of course, to that part of the population of Wales who eat laver bread. (author)

  8. Cross plane scattering correction

    International Nuclear Information System (INIS)

    Shao, L.; Karp, J.S.

    1990-01-01

    Most previous scattering correction techniques for PET are based on assumptions made for a single transaxial plane and are independent of axial variations. These techniques will incorrectly estimate the scattering fraction for volumetric PET imaging systems since they do not take the cross-plane scattering into account. In this paper, the authors propose a new point source scattering deconvolution method (2-D). The cross-plane scattering is incorporated into the algorithm by modeling a scattering point source function. In the model, the scattering dependence both on axial and transaxial directions is reflected in the exponential fitting parameters and these parameters are directly estimated from a limited number of measured point response functions. The authors' results comparing the standard in-plane point source deconvolution to the authors' cross-plane source deconvolution show that for a small source, the former technique overestimates the scatter fraction in the plane of the source and underestimate the scatter fraction in adjacent planes. In addition, the authors also propose a simple approximation technique for deconvolution

  9. Natural radionuclides from U-238 and Th-232 series and inorganic chemical characterization of soil profiles and sediment cores of the TaiaÇUpeba Reservoir, SÃO Paulo, Brazil

    Energy Technology Data Exchange (ETDEWEB)

    Souza, J.M.; Damatto, S.R.; Surkov, A.M.; Silva, A.R.; Maduar, M.F.; Gonçalves, P.N., E-mail: jmarques@ipen.br, E-mail: damatto@ipen.br [Instituto de Pesquisas Energéticas e Nucleares (IPEN/CNEN-SP), São Paulo, SP (Brazil); Leonardo, L. [Centro Universitário São Camilo (Campus Ipiranga), São Paulo, SP (Brazil)

    2017-07-01

    Taiaçupeba reservoir, located in the state of São Paulo, Brazil, belongs to Producer System of Alto Tietê (Sistema Produtor Alto Tietê) and it is responsible for water supply for about 3.1million of people. The water quality of a reservoir is very important, but this is reduced by the increase of environmental degradation of the soil around the reservoir and its different uses. The study of soil profiles and sediment cores is an important tool for understanding the geophysical and geochemical aspects of an aquatic ecosystem. The objective of this work was to present the natural radionuclides {sup 238}U, {sup 226}Ra, {sup 210}Pb, {sup 232}Th, {sup 228}Th,{sup 228}Ra and {sup 40}K activity concentrations and also the inorganic chemical characterization of four soil profiles and four sediment cores collected in the area of influence area of Taiaçupeba reservoir. The analytical techniques, gamma spectrometry and instrumental neutron activation analysis were used in the determination. In the soil profiles the highest activity concentrations were obtained for the radionuclides {sup 40}K and {sup 228}Th and the lowest for {sup 210}Pb; in the sediment cores the highest activity concentrations were obtained for the radionuclide {sup 210}Pb and the lowest for {sup 226}Ra and {sup 228}Ra. For the inorganic chemical characterization the highest values obtained were for Na, As and Sb; in a sediment core a very high concentration was obtained for the element Zn indicating a probable accumulation of this element inside the reservoir; enrichment factor was used to evaluate a possible anthropic contamination in the soil and sediment at the margins of Taiaçupeba reservoir. (author)

  10. Natural radionuclides from U-238 and Th-232 series and inorganic chemical characterization of soil profiles and sediment cores of the TaiaÇUpeba Reservoir, SÃO Paulo, Brazil

    International Nuclear Information System (INIS)

    Souza, J.M.; Damatto, S.R.; Surkov, A.M.; Silva, A.R.; Maduar, M.F.; Gonçalves, P.N.; Leonardo, L.

    2017-01-01

    Taiaçupeba reservoir, located in the state of São Paulo, Brazil, belongs to Producer System of Alto Tietê (Sistema Produtor Alto Tietê) and it is responsible for water supply for about 3.1million of people. The water quality of a reservoir is very important, but this is reduced by the increase of environmental degradation of the soil around the reservoir and its different uses. The study of soil profiles and sediment cores is an important tool for understanding the geophysical and geochemical aspects of an aquatic ecosystem. The objective of this work was to present the natural radionuclides 238 U, 226 Ra, 210 Pb, 232 Th, 228 Th, 228 Ra and 40 K activity concentrations and also the inorganic chemical characterization of four soil profiles and four sediment cores collected in the area of influence area of Taiaçupeba reservoir. The analytical techniques, gamma spectrometry and instrumental neutron activation analysis were used in the determination. In the soil profiles the highest activity concentrations were obtained for the radionuclides 40 K and 228 Th and the lowest for 210 Pb; in the sediment cores the highest activity concentrations were obtained for the radionuclide 210 Pb and the lowest for 226 Ra and 228 Ra. For the inorganic chemical characterization the highest values obtained were for Na, As and Sb; in a sediment core a very high concentration was obtained for the element Zn indicating a probable accumulation of this element inside the reservoir; enrichment factor was used to evaluate a possible anthropic contamination in the soil and sediment at the margins of Taiaçupeba reservoir. (author)

  11. Radiative corrections to fermion matter and nontopological solitons

    International Nuclear Information System (INIS)

    Perry, R.J.

    1984-01-01

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

  12. Power corrections to the HTL effective Lagrangian of QED

    Science.gov (United States)

    Carignano, Stefano; Manuel, Cristina; Soto, Joan

    2018-05-01

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

  13. Siderophores of Stenotrophomonas maltophilia: detection and determination of their chemical nature Sideróforos de Stenotrophomonas maltophilia: detección y determinación de su naturaleza química

    Directory of Open Access Journals (Sweden)

    Carlos A. García

    2012-09-01

    Full Text Available Stenotrophomonas maltophilia is an emerging nosocomial pathogen. Despite the broad spectrum of syndromes associated with S. maltophilia infections, little is known about its virulence factors, including siderophore production. The aims of this work were to detect S. maltophilia siderophores and to determine their chemical nature. We studied 31 S. maltophilia isolates from device-associated infections, recovered over the period 2006-2011 at Hospital de Clínicas José de San Martin, Buenos Aires, Argentina, and the strain K279a, whose genome has been fully sequenced. The production of siderophores was screened by the chrome azurol S (CAS agar assay, previously modified to detect siderophores in this species. When grown on modified CAS agar plates, all the clinical isolates and K279a were CAS-positive for siderophore production. In order to determine the chemical nature of siderophores, the Csáky (hydroxamate-type and Arnow (catechol-type assays were used. All S. maltophilia isolates produced catechol-type siderophores, but hydroxamate-type siderophores were not detected.Stenotrophomonas maltophilia es un patógeno nosocomial emergente. A pesar de la variedad de infecciones que produce, poco se conoce acerca de sus factores de virulencia, incluida la producción de sideróforos. Nuestros objetivos fueron detectar sideróforos de S. maltophilia y determinar su naturaleza química. Se estudiaron 31 aislamientos provenientes de infecciones asociadas al uso de dispositivos médicos y la cepa K279a, cuyo genoma ha sido completamente secuenciado. Los aislamientos provenientes de infecciones se obtuvieron de pacientes asistidos en el Hospital de Clínicas José de San Martín (Buenos Aires, Argentina en el período 2006- 2011. Como método de tamizaje se empleó la técnica chrome azurol S (CAS en placa, luego de implementar una modificación para detectar sideróforos en esta especie. Dicha modificación permitió detectar la producción de sider

  14. Chemical ecology of fungi.

    Science.gov (United States)

    Spiteller, Peter

    2015-07-01

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

  15. CHEMICAL EVOLUTION

    Energy Technology Data Exchange (ETDEWEB)

    Calvin, Melvin

    1965-06-01

    How did life come to be on the surface of the earth? Darwin himself recognized that his basic idea of evolution by variation and natural selection must be a continuous process extending backward in time through that period in which the first living things arose and into the period of 'Chemical Evolution' which preceded it. We are approaching the examination of these events by two routes. One is to seek for evidence in the ancient rocks of the earth which were laid down prior to that time in which organisms capable of leaving their skeletons in the rocks to be fossilized were in existence. This period is sometime prior to approximately 600 million years ago. The earth is believed to have taken its present form approximately 4700 million years ago. We have found in rocks whose age is about 1000 million years certain organic molecules which are closely related to the green pigment of plants, chlorophyll. This seems to establish that green plants were already fluorishing prior to that time. We have now found in rocks of still greater age, namely, 2500 million years, the same kinds of molecules mentioned above which can be attributed to the presence of living organisms. If these molecules are as old as the rocks, we have thus shortened the time available for the generation of the complex biosynthetic sequences which give rise to these specific hydrocarbons (polyisoprenoids) to less than 2000 million years.

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

    International Nuclear Information System (INIS)

    Alfred Wickline

    2008-01-01

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

  17. Food systems in correctional settings

    DEFF Research Database (Denmark)

    Smoyer, Amy; Kjær Minke, Linda

    management of food systems may improve outcomes for incarcerated people and help correctional administrators to maximize their health and safety. This report summarizes existing research on food systems in correctional settings and provides examples of food programmes in prison and remand facilities......Food is a central component of life in correctional institutions and plays a critical role in the physical and mental health of incarcerated people and the construction of prisoners' identities and relationships. An understanding of the role of food in correctional settings and the effective......, including a case study of food-related innovation in the Danish correctional system. It offers specific conclusions for policy-makers, administrators of correctional institutions and prison-food-service professionals, and makes proposals for future research....

  18. Research Regarding The Impact Of Chemical Fertilizers Upon The Soil

    Directory of Open Access Journals (Sweden)

    Daniel Călugăr

    2010-06-01

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

  19. Corrective justice and contract law

    Directory of Open Access Journals (Sweden)

    Martín Hevia

    2010-06-01

    Full Text Available This article suggests that the central aspects of contract law in various jurisdictions can be explained within the idea of corrective justice. The article is divided into three parts. The first part distinguishes between corrective justice and distributive justice. The second part describes contract law. The third part focuses on actions for breach of contract and within that context reflects upon the idea of corrective justice.

  20. Corrective justice and contract law

    OpenAIRE

    Martín Hevia

    2010-01-01

    This article suggests that the central aspects of contract law in various jurisdictions can be explained within the idea of corrective justice. The article is divided into three parts. The first part distinguishes between corrective justice and distributive justice. The second part describes contract law. The third part focuses on actions for breach of contract and within that context reflects upon the idea of corrective justice.

  1. Chemical Peels

    Science.gov (United States)

    ... for Every Season How to Choose the Best Skin Care Products In This Section Dermatologic Surgery What is dermatologic ... for Every Season How to Choose the Best Skin Care Products Chemical Peels Uses for Chemical Peels Learn more ...

  2. Chemical Oscillations

    Indian Academy of Sciences (India)

    IMTECH),. Chandigarh. Praveen Kumar is pursuing his PhD in chemical dynamics at. Panjab University,. Chandigarh. Keywords. Chemical oscillations, autoca-. talYSis, Lotka-Volterra model, bistability, hysteresis, Briggs-. Rauscher reaction.

  3. Chemical ecotoxicology

    International Nuclear Information System (INIS)

    Paasivirta, J.

    1991-01-01

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

  4. Scientific pluralism and the Chemical Revolution.

    Science.gov (United States)

    Kusch, Martin

    2015-02-01

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

  5. Chemical sensor

    Science.gov (United States)

    Rauh, R. David (Inventor)

    1990-01-01

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

  6. Effect of the natural and artificial drying of leaf biomass Piper hispidinervum on the chemical composition of the essential oilEfeito da secagem natural e artificial da biomassa foliar de Piper hispidinervum na composição química do óleo essencial

    Directory of Open Access Journals (Sweden)

    Marília Pereira Machado

    2013-03-01

    Full Text Available Piper hispidinervum C.DC. is a plant native to the Amazon region, produces an essential oil rich in safrole. The aim of this study was to evaluate the effect of different methods of drying biomass in chemical composition of the essential oil of P. hispidinervum cultivated in Morretes (PR. The treatments were: fresh leaves; natural drying for 6 and 12 days; oven drying at 40°C for 6 and 12 days. The essential oil was extracted by hydrodistillation from samples of 50 g of each treatment in triplicate. The chemical composition of essential oil was performed by gas chromatography coupled to mass spectrometer (GC/ MS. The experimental design was completely randomized design with three replication and four plants per plot. Data were subjected to analysis of variance. The type and drying time changes the chemical composition of the essential oil of P. hispidinervum. The dried at 40°C for 12 days reduce the amount of essential oil components, but with increasing content of safrole. Piper hispidinervum C.DC. é uma planta nativa da Amazônia, produtora de óleo essencial rico em safrol. O objetivo do presente trabalho foi avaliar o efeito de diferentes métodos de secagem da biomassa folia de pimenta longa (P. hispidinervum, cultivada em Morretes (PR, na composição química do óleo essencial. Os tratamentos avaliados foram: folhas frescas; secagem natural por 6 e 12 dias; secagem em estufa à 40°C por 6 e 12 dias. O óleo essencial foi extraído por hidrodestilação a partir de amostras de 50 g de cada tratamento em triplicata. A determinação da composição química do óleo essencial foi realizada por cromatografia gasosa acoplada ao espectrômetro de massa (GC/MS. O delineamento experimental foi inteiramente casualizado, com três repetições e quatro plantas por parcela. Os dados obtidos foram submetidos à análise de variância. O tipo e tempo de secagem alteram a constituição química do óleo essencial de pimenta-longa. A secagem em

  7. Nearly degenerate neutrinos, supersymmetry and radiative corrections

    International Nuclear Information System (INIS)

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

    2000-01-01

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

  8. Black Holes, Holography, and Quantum Error Correction

    CERN Multimedia

    CERN. Geneva

    2017-01-01

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

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

    International Nuclear Information System (INIS)

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

    1997-01-01

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

  10. FY 1998 annual report on the research on the possibility of introducing a usable chemical substance manufacturing system by utilizing natural gas containing CO2; CO{sub 2} gan'yu tennen gas den katsuyo ni yoru yuyo kagaku busshitsu seizo system donyu kanosei ni kansuru chosa kenkyu 1998 nendo chosa hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-03-01

    The trends of effective use of gas containing CO2 from natural gas fields are surveyed, and usable chemical substance manufacturing systems which utilize natural energy are investigated, evaluated and analyzed, to extract promising systems for effective use of CO2-containing natural gas and thereby to promote its effective use. Chapter 1 outlines possibility of integrated use of gas containing CO2 from natural gas fields and natural gas energy. Chapter 2 describes the research trends in the CO2 conversion reactions for using unexploited CO2 as the carbon source. Chapter 3 describes natural energy utilization technology applicable to gas containing CO2 from natural gas fields. Chapter 4 describes performance of chemical manufacturing systems utilizing natural gas containing CO2. The energy balances and CO2 emission coefficients are estimated, based on the above. The evaluation is implemented in the order of (1) conventional steam reforming, (2) steam reforming in which heat is supplied by a solar furnace, (3) examination of the exhaust gases from a methanol synthesis process, and (4) examination of CO2-mixed reforming. Chapter 5 describes summary and proposals. (NEDO)

  11. FY 1998 annual report on the research on the possibility of introducing a usable chemical substance manufacturing system by utilizing natural gas containing CO2; CO{sub 2} gan'yu tennen gas den katsuyo ni yoru yuyo kagaku busshitsu seizo system donyu kanosei ni kansuru chosa kenkyu 1998 nendo chosa hokokusho

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1999-03-01

    The trends of effective use of gas containing CO2 from natural gas fields are surveyed, and usable chemical substance manufacturing systems which utilize natural energy are investigated, evaluated and analyzed, to extract promising systems for effective use of CO2-containing natural gas and thereby to promote its effective use. Chapter 1 outlines possibility of integrated use of gas containing CO2 from natural gas fields and natural gas energy. Chapter 2 describes the research trends in the CO2 conversion reactions for using unexploited CO2 as the carbon source. Chapter 3 describes natural energy utilization technology applicable to gas containing CO2 from natural gas fields. Chapter 4 describes performance of chemical manufacturing systems utilizing natural gas containing CO2. The energy balances and CO2 emission coefficients are estimated, based on the above. The evaluation is implemented in the order of (1) conventional steam reforming, (2) steam reforming in which heat is supplied by a solar furnace, (3) examination of the exhaust gases from a methanol synthesis process, and (4) examination of CO2-mixed reforming. Chapter 5 describes summary and proposals. (NEDO)

  12. Clean slate corrective action investigation plan

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-05-01

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

  13. Clean slate corrective action investigation plan

    International Nuclear Information System (INIS)

    1996-05-01

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

  14. Unpacking Corrections in Mobile Instruction

    DEFF Research Database (Denmark)

    Levin, Lena; Cromdal, Jakob; Broth, Mathias

    2017-01-01

    that the practice of unpacking the local particulars of corrections (i) provides for the instructional character of the interaction, and (ii) is highly sensitive to the relevant physical and mobile contingencies. These findings contribute to the existing literature on the interactional organisation of correction...

  15. Atmospheric correction of satellite data

    Science.gov (United States)

    Shmirko, Konstantin; Bobrikov, Alexey; Pavlov, Andrey

    2015-11-01

    Atmosphere responses for more than 90% of all radiation measured by satellite. Due to this, atmospheric correction plays an important role in separating water leaving radiance from the signal, evaluating concentration of various water pigments (chlorophyll-A, DOM, CDOM, etc). The elimination of atmospheric intrinsic radiance from remote sensing signal referred to as atmospheric correction.

  16. Stress Management in Correctional Recreation.

    Science.gov (United States)

    Card, Jaclyn A.

    Current economic conditions have created additional sources of stress in the correctional setting. Often, recreation professionals employed in these settings also add to inmate stress. One of the major factors limiting stress management in correctional settings is a lack of understanding of the value, importance, and perceived freedom, of leisure.…

  17. Self-interaction corrections in density functional theory

    International Nuclear Information System (INIS)

    Tsuneda, Takao; Hirao, Kimihiko

    2014-01-01

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

  18. Chemical modification of wood

    Science.gov (United States)

    Roger M. Rowell

    2007-01-01

    After millions of years of evolution, wood was designed to perform in a wet environment, and nature is programmed to recycle it, in a timely way, back to the basic building blocks of carbon dioxide and water through biological, thermal, aqueous, photochemical, chemical, and mechanical degradation. The properties of wood are, for the most part, a result of the chemistry...

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

    Energy Technology Data Exchange (ETDEWEB)

    Robert F. Boehlecke

    2005-01-01

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

  20. Corrective measures evaluation report for Tijeras Arroyo groundwater.

    Energy Technology Data Exchange (ETDEWEB)

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

    2005-08-01

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

  1. Entropy correction of BTZ black holes in a tunneling framework

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

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

  2. GUP parameter from quantum corrections to the Newtonian potential

    Energy Technology Data Exchange (ETDEWEB)

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

    2017-04-10

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

  3. Measurement and correction of chromaticity in Hefei light source

    International Nuclear Information System (INIS)

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

    2001-01-01

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

  4. [Chemical weapons and chemical terrorism].

    Science.gov (United States)

    Nakamura, Katsumi

    2005-10-01

    Chemical Weapons are kind of Weapons of Mass Destruction (WMD). They were used large quantities in WWI. Historically, large quantities usage like WWI was not recorded, but small usage has appeared now and then. Chemical weapons are so called "Nuclear weapon for poor countrys" because it's very easy to produce/possession being possible. They are categorized (1) Nerve Agents, (2) Blister Agents, (3) Cyanide (blood) Agents, (4) Pulmonary Agents, (5) Incapacitating Agents (6) Tear Agents from the viewpoint of human body interaction. In 1997 the Chemical Weapons Convention has taken effect. It prohibits chemical weapons development/production, and Organization for the Prohibition of Chemical Weapons (OPCW) verification regime contributes to the chemical weapons disposal. But possibility of possession/use of weapons of mass destruction by terrorist group represented in one by Matsumoto and Tokyo Subway Sarin Attack, So new chemical terrorism countermeasures are necessary.

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

    DEFF Research Database (Denmark)

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

    2011-01-01

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

  6. Avaliação da composição química de milho seco e armazenado em silo tipo alambrado com ar natural forçado Evaluation of chemical composition of corn dried and stored with forced natural air

    Directory of Open Access Journals (Sweden)

    Luiz Carlos Gutkoski

    2009-12-01

    Full Text Available O trabalho objetivou estudar o efeito da umidade de colheita e do tempo de armazenamento em grãos de milho secos e armazenados em silos com ar natural forçado. Grãos de milho colhidos com 17,8; 18,9 e 20,5% de água foram acondicionados em silos tipo alambrado com fundo falso perfurado e com ventiladores ligados ininterruptamente até a secagem. Amostras de milho foram coletadas nos tempos zero, 4, 8, 22 e 112 dias, em seis alturas de camada de cada silo (10, 60, 110, 160, 210 e 260 cm. A composição química foi determinada pelo uso de Espectrofotômetro do Infravermelho Proximal (NIR e os resultados expressos em porcentagem e em base seca. Os dados foram analisados estatisticamente (Anova e nas interações significativas, elaborados os gráficos de regressão. Nas determinações de proteínas, lipídios, matéria seca e fibra em detergente neutro as interações foram significativas ao nível de 5% de probabilidade de erro, enquanto que em cinzas, umidade e carboidratos não foram verificadas diferenças significativas. A aeração natural forçada é capaz de reduzir a umidade do milho para 13%, sendo tecnicamente viável em propriedades familiares.The aim of this work was to study the effects of moisture at harvest and time of storage upon grains of corn dried and stored in bins with forced natural air. Grains of corn harvested with 17.8; 18.9, and 20.5% of water were stored in drying bins with false floor with fans working full-time until drying. Samples of corn were collected at zero, 4, 8, 22, and 112 days from six different heights in each bin (10, 60, 110, 160, 210 and 260 cm. The chemical composition was determined through Near-Infrared Spectrophotometer (NIR and the results were expressed in percentage at dry basis. The data were statistically analyzed (Anova and for the significant interactions graphics of regression were provided. In the process of determination of protein, fat, dry matter, and neutral detergent fiber the

  7. Volatile chemical interaction between undamaged plants

    OpenAIRE

    Glinwood, Robert

    2010-01-01

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

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

    Energy Technology Data Exchange (ETDEWEB)

    David A. Strand

    2004-09-01

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

  9. Chemical evolution and life

    Directory of Open Access Journals (Sweden)

    Malaterre Christophe

    2015-01-01

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

  10. Hazardous Chemicals

    Centers for Disease Control (CDC) Podcasts

    Chemicals are a part of our daily lives, providing many products and modern conveniences. With more than three decades of experience, The Centers for Disease Control and Prevention (CDC) has been in the forefront of efforts to protect and assess people's exposure to environmental and hazardous chemicals. This report provides information about hazardous chemicals and useful tips on how to protect you and your family from harmful exposure.

  11. A Chemically Modified Curcumin (CMC 2.24) Inhibits Nuclear Factor κB Activation and Inflammatory Bone Loss in Murine Models of LPS-Induced Experimental Periodontitis and Diabetes-Associated Natural Periodontitis.

    Science.gov (United States)

    Elburki, Muna S; Rossa, Carlos; Guimarães-Stabili, Morgana R; Lee, Hsi-Ming; Curylofo-Zotti, Fabiana A; Johnson, Francis; Golub, Lorne M

    2017-08-01

    The purpose of this study was to assess the effect of a novel chemically modified curcumin (CMC 2.24) on NF-κB and MAPK signaling and inflammatory cytokine production in two experimental models of periodontal disease in rats. Experimental model I: Periodontitis was induced by repeated injections of LPS into the gingiva (3×/week, 3 weeks); control rats received vehicle injections. CMC 2.24, or the vehicle, was administered by daily oral gavage for 4 weeks. Experimental model II: Diabetes was induced in adult male rats by streptozotocin injection; periodontal breakdown then results as a complication of uncontrolled hyperglycemia. Non-diabetic rats served as controls. CMC 2.24, or the vehicle, was administered by oral gavage daily for 3 weeks to the diabetics. Hemimaxillae and gingival tissues were harvested, and bone loss was assessed radiographically. Gingival tissues were pooled according to the experimental conditions and processed for the analysis of matrix metalloproteinases (MMPs) and bone-resorptive cytokines. Activation of p38 MAPK and NF-κB signaling pathways was assessed by western blot. Both LPS and diabetes induced an inflammatory process in the gingival tissues associated with excessive alveolar bone resorption and increased activation of p65 (NF-κB) and p38 MAPK. In both models, the administration of CMC 2.24 produced a marked reduction of inflammatory cytokines and MMPs in the gingival tissues, decreased bone loss, and decreased activation of p65 (NF-κB) and p38 MAPK. Inhibition of these cell signaling pathways by this novel tri-ketonic curcuminoid (natural curcumin is di-ketonic) may play a role in its therapeutic efficacy in locally and systemically associated periodontitis.

  12. Alarms, Chemical

    Science.gov (United States)

    cited in applicable qualitative materiel requirements, small development requirements, technical characteristics, and other requirements and documentation that pertain to automatic chemical agent alarms.

  13. Chemical oceanography

    National Research Council Canada - National Science Library

    Millero, F.J

    1996-01-01

    Chemical Oceanography presents a comprehensive examination of the chemistry of oceans through discussions of such topics as descriptive physical oceanography, the composition of seawater and the major...

  14. Linear network error correction coding

    CERN Document Server

    Guang, Xuan

    2014-01-01

    There are two main approaches in the theory of network error correction coding. In this SpringerBrief, the authors summarize some of the most important contributions following the classic approach, which represents messages by sequences?similar to algebraic coding,?and also briefly discuss the main results following the?other approach,?that uses the theory of rank metric codes for network error correction of representing messages by subspaces. This book starts by establishing the basic linear network error correction (LNEC) model and then characterizes two equivalent descriptions. Distances an

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

    Energy Technology Data Exchange (ETDEWEB)

    Matthews, Patrick

    2014-05-01

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

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

    International Nuclear Information System (INIS)

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

    1983-07-01

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

  17. Chemical thermodynamics of uranium

    International Nuclear Information System (INIS)

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

    1992-01-01

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

  18. Logarithmic black hole entropy corrections and holographic Renyi entropy

    Energy Technology Data Exchange (ETDEWEB)

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

    2018-01-15

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

  19. Logarithmic black hole entropy corrections and holographic Renyi entropy

    International Nuclear Information System (INIS)

    Mahapatra, Subhash

    2018-01-01

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

  20. Correction tool for Active Shape Model based lumbar muscle segmentation.

    Science.gov (United States)

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

    2015-08-01

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