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Sample records for related compounds studied

  1. Semantic relations and compound transparency: A regression study in CARIN theory

    Directory of Open Access Journals (Sweden)

    Pham Hien

    2013-01-01

    Full Text Available According to the CARIN theory of Gagné and Shoben (1997, conceptual relations play an important role in compound interpretation. This study develops three measures gauging the role of conceptual relations, and pits these measures against measures based on latent semantic analysis (Landauer & Dumais, 1997. The CARIN measures successfully predict response latencies in a familiarity categorization task, in a semantic transparency task, and in visual lexical decision. Of the measures based on latent semantic analysis, only a measure orthogonal to the conceptual relations, which instead gauges the extent to which the concepts for the compound’s head and the compound itself are discriminated, also reached significance. Results further indicate that in tasks requiring careful assessment of the meaning of the compound, general knowledge of conceptual relations plays a central role, whereas in the lexical decision task, attention shifts to co-activated meanings and the specifics of the conceptual relations realized in the compound’s modifier family.

  2. A qualitative study of amlodipine and its related compounds by electrospray ionization tandem mass spectrometry.

    Science.gov (United States)

    Gibbons, John; Pugh, Jonathan; Dimopoulos-Italiano, Gina; Pike, Richard

    2006-01-01

    A comprehensive structural analysis of amlodipine and certain related compounds was performed by electrospray ionization tandem mass spectrometry. Triple quadrupole and quadrupole time-of-flight instruments were used to provide collision-induced dissociation and accurate mass measurement for selected product and second-generation product ions. A unique ion rearrangement was observed, which was found to be characteristic of certain dihydropyridines. This study provides a fundamental understanding of the fragmentation of these compounds. The structural elucidation of an unknown impurity is presented as an example. Copyright (c) 2006 John Wiley & Sons, Ltd.

  3. Studies On An Aerobic Oxidation Of Dibenzothiophene And Related Compounds Using Ruthenium Catalyst

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    Morishita Y.

    2015-06-01

    Full Text Available An aerobic oxidation of dibenzothiophene and related compounds using a catalytic amount of ruthenium chloride in hydrocarbon solvents at 80°C for 20 h gave the corresponding sulfones in almost quantitative yields. The reaction might proceed via autoxidation of solvents to hydroperoxides and the reaction of sulfur compounds with the resulting hydroperoxides.

  4. Bronzes and relative compounds

    International Nuclear Information System (INIS)

    Uehlls, A.

    1987-01-01

    Preparation and the crystal structure of bronzes based on complex oxides of transition (Ti, V, Nb, Ta, Mo, W, Re, Ru and etc.) and alkali metals, as well as oxides of some other elements (Sr, In, La and etc.) are described. Peculiarities of formation of the structure of tetragonal, tungsten, molybdenum, vanadium bronzes and their analogs depending on the chemical composition of these compounds are considered

  5. Positron Annihilation Studies of High-Temperature Superconductors and Related Compounds

    Science.gov (United States)

    Rayner, Simon

    Available from UMI in association with The British Library. The work described in this thesis is concerned with the study of the electronic structure of the high T_{c} superconductor YBa _2Cu_3O _7 and related oxide compounds using the technique of two dimensional angular correlation of annihilation radiation. These compounds differ widely in their physical properties, ranging from materials such as nickel oxide, which is an insulator, to YBa_2Cu _3O_7 or ReO _3 which are superconducting over a certain temperature range. We have studied some of these compounds with a view to clarifying whether YBa _2Cu_3O_7 possessed a Fermi surface. The numerous theories that have been proposed to explain the observed superconducting phase of these materials can be classified into two main groups. The theories in the first group predict the existence of a quasi two dimensional Fermi surface whereas the remaining models do not but are based on an approach similar to that used to explain the observed electronic structure of the transition monoxides. The data obtained from our study of NiO, CoO and twinned crystals of YBa_2Cu _3O_7 was of low statistics and it was not possible to deduce anything of significance. However, we were able to deduce that, consistent with the predictions of theory, the positron was preferentially annihilating on the copper-oxygen chains. The data obtained from our measurement on untwinned crystals of YBa_2Cu_3 O_7 was of much higher statistics and we found one of clearest imaginable manifestations of a Fermi surface in the form of a ridge in the anisotropy of our data. The ridge is even more apparent in the LCW -folded spectra. The form and profile of the ridge are in substantial agreement with the theoretical predictions of a Gamma-X electron ridge section from the Cu-O chains.

  6. Electronic structures of melatonin and related compounds studied by photoelectron spectroscopy

    CERN Document Server

    Kubota, M

    2003-01-01

    Melatonin is a hormone structurally regarded as being composed of a 5-methoxyindole group and an N-ethylacetamide group; its various physiological activities have attracted a great deal of attention recently. The gas phase He(I) photoelectron spectra of melatonin (M) and its related compounds including N-acetylserotonin have been studied with the aid of molecular orbital calculations. The first photoelectron spectral band group of compound M is ascribed to ionizations from the two pi orbitals localized on the methoxyindole group. The second band group is quite complicated and is regarded as being composed of several bands. The lower energy part of the second band group is ascribed to the three orbitals relevant to the third highest occupied pi orbital of 5-methoxyindole and the highest occupied pi and the n sub C sub = sub 0 orbitals of N-ethylacetamide. The interactions among the three orbitals have been found to operate on the basis of the molecular orbital calculations; these interactions depend strongly o...

  7. Electronic structures of melatonin and related compounds studied by photoelectron spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Kubota, Mari. E-mail: marik@hc.cc.keio.ac.jp; Kobayashi, Tsunetoshi

    2003-02-01

    Melatonin is a hormone structurally regarded as being composed of a 5-methoxyindole group and an N-ethylacetamide group; its various physiological activities have attracted a great deal of attention recently. The gas phase He(I) photoelectron spectra of melatonin (M) and its related compounds including N-acetylserotonin have been studied with the aid of molecular orbital calculations. The first photoelectron spectral band group of compound M is ascribed to ionizations from the two {pi} orbitals localized on the methoxyindole group. The second band group is quite complicated and is regarded as being composed of several bands. The lower energy part of the second band group is ascribed to the three orbitals relevant to the third highest occupied {pi} orbital of 5-methoxyindole and the highest occupied {pi} and the n{sub C=0} orbitals of N-ethylacetamide. The interactions among the three orbitals have been found to operate on the basis of the molecular orbital calculations; these interactions depend strongly on the conformations. The high energy end of the second band group is relevant to the {pi} orbital mainly localized on the 5-methoxyindole group and is ascribed to the fourth highest occupied {pi} orbital of 5-methoxyindole.

  8. Electronic structures of melatonin and related compounds studied by photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Kubota, Mari.; Kobayashi, Tsunetoshi

    2003-01-01

    Melatonin is a hormone structurally regarded as being composed of a 5-methoxyindole group and an N-ethylacetamide group; its various physiological activities have attracted a great deal of attention recently. The gas phase He(I) photoelectron spectra of melatonin (M) and its related compounds including N-acetylserotonin have been studied with the aid of molecular orbital calculations. The first photoelectron spectral band group of compound M is ascribed to ionizations from the two π orbitals localized on the methoxyindole group. The second band group is quite complicated and is regarded as being composed of several bands. The lower energy part of the second band group is ascribed to the three orbitals relevant to the third highest occupied π orbital of 5-methoxyindole and the highest occupied π and the n C=0 orbitals of N-ethylacetamide. The interactions among the three orbitals have been found to operate on the basis of the molecular orbital calculations; these interactions depend strongly on the conformations. The high energy end of the second band group is relevant to the π orbital mainly localized on the 5-methoxyindole group and is ascribed to the fourth highest occupied π orbital of 5-methoxyindole

  9. [Study of selegiline and related compounds with x-ray diffraction].

    Science.gov (United States)

    Simon, K; Böcskei, Z; Török, Z

    1992-09-01

    Selegiline and its parent compounds were studied by X-ray diffraction. It was established that the racemates of primary and secondary amines (p-fluoro-amphetamine, methamphetamine, p-fluoro-methamphetamine) hydrochloride do not form racemic compounds but crystalline as conglomerates, at the same time tertiary amines like selegiline and p-fluoro-selegiline hydrochlorides do. The crystalline structure of five enantiomeric hydrochlorides were determined, the CPhe-C-C-N torsion angle is anti-periplanar in all cases but in p-fluoro-amphetamine where it is gauche.

  10. Synthesis of hydantoin and thiohydantoin related compounds from benzil and study of their cytotoxicity

    Directory of Open Access Journals (Sweden)

    A. Kashem Liton and M. Rabiul Islam

    2006-06-01

    Full Text Available Condensation of benzil (1 with urea, monophenyl urea and diphenyl urea in the presence of absolute ethanol using 30% aqueous NaOH gave the products 1a, 1b and 1c respectively and also with thiourea, monomethyl thiourea, dimethyl thiourea and diethyl thiourea the products 2a, 2b, 2c and 2d were obtained. Methylation of the product, 2a in the presence of dimethyl formamide (DMF using K2CO3 formed 2. The compounds 1b, 1c, 2b, 2c and 2 showed highly cytotoxic activity and the compounds 1a, 2a, 2d showed relatively low cytotoxic activity against brine shrimp lethality bioassay.

  11. The binding of aluminum to mugineic acid and related compounds as studied by potentiometric titration.

    Science.gov (United States)

    Yoshimura, Etsuro; Kohdr, Hicham; Mori, Satoshi; Hider, Robert C

    2011-08-01

    The phytosiderophores, mugineic acid (MA) and epi-hydroxymugineic acid (HMA), together with a related compound, nicotianamine (NA), were investigated for their ability to bind Al(III). Potentiometric titration analysis demonstrated that MA and HMA bind Al(III), in contrast to NA which does not under normal physiological conditions. With MA and HMA, in addition to the Al complex (AlL), the protonated (AlLH) and deprotonated (AlLH(-1)) complexes were identified from an analysis of titration curves, where L denotes the phytosiderophore form in which all the carboxylate functions are ionized. The equilibrium formation constants of the Al(III) phytosiderophore complexes are much smaller than those of the corresponding Fe(III) complexes. The higher selectivity of phytosiderophores for Fe(III) over Al(III) facilitates Fe(III) acquisition in alkaline conditions where free Al(III) levels are higher than free Fe(III) levels.

  12. Dietary compound score and risk of age-related macular degeneration in the Age-Related Eye Disease Study

    Science.gov (United States)

    Purpose: Because foods provide many nutrients, which may interact with each other to modify risk for multifactorial diseases such as age-related macular degeneration (AMD), we sought to develop a composite scoring system to summarize the combined effect of multiple dietary nutrients on AMD risk. Th...

  13. Urinary levels of N-nitroso compounds in relation to risk of gastric cancer: findings from the shanghai cohort study.

    Science.gov (United States)

    Xu, Ling; Qu, Yong-Hua; Chu, Xin-Di; Wang, Renwei; Nelson, Heather H; Gao, Yu-Tang; Yuan, Jian-Min

    2015-01-01

    N-Nitroso compounds are thought to play a significant role in the development of gastric cancer. Epidemiological data, however, are sparse in examining the associations between biomarkers of exposure to N-nitroso compounds and the risk of gastric cancer. A nested case-control study within a prospective cohort of 18,244 middle-aged and older men in Shanghai, China, was conducted to examine the association between urinary level of N-nitroso compounds and risk of gastric cancer. Information on demographics, usual dietary intake, and use of alcohol and tobacco was collected through in-person interviews at enrollment. Urinary levels of nitrate, nitrite, N-nitroso-2-methylthiazolidine-4-carboxylic acid (NMTCA), N-nitrosoproline (NPRO), N-nitrososarcosine (NSAR), N-nitrosothiazolidine-4-carboxylic acid (NTCA), as well as serum H. pylori antibodies were quantified in 191 gastric cancer cases and 569 individually matched controls. Logistic regression method was used to assess the association between urinary levels of N-nitroso compounds and risk of gastric cancer. Compared with controls, gastric cancer patients had overall comparable levels of urinary nitrate, nitrite, and N-nitroso compounds. Among individuals seronegative for antibodies to H. pylori, elevated levels of urinary nitrate were associated with increased risk of gastric cancer. The multivariate-adjusted odds ratios for the second and third tertiles of nitrate were 3.27 (95% confidence interval = 0.76-14.04) and 4.82 (95% confidence interval = 1.05-22.17), respectively, compared with the lowest tertile (P for trend = 0.042). There was no statistically significant association between urinary levels of nitrite or N-nitroso compounds and risk of gastric cancer. Urinary NMTCA level was significantly associated with consumption of alcohol and preserved meat and fish food items. The present study demonstrates that exposure to nitrate, a precursor of N-nitroso compounds, may increase the risk of gastric cancer among

  14. The ethoxide and related compounds

    International Nuclear Information System (INIS)

    Omer, Azza Izzeldin Mohamed

    2000-06-01

    This study aimed to prepare tin ethoxide by different methods and to notice the effect of some variable parameters on the growth of the product. These reactions were carried out and the products were analyzed. Infra-red (IR) spectrum showed the existence of (Sn-O) bond. Gas-liquid chromatography results confirmed the IR analysis and showed that tin (II) ethoxide was formed and the main product was a dimer of tin ethoxide. The variable temperature, time and speed of stirring affected the amount of the product.(Author)

  15. Endocannabinoids, Related Compounds and Their Metabolic Routes

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    Filomena Fezza

    2014-10-01

    Full Text Available Endocannabinoids are lipid mediators able to bind to and activate cannabinoid receptors, the primary molecular targets responsible for the pharmacological effects of the Δ9-tetrahydrocannabinol. These bioactive lipids belong mainly to two classes of compounds: N-acylethanolamines and acylesters, being N-arachidonoylethanolamine (AEA and 2-arachidonoylglycerol (2-AG, respectively, their main representatives. During the last twenty years, an ever growing number of fatty acid derivatives (endocannabinoids and endocannabinoid-like compounds have been discovered and their activities biological is the subject of intense investigations. Here, the most recent advances, from a therapeutic point of view, on endocannabinoids, related compounds, and their metabolic routes will be reviewed.

  16. Phase stabilities of pyrite-related MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te): A systematic DFT study

    International Nuclear Information System (INIS)

    Bachhuber, Frederik; Krach, Alexander; Furtner, Andrea; Söhnel, Tilo; Peter, Philipp; Rothballer, Jan; Weihrich, Richard

    2015-01-01

    Pyrite-type and related systems appear for a wide range of binary and ternary combinations of transition metals and main group elements that form Zintl type dumbbell anion units. Those representatives with 20 valence electrons exhibit an extraordinary structural flexibility and interesting properties as low-gap semiconductors or thermoelectric and electrode materials. This work is devoted to the systematic exploration of novel compounds within the class of MTCh compounds (M=Ni, Pd, Pt; T=Si, Ge, Sn, Pb; Ch=S, Se, Te) by means of density functional calculations. Their preferred structures are predicted from an extended scheme of colored pyrites and marcasites. To determine their stabilities, competing binary MT 2 and MCh 2 boundary phases are taken into account as well as ternary M 3 T 2 Ch 2 and M 2 T 3 Ch 3 systems. Recently established stability diagrams are presented to account for MTCh ordering phenomena with a focus on a not-yet-reported ordering variant of the NiAs 2 type. Due to the good agreement with experimental data available for several PtTCh systems, the predictions for the residual systems are considered sufficiently accurate. - Graphical abstract: Compositional and structural stability of MTCh compounds is investigated from first principle calculations. A conceptional approach is presented to study and predict novel stable and metastable compounds and structures of low gap semiconductors with TCh dumbbell units that are isoelectronic and structurally related to pyrite (FeS 2 ). - Highlights: • Study of compositional stability of MTCh vs. M 3 T 2 Ch 2 and M 2 T 3 Ch 3 compounds. • Study of structural stability of known and novel MTCh compounds. • Prediction of novel stable and metastable structures and compounds isoelectronic to pyrite, FeS 2

  17. Optical study of Dirac fermions and related phonon anomalies in the antiferromagnetic compound CaFeAsF

    Science.gov (United States)

    Xu, B.; Xiao, H.; Gao, B.; Ma, Y. H.; Mu, G.; Marsik, P.; Sheveleva, E.; Lyzwa, F.; Dai, Y. M.; Lobo, R. P. S. M.; Bernhard, C.

    2018-05-01

    We performed optical studies on CaFeAsF single crystals, a parent compound of the 1111-type iron-based superconductors that undergoes a structural phase transition from tetragonal to orthorhombic at Ts=121 K and a magnetic one to a spin density wave (SDW) state at TN=110 K. In the low-temperature optical conductivity spectrum, after the subtraction of a narrow Drude peak, we observe a pronounced singularity around 300 cm-1 that separates two regions of quasilinear conductivity. We outline that these characteristic absorption features are signatures of Dirac fermions, similar to what was previously reported for the BaFe2As2 system [Z.-G. Chen et al., Phys. Rev. Lett. 119, 096401 (2017), 10.1103/PhysRevLett.119.096401]. In support of this interpretation, we show that for the latter system this singular feature disappears rapidly upon electron and hole doping, as expected if it arises from a van Hove singularity in between two Dirac cones. Finally, we show that one of the infrared-active phonon modes (the Fe-As mode at 250 cm-1) develops a strongly asymmetric line shape in the SDW state and note that this behavior can be explained in terms of a strong coupling with the Dirac fermions.

  18. Lyophilized kits of diamino dithiol compounds for labelling with 99m-technetium. Pharmacokinetics studies and distribution compartmental models of the related complexes

    International Nuclear Information System (INIS)

    Araujo, Elaine Bortoleti de

    1995-01-01

    The present work reflects the clinical interest for labelling diamino dithiol compounds with technetium-99m. Both chosen compounds, L,L-Ethylene dicysteine (L,L-EC) and L,L-Ethylene dicysteine diethyl esther (L,L-ECD) were obtained with relative good yield and characterized by IR and NMR. The study of labelling conditions with technetium-99m showed the influence of the type and mass of reducing agent as well as the pH on the formation of complexes with desired biological characteristics. Radiochemical purity was determined by thin layer chromatography (TLC) and high performance liquid chromatography (HPLC). Lyophilised kits of L,L-EC and L,L-ECD for labelling with 99m Tc were obtained, with stability superior to 120 days, when stored under refrigeration, enabling the kits marketing. The ideal formulation of the kits as well as the use of liquid nitrogen in the freezing process, determined the lyophilization success. Distribution biological studies of the 99m Tc complexes were performed on mice by invasive method and on bigger animals by scintigraphic evaluation. Biological distribution studies of the complex 99m Tc-L,L-EC showed fast blood clearance, with the elimination of about 90% of the administered dose after 60 minutes, almost exclusively by the urinary system. The biological distribution results were adjusted to a three compartmental distribution model, as expected for a radiopharmaceutical designed to renal dynamic studies, with tubular elimination. The complex interaction with renal tubular receptors is related with structural characteristics of the compound, more specifically with the presence and location of polar groups. In comparison with 99m Tc-L,L-EC, biological studies of the complex 99m Tc -L,L-ECD showed different distribution aspects, despite some structural similarities. The presence of ethyl groups confers to the complex neutrality and lipophilicity. It cross the intact blood brain barrier and is retained in the brain for enough period

  19. Studies in coal liquefaction with application to the SRC and related processes. Quarterly report, August 1981-October 1981. [Using model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Tarrer, A. R.; Guin, J. A.; Curtis, C. W.

    1981-01-01

    Model compound reactions were studied to evaluate the effects of mass transfer, solvent type, solvent blending, hydrogen partial pressure, temperature, reactant concentration, additive loading and its preparation, etc. Naphthalene hydrogenation and benzothiophene hydrodesulfurization were investigated under the conditions comparable to commercial coal liquefaction and related processes. Both of these reaction systems were observed to be surface reaction controlled under the reaction conditions used in this work. Certain aromatic compounds were observed to cause a reduction in the reaction rates of naphthalene and benzothiophene. Single stage coal dissolution was investigated using tetralin as a hydrogen donor solvent and a commercial cobalt-molybdate catalyst. A spinning basket system was developed to allow injection of the catalyst at a desired time in the reaction cycle. This catalyst injection technique proved to be reliable for the exploratory work done here. The degree of catalyst deactivation was rated by comparing the activities of the spent catalyst for model compound (naphthalene and cumene) reactivities relative to those of the fresh catalyst. No substantial reduction in deactivation was observed to result with delayed contacting of the catalyst with the coal-tetralin reaction mixture. The effect of reaction temperature on the initial rate of catalyst deactivation was also studied.

  20. Structure Based Virtual Screening Studies to Identify Novel Potential Compounds for GPR142 and Their Relative Dynamic Analysis for Study of Type 2 Diabetes

    Directory of Open Access Journals (Sweden)

    Aman C. Kaushik

    2018-02-01

    Full Text Available GPR142 (G protein receptor 142 is a novel orphan GPCR (G protein coupled receptor belonging to “Class A” of GPCR family and expressed in β cells of pancreas. In this study, we reported the structure based virtual screening to identify the hit compounds which can be developed as leads for potential agonists. The results were validated through induced fit docking, pharmacophore modeling, and system biology approaches. Since, there is no solved crystal structure of GPR142, we attempted to predict the 3D structure followed by validation and then identification of active site using threading and ab initio methods. Also, structure based virtual screening was performed against a total of 1171519 compounds from different libraries and only top 20 best hit compounds were screened and analyzed. Moreover, the biochemical pathway of GPR142 complex with screened compound2 was also designed and compared with experimental data. Interestingly, compound2 showed an increase in insulin production via Gq mediated signaling pathway suggesting the possible role of novel GPR142 agonists in therapy against type 2 diabetes.

  1. Structure Based Virtual Screening Studies to Identify Novel Potential Compounds for GPR142 and Their Relative Dynamic Analysis for Study of Type 2 Diabetes

    Science.gov (United States)

    Kaushik, Aman C.; Kumar, Sanjay; Wei, Dong Q.; Sahi, Shakti

    2018-02-01

    GPR142 (G protein receptor 142) is a novel orphan GPCR (G protein coupled receptor) belonging to ‘Class A’ of GPCR family and expressed in beta cells of pancreas. In this study, we reported the structure based virtual screening to identify the hit compounds which can be developed as leads for potential agonists. The results were validated through induced fit docking, pharmacophore modeling and system biology approaches. Since, there is no solved crystal structure of GPR142, we attempted to predict the 3D structure followed by validation and then identification of active site using threading and ab initio methods. Also, structure based virtual screening was performed against a total of 1171519 compounds from different libraries and only top 20 best hit compounds were screened and analyzed. Moreover, the biochemical pathway of GPR142 complex with screened compound2 was also designed and compared with experimental data. Interestingly, compound2 showed an increase in insulin production via Gq mediated signaling pathway suggesting the possible role of novel GPR142 agonists in therapy against type 2 diabetes.

  2. Study of the radiation effects on nucleic acids and related compounds. Annual progress report, November 15, 1977--November 14, 1978

    International Nuclear Information System (INIS)

    Wang, S.Y.

    1978-07-01

    Acquisition of information on molecular biology involves four stages: establishment of procedures for the separation, isolation, and characterization of radiation products of nucleic acid bases, nucleosides, etc.; development of methods for the synthesis of these products once they are identified so that a constant supply in milligram to gram quantities is available for the studies in stages 3 and 4; examination of the apparent biological effects of each product in vitro and in vivo; and study of the molecular mechanism related to an observed biological phenomenon. In view of the difficulties experienced in this area of research and this deliberate and careful investigative approach, it was generally believed that progress toward our final goal would be rather prolonged. Yet the elucidation of a molecular mechanism by which ionizing radiation induces mutation in vivo is very near at hand. Further progress has been made in the separation and isolation of three hydroperoxy derivatives of thymidine. One communication has appeared and another has been submitted for publication. The former reports the efficient stereospecific synthesis of cis-pyrimidine glycols and the latter describes the study of mutagenicity and toxicity of seven radiation products of thymine and thymidine using Ames Salmonella test. Also, a quantitative study of the reversion of cytosine N(3)-oxide, a hydroperoxidation product induced by 6-TOOH, to cytosine has been carried out

  3. Study of the radiation effects on nucleic acids and related compounds. Annual progress report, August 15, 1974--August 14, 1975

    International Nuclear Information System (INIS)

    Wang, S.Y.

    1975-01-01

    Interest is being centered on the chemical and physical nature of radiation-induced lesions to nucleic acids and their components. These investigations have revealed the enormous complexity of chemical events in these systems and the possible degradation of nucleic acids by strand breakage. Therefore, work in the ionizing radiation of DNA and its components has proceeded along a dual course. For chemical studies, our prime concern is the stepwise isolation and identification of the radiation products of derivatives of pyrimidines and the study of the actual mechanisms of their formation. For biological studies, H. influenzae cells, the Chinese hamster V79B-1 cell line, and the Dunn osteosarcoma lung colony system were used. During the last year, the method of synthesis of 5-hydroperoxymethyluracil (T/sub α/OOH) was greatly improved. Large-scale preparation of 5-hydroxy-6-hydroperoxy-5,6-dihydrothymine (T 6 OOH) were carried out in order to study the action of T 6 OOH on neighboring bases, glycosidic bond-breakage, cell mutagenesis, chromosomal aberrations, and possible synergistic effects on x radiation. These results allow one to relate radiobiological effects with radiation chemical changes in DNA

  4. Study of the effects of radiation of nucleic acids and related compounds. Progress report, August 15, 1975--August 14, 1976

    International Nuclear Information System (INIS)

    Wang, S.Y.

    1976-04-01

    Ionizing radiation produces genetic effects in biological systems. Since genetic effects are usually the result of modifications of DNA or sometimes of RNA, interest is being centered on the chemical and physical nature of radiation-induced lesions to nucleic acids and their components. These investigations have revealed the enormous complexity of chemical events and the possible degradation of nucleic acids by strand breakage. Therefore, work in the ionization radiation of nucleic acids has proceeded along a dual course. On the one hand, molecular changes have been characterized for a number of primary radiation products. On the other hand, strand breakage has been investigated intensively as a direct primary event. Both of these aspects were emphasized in our research last year. We succeeded in improving the synthesis of 5-hydroxy-methyl thymine (α-TOOH). α-TOOH was found to be much more effective than cis-5,6-dihydro-6-hydroperoxy-5-hydroxy thymine (6-TOOH) in the inactivation of transforming DNA of H. influenzae cells although α-TOOH is much less reactive chemically than 6-TOOH. 6-TOOH causes inactivation and acts as an inhibitor of DNA synthesis in mammalian cells. In addition, evidence may indicate that 6-TOOH does not induce strand breaks directly in DNA although we showed that 6-TOOH is a clastogenic compound

  5. Study of the Cytotoxic and Antifungal Activities of Neolignans 8.O.4´ and Structurally Related Compounds

    Directory of Open Access Journals (Sweden)

    P. Matyus

    2000-03-01

    Full Text Available In the present work we report the antifungal and cytotoxic activities of a neolignan 8.O.4´series. The most active antifungal compounds show a significant cytotoxic effect which might be related.

  6. Improvements in or relating to compounds

    International Nuclear Information System (INIS)

    Woodhead, J.L.

    1983-01-01

    The invention provides a process for the preparation of a dispersible product containing a cerium compound which comprises heating a cerium (IV) oxide hydrate in the presence of a salt to cause deaggregation of aggregated crystallites in the cerium (IV) oxide hydrate and produce a dispersible product containing a cerium compound. (author)

  7. Thermodynamic behavior of glassy state of structurally related compounds.

    Science.gov (United States)

    Kaushal, Aditya Mohan; Bansal, Arvind Kumar

    2008-08-01

    Thermodynamic properties of amorphous pharmaceutical forms are responsible for enhanced solubility as well as poor physical stability. The present study was designed to investigate the differences in thermodynamic parameters arising out of disparate molecular structures and associations for four structurally related pharmaceutical compounds--celecoxib, valdecoxib, rofecoxib, and etoricoxib. Conventional and modulated temperature differential scanning calorimetry were employed to study glass forming ability and thermodynamic behavior of the glassy state of model compounds. Glass transition temperature of four glassy compounds was in a close range of 327.6-331.8 K, however, other thermodynamic parameters varied considerably. Kauzmann temperature, strength parameter and fragility parameter showed rofecoxib glass to be most fragile of the four compounds. Glass forming ability of the compounds fared similar in the critical cooling rate experiments, suggesting that different factors were determining the glass forming ability and subsequent behavior of the compounds in glassy state. A comprehensive understanding of such thermodynamic facets of amorphous form would help in rationalizing the approaches towards development of stable glassy pharmaceuticals.

  8. Studying the propensity of compounds to supersaturate

    DEFF Research Database (Denmark)

    Palmelund, Henrik; Madsen, Cecilie Maria; Christensen, Jakob Plum

    2016-01-01

    Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations of supersatura......Supersaturating drug delivery systems can enhance the oral bioavailability of poorly soluble drug compounds. Supersaturation of such compounds has been studied in many different ways; however, a more standardized method is required. The rationale of choosing suitable concentrations...... of supersaturation to study has previously been very inconsistent. This makes comparisons between studies and compounds difficult, as the propensity of compounds to supersaturate varies greatly. This study presents a standardized method to study the supersaturation of drug compounds. The method allows, both......, for a ranking of compounds according to their supersaturation propensity and the effectiveness of precipitation inhibitors. The time-concentration profile of supersaturation and precipitation was studied in situ for 4 different concentrations for 6 model compounds (albendazole, aprepitant, danazol, felodipine...

  9. Study of the radiation effects on nucleic acids and related compounds. Progress report, August 15, 1976--November 14, 1977

    International Nuclear Information System (INIS)

    Wang, S.Y.

    1977-08-01

    The effects of ionizing radiation on nucleic acids and components were studied in vitro. Our approach involves four levels of operation and progress is being made at each stage. First, procedures were established to separate and purify three reactive radiation products from thymidine. Second, improved methods of synthesizing trans-glycols of pyrimidines were developed, and a new method for the stereospecific synthesis of cis-glycol of pyrimidines was realized. Thirdly, the Ames Salmonella test was used to determine the mutagenicity of the radiation products and the reactive ones from thymine and thymidine were found to be highly mutagenic. Therefore, all radiation products should be considered potential human health hazards and should be screened when they can be purified and synthesized. In the fourth stage, the reaction of each nucleic-acid base with Cu ++ and cis-5,6-dihydro-6-hydroperoxy-5-hydroxythymine (6-TOOH) was studied in order to further our understanding of the molecular mechanisms of radiation mutagenesis. The presence of Cu ++ was shown to be necessary for the effective mutagenic activity of 6-TOOH in the H. influenzae transformation assay. These findings provide fundamental information about the possible health hazards of ionizing radiation and will be useful in designing methods to protect against and repair radiation damage, which may be mutagenic and carcinogenic

  10. Studies on Ancylostomiasis: II.Clinical Symptomatology, Effects of Drugs, especially of Iron Compounds, with Relation to the Severity of Artificial Infection

    International Nuclear Information System (INIS)

    Lee, Mun Ho; Kim, Dong Jip; Lee, Jang Kyu; Seo, Byong Sul

    1967-01-01

    This study was aimed; firstly to observe various clinical symptomatology with relation to the number of Ancylostoma duodenale larvae orally given to the human beings, secondly to evaluate the effects of some drugs like steroid hormones, antihistaminics and antitussives, and, thirdly to study the influences of some iron compounds in prevention and treatment of anemia of such origin. Ten healthy volunteers free from the previous history of hookworm infection were divided into 4 groups, to whom various numbers of actively moving filariform Ancylostoma duodenale larvae were orally given; 500 to 4 cases, 250 to 3 cases and 100 to 3 cases. Following were the results: 1. Clinical symptomatology. 1) The most frequently encountered symptoms and signs were general malaise, cough and hoarseness. The tracheal itching and pain, low back pain, arthralgia, sputum and salivation, acid belching, loss of appetite, abdominal pain and vomiting were also noted. 2) If the larger number of the larvae was given, the clinical symptomatology was more severe. 3) Prednisolone medication caused some improvement of such symptomatology, while the antihistaminics and antitussives like codeine or ephedrine were ineffective. 4) In volunteers whose nutritional conditions were rather poor appeared to show more severe symptomatology. 2. Effects of iron compounds. 1) The oral administration of ferrous fumarate induced a slight increase of serum iron levels in the initial stage of the infection, then a decrease from 15-20 days later and a recovery after 2 months. 2) The intravenous administration of saccharated ferric oxide induced a steady upkeep of the serum iron levels. 3) The hemoglobin contents also showed the upkeeps after either the oral or intravenous administration of the iron compounds. 4) The iron compounds, therefore, are considered to have the preventive as well as the therapeutic effects on hookworm anemia, which may strongly suggest that hookworm anemia is essentially the iron deficiency

  11. Studies on Ancylostomiasis: II.Clinical Symptomatology, Effects of Drugs, especially of Iron Compounds, with Relation to the Severity of Artificial Infection

    Energy Technology Data Exchange (ETDEWEB)

    Lee, Mun Ho; Kim, Dong Jip; Lee, Jang Kyu; Seo, Byong Sul [Seoul National University College of Medicine, Seoul (Korea, Republic of)

    1967-09-15

    This study was aimed; firstly to observe various clinical symptomatology with relation to the number of Ancylostoma duodenale larvae orally given to the human beings, secondly to evaluate the effects of some drugs like steroid hormones, antihistaminics and antitussives, and, thirdly to study the influences of some iron compounds in prevention and treatment of anemia of such origin. Ten healthy volunteers free from the previous history of hookworm infection were divided into 4 groups, to whom various numbers of actively moving filariform Ancylostoma duodenale larvae were orally given; 500 to 4 cases, 250 to 3 cases and 100 to 3 cases. Following were the results: 1. Clinical symptomatology. 1) The most frequently encountered symptoms and signs were general malaise, cough and hoarseness. The tracheal itching and pain, low back pain, arthralgia, sputum and salivation, acid belching, loss of appetite, abdominal pain and vomiting were also noted. 2) If the larger number of the larvae was given, the clinical symptomatology was more severe. 3) Prednisolone medication caused some improvement of such symptomatology, while the antihistaminics and antitussives like codeine or ephedrine were ineffective. 4) In volunteers whose nutritional conditions were rather poor appeared to show more severe symptomatology. 2. Effects of iron compounds. 1) The oral administration of ferrous fumarate induced a slight increase of serum iron levels in the initial stage of the infection, then a decrease from 15-20 days later and a recovery after 2 months. 2) The intravenous administration of saccharated ferric oxide induced a steady upkeep of the serum iron levels. 3) The hemoglobin contents also showed the upkeeps after either the oral or intravenous administration of the iron compounds. 4) The iron compounds, therefore, are considered to have the preventive as well as the therapeutic effects on hookworm anemia, which may strongly suggest that hookworm anemia is essentially the iron deficiency

  12. Certain Aliphatic Nitramines and Related Compounds

    Science.gov (United States)

    1944-11-29

    compounds are ruite unstable. It has beer , impossible to prepare N-iodcmifcramines by any synthesis thus far attempted and the N-bromonitramines...end of tb’f. tine the solution v;as soured over 1500 g. of crac3:cd ice end neutralised with about GOO z» ot sodium bicarbonate. After extraction

  13. Structural studies of novel coordination compounds run in the Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences

    International Nuclear Information System (INIS)

    Antipin, M.Yu.; Starikova, Z.A.; Yanovskij, A.I.; Dolgushin, F.M.; Lysenko, K.A.; Khrustalev, V.N.; Vorontsov, I.I.; Korlyukov, A.A.; Andreev, G.B.; Neretin, I.S.

    2001-01-01

    The results of the investigation into structural chemistry of coordination compounds taking place in the X-ray Laboratory of the Nesmeyanov Institute of Organoelement Compounds, Russian Academy of Sciences are given. The review gives an idea on the tendencies to structural researches of complexes of varying categories of coordination compounds, among which are lithium, strontium, cadmium compounds, rare earth compounds, transuranium compounds, transition element compounds, carboranes, fullerenes. An attempt was made to prove the structure and reveal the novel structural and crystallochemical regularities in the studied series of relative compounds. The outlooks for the following progress of studies on this field are determined [ru

  14. Muon-spin-rotation studies of the temperature dependence of the magnetic penetration depth in the YBa2Cu3Ox family and related compounds

    International Nuclear Information System (INIS)

    Zimmermann, P.; Keller, H.; Lee, S.L.; Savic, I.M.; Warden, M.; Zech, D.; Cubitt, R.; Forgan, E.M.; Kaldis, E.; Karpinski, J.; Krueger, C.

    1995-01-01

    A systematic muon-spin-rotation (μ + SR) study is presented of the temperature dependence of the London penetration depth in sintered powder samples of the YBa 2 Cu 3 O x system and related compounds. The in-plane penetration depth λ ab is estimated from the μ + SR depolarization rate of Bi 2 Sr 2 CaCu 2 O 8+δ , YBa 2 Cu 4 O 8 , and a series of samples of the YBa 2 Cu 3 O x family, respectively. It is found that not only the low-temperature value λ ab (0), but also the temperature behavior λ ab (T) is specific to each compound. The form of λ ab (T) can be well characterized by a simple power law. In particular, the YBa 2 Cu 3 O x family shows a systematic variation of the form of λ ab (T) with the oxygen content x which points to a varying coupling strength, whereas λ ab (0) as a function of x suggests a positive charge transfer into the CuO 2 planes with increasing oxygen doping. Furthermore, our data is consistent with an empirical ansatz which has been proposed in the framework of a Bose-gas picture of high-temperature superconductivity. As a consequence, the pressure and the isotope coefficients can be extracted from the μ + SR depolarization rate and compared to direct measurements of these quantities, showing good agreement. Moreover, in the Bose-gas picture the variation of λ ab (T) in the YBa 2 Cu 3 O x family may be interpreted as a crossover from a dense (high-T c ) to a dilute (low-T c ) system of weakly interacting local pairs

  15. An Examination of the Chemistry of Peroxycarboxylic Nitric Anhydrides and Related Volatile Organic Compounds During Texas Air Quality Study 2000 Using Ground-Based Measurements

    Energy Technology Data Exchange (ETDEWEB)

    Roberts, James M.; Jobson, B Tom T.; Kuster, W. C.; Goldan, P. D.; Murphy, Paul; Williams, Eric; Frost, G. J.; Riemer, D.; Apel, Eric; Stroud, C.; Wiedinmyer, Christine; Fehsenfeld, Fred C.

    2003-08-19

    Measurements of peroxycarboxylic nitric anhydrides (PANs) along with related volatile organic compounds (VOCs) were made at the La Porte super site during the TexAQS 2000 Houston study. The PAN mixing ratios ranged up to 6.5 ppbv and were broadly correlated with O3, characteristic of a highly polluted urban environment. The anthropogenic PAN homologue concentrations were generally consistent with those found in other urban environments; peroxypropionic nitric anhydride (PPN) averaged 15%, and peroxyisobutyric nitric anhydride (PiBN) averaged 3% of PAN,. Some periods were noted where local petrochemical sources resulted in anomalous PANs chemistry. This effect was especially noticeable in the case of peroxyacrylic nitric anhydride (APAN) where local sources of 1,3-butadiene and acrolein resulted in APAN as high as 30% of PAN. Peroxymethacrylic nitric anhydride (MPAN) was a fairly minor constituent of the PANs except for two periods on 4 and 5 September when air masses from high biogenic hydrocarbons (BHC) areas were observed. BHC chemistry was not a factor in the highest ozone pollution episodes in Houston but may have an impact on daily average ozone levels in some circumstances.

  16. Synthesis and anion binding properties of porphyrins and related compounds

    KAUST Repository

    Figueira, Flávio

    2016-12-02

    Over the last two decades the preparation of pyrrole-based receptors for anion recognition has attracted considerable attention. In this regard porphyrins, phthalocyanines and expanded porphyrins have been used as strong and selective receptors while the combination of those with different techniques and materials can boost their applicability in different applications as chemosensors and extracting systems. Improvements in the field, including the synthesis of this kind of compounds, can contribute to the development of efficient, cheap, and easy-to-prepare anion receptors. Extensive efforts have been made to improve the affinity and selectivity of these compounds and the continuous expansion of related research makes this chemistry even more promising. In this review, we summarize the most recent developments in anion binding studies while outlining the strategies that may be used to synthesize and functionalize these type of macrocycles. © 2016 World Scientific Publishing Company.

  17. Antioxidant potential of curcumin-related compounds studied by chemiluminescence kinetics, chain-breaking efficiencies, scavenging activity (ORAC) and DFT calculations

    Science.gov (United States)

    Slavova-Kazakova, Adriana K; Angelova, Silvia E; Veprintsev, Timur L; Denev, Petko; Fabbri, Davide; Dettori, Maria Antonietta; Kratchanova, Maria; Naumov, Vladimir V; Trofimov, Aleksei V; Vasil’ev, Rostislav F

    2015-01-01

    Summary This study compares the ability to scavenge different peroxyl radicals and to act as chain-breaking antioxidants of monomers related to curcumin (1): dehydrozingerone (2), zingerone (3), (2Z,5E)-ethyl 2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxohexa-2,5-dienoate (4), ferulic acid (5) and their corresponding C 2-symmetric dimers 6–9. Four models were applied: model 1 – chemiluminescence (CL) of a hydrocarbon substrate used for determination of the rate constants (k A) of the reactions of the antioxidants with peroxyl radicals; model 2 – lipid autoxidation (lipidAO) used for assessing the chain-breaking antioxidant efficiency and reactivity; model 3 – oxygen radical absorbance capacity (ORAC), which yields the activity against peroxyl radicals generated by an azoinitiator; model 4 – density functional theory (DFT) calculations at UB3LYP/6-31+G(d,p) level, applied to explain the structure–activity relationship. Dimers showed 2–2.5-fold higher values of k A than their monomers. Model 2 gives information about the effects of the side chains and revealed much higher antioxidant activity for monomers and dimers with α,β-unsaturated side chains. Curcumin and 6 in fact are dimers of the same monomer 2. We conclude that the type of linkage between the two “halves” by which the molecule is made up does not exert influence on the antioxidant efficiency and reactivity of these two dimers. The dimers and the monomers demonstrated higher activity than Trolox (10) in aqueous medium (model 3). A comparison of the studied compounds with DL-α-tocopherol (11), Trolox and curcumin is made. All dimers are characterized through lower bond dissociation enthalpies (BDEs) than their monomers (model 4), which qualitatively supports the experimental results. PMID:26425195

  18. Antioxidant potential of curcumin-related compounds studied by chemiluminescence kinetics, chain-breaking efficiencies, scavenging activity (ORAC and DFT calculations

    Directory of Open Access Journals (Sweden)

    Adriana K. Slavova-Kazakova

    2015-08-01

    Full Text Available This study compares the ability to scavenge different peroxyl radicals and to act as chain-breaking antioxidants of monomers related to curcumin (1: dehydrozingerone (2, zingerone (3, (2Z,5E-ethyl 2-hydroxy-6-(4-hydroxy-3-methoxyphenyl-4-oxohexa-2,5-dienoate (4, ferulic acid (5 and their corresponding C2-symmetric dimers 6–9. Four models were applied: model 1 – chemiluminescence (CL of a hydrocarbon substrate used for determination of the rate constants (kA of the reactions of the antioxidants with peroxyl radicals; model 2 – lipid autoxidation (lipidAO used for assessing the chain-breaking antioxidant efficiency and reactivity; model 3 – oxygen radical absorbance capacity (ORAC, which yields the activity against peroxyl radicals generated by an azoinitiator; model 4 – density functional theory (DFT calculations at UB3LYP/6-31+G(d,p level, applied to explain the structure–activity relationship. Dimers showed 2–2.5-fold higher values of kA than their monomers. Model 2 gives information about the effects of the side chains and revealed much higher antioxidant activity for monomers and dimers with α,β-unsaturated side chains. Curcumin and 6 in fact are dimers of the same monomer 2. We conclude that the type of linkage between the two “halves” by which the molecule is made up does not exert influence on the antioxidant efficiency and reactivity of these two dimers. The dimers and the monomers demonstrated higher activity than Trolox (10 in aqueous medium (model 3. A comparison of the studied compounds with DL-α-tocopherol (11, Trolox and curcumin is made. All dimers are characterized through lower bond dissociation enthalpies (BDEs than their monomers (model 4, which qualitatively supports the experimental results.

  19. Antioxidant potential of curcumin-related compounds studied by chemiluminescence kinetics, chain-breaking efficiencies, scavenging activity (ORAC) and DFT calculations.

    Science.gov (United States)

    Slavova-Kazakova, Adriana K; Angelova, Silvia E; Veprintsev, Timur L; Denev, Petko; Fabbri, Davide; Dettori, Maria Antonietta; Kratchanova, Maria; Naumov, Vladimir V; Trofimov, Aleksei V; Vasil'ev, Rostislav F; Delogu, Giovanna; Kancheva, Vessela D

    2015-01-01

    This study compares the ability to scavenge different peroxyl radicals and to act as chain-breaking antioxidants of monomers related to curcumin (1): dehydrozingerone (2), zingerone (3), (2Z,5E)-ethyl 2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-4-oxohexa-2,5-dienoate (4), ferulic acid (5) and their corresponding C 2-symmetric dimers 6-9. Four models were applied: model 1 - chemiluminescence (CL) of a hydrocarbon substrate used for determination of the rate constants (k A) of the reactions of the antioxidants with peroxyl radicals; model 2 - lipid autoxidation (lipidAO) used for assessing the chain-breaking antioxidant efficiency and reactivity; model 3 - oxygen radical absorbance capacity (ORAC), which yields the activity against peroxyl radicals generated by an azoinitiator; model 4 - density functional theory (DFT) calculations at UB3LYP/6-31+G(d,p) level, applied to explain the structure-activity relationship. Dimers showed 2-2.5-fold higher values of k A than their monomers. Model 2 gives information about the effects of the side chains and revealed much higher antioxidant activity for monomers and dimers with α,β-unsaturated side chains. Curcumin and 6 in fact are dimers of the same monomer 2. We conclude that the type of linkage between the two "halves" by which the molecule is made up does not exert influence on the antioxidant efficiency and reactivity of these two dimers. The dimers and the monomers demonstrated higher activity than Trolox (10) in aqueous medium (model 3). A comparison of the studied compounds with DL-α-tocopherol (11), Trolox and curcumin is made. All dimers are characterized through lower bond dissociation enthalpies (BDEs) than their monomers (model 4), which qualitatively supports the experimental results.

  20. Thermal decomposition of tributylphosphate and some related compounds

    International Nuclear Information System (INIS)

    Bruneau, Christian; Lhomme, Veronique; Brault, Auguste; Chevalier, Gerard; Soyer, Noel.

    1981-04-01

    The difficulties encountered during the processing of effluents released by heat degradation of wastes containing tributylphosphate show the need of a better knowledge of the products released during the reactions involved. A review was made of the uses, properties and toxicity of TBP and three related compounds. Their degradation by heat was studied experimentally in various conditions (atmospheres, temperatures, ...). The analysis of the gaseous, liquid or solid products specified the reaction kineticss occuring in such conditions. A comparison of the results made it possible to assess the hazards from a plant for heat destruction of TBP and to master them according to the various possibilities [fr

  1. Chemistry of clothianidin and related compounds.

    Science.gov (United States)

    Uneme, Hideki

    2011-04-13

    Clothianidin, a neonicotinoid insecticide, has been found by former Agro Division, Takeda Chemical Industries, Ltd. (Sumitomo Chemical Co., Ltd., at present) and codeveloped with Bayer CropScience. During the studies on neonicotinoid insecticides, nitenpyram (an open-chain nitromethylene derivative) was prepared first, showing a potent activity against Hemiptera and Thysanoptera pests, and its modification led to clothianidin (a nitroguanidine derivative). Clothianidin exhibits excellent control efficacies in small amounts for a wide variety of insect pests such as Hemiptera, Thysanoptera, Coleoptera, Lepidoptera, and Diptera for the long term, with excellent systemic action and by a variety of application methods. The structural features of clothianidin are a thiazole ring and an open-chain guanidine skeleton. The structure-activity relationships of guanidine derivatives and the synthetic studies of clothianidin are also discussed.

  2. Adrenal metabolism of mitotane and related compounds

    International Nuclear Information System (INIS)

    Djanegara, T.K.S.

    1989-01-01

    Mitotane (o,p'-DDD; 1-[2-chlorophenyl]-1-[4-chlorophenyl]-2,2-dichloroethane) has been used in the treatment of Cushing's syndrome due to adrenal hyperfunction and it the drug of choice for adrenocortical carcinoma. The object of this investigation is to study the biotransformation of o,p'-DDD and p,p'-DDD in dogs and bovine adrenal cortex to explain its selective toxicity and mechanism of action. The in vitro biotransformation of 14 C-labeled o,p'-DDD and p,p'-DDD by dog and bovine adrenal cortex as studied. Of the cortex subcellular fractions, the cytosol fraction was found to be the most active in metabolizing the substrates, followed by the mitochondrial fraction. This metabolism including that in cytosolic fractions, did not take place with boiled enzyme preparations and required an NADPH generating system. This study has been directed towards establishing the metabolic activation mechanism which may account for the adrenocorticolytic effect of mitotane in contrast to detoxication by the liver. HPLC and TLC metabolic profiles have been generated from incubations of bovine and dog adrenal cortex homogenates and their subfractions for 14 C-labeled p,p'-DDD, o,p'-DDD and its monochloroethylene derivative, o,p'-DDMU

  3. Investigations on cesium uranates and related compounds

    International Nuclear Information System (INIS)

    Egmond, A.B. van

    1976-01-01

    Crystal structures of cesium uranate are determined mainly by X-ray diffraction techniques. From phase studies it is concluded that of the Cs-U-O system, Cs 2 U 4 O 12 will play a prominent role in fuel elements of fast reactors due to fission product-fuel reactions causing swelling of the fuel and fuel-element failure. Crystal structures and lattice parameters are determined from Cs 2 U 4 O 12 , Cs 2 U 4 O 13 , Cs 2 U 5 O 16 , Cs 4 U 5 O 17 , Cs 2 U 7 O 22 , Cs 2 U 15 O 46 , Cs 2 UO 4 and Cs 2 U 2 O 7 . Finally some crystal structures of potassium and rubidium uranates are measured and a comparison of all available data on alkali uranates is made

  4. Device for collecting chemical compounds and related methods

    Science.gov (United States)

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

    2013-01-01

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

  5. Expatriate Compound Living: An Ethnographic Field Study

    DEFF Research Database (Denmark)

    Lauring, Jakob; Selmer, Jan

    2009-01-01

    In certain countries, closed expatriate compounds have developed.  They serve to provide resident expatriates and accompanying family members with a comfortable and safe environment. Unfortunately, not much is known about compound life since associated empirical research is scarce. Through...... ethnographic field-work methodology, including interviews and participant observation during a period of three months, this exploratory study investigated 16 Danish business expatriates of a large Danish corporation and their families living in the same compound in Saudi Arabia. They shared their spare time...... and the expatriates had the same working hours in the same subsidiary. Results show that a Danish national group was established and maintained. This in-group dominated life in the compound and at work it may have contributed to the perceptual bias and discriminatory behaviour demonstrated by the Danish expatriates...

  6. Microorganisms for efficient production of melatonin and related compounds

    DEFF Research Database (Denmark)

    2015-01-01

    Recombinant microbial cells and methods for producing 5HTP, melatonin and related compounds using such cells are described. More specifically, the recombinant microbial cell may comprise exogenous genes encoding one or more of an L-tryptophan hydroxylase, a 5- hydroxy-L-tryptophan decarboxylyase...

  7. Degradation studies of quizalofop-p and related compounds in soils using liquid chromatography coupled to low and high resolution mass analyzers.

    Science.gov (United States)

    López-Ruiz, Rosalía; Romero-González, Roberto; Martínez Vidal, José Luis; Fernández-Pérez, Manuel; Garrido Frenich, Antonia

    2017-12-31

    A comprehensive degradation study of quizalofop-p, quizalofop-p-ethyl, quizalofop-p-tefuryl and propaquizafop in soil samples have been firstly performed using ultra high performance liquid chromatography coupled to Orbitrap mass spectrometry (UHPLC-Orbitrap-MS). Thus, metabolites or degradation products, such as CHHQ (dihydroxychloroquinoxalin), CHQ (6-chloroquinoxalin-2-ol), PPA ((R)-2-(4-hydroxyphenoxy)propionic acid) and 2,3-dihydroxyquinoxaline were also monitored. An extraction procedure based on QuEChERS procedure was used. Acidified water (0.1M hydrochloric acid) and acidified acetonitrile (1% acetic acid, (v/v)) were used as extraction solvents, and magnesium sulfate and sodium chloride were used as salts. Dispersive solid phase extraction with C 18 as sorbent, was needed as a clean-up step. Several commercial products (Panarex®, Master-D® and Dixon®) were used to evaluate the degradation of the target compounds into their metabolites. The concentration of the main active substances (quizalofop-p-tefuryl, quizalofop-p-ethyl and propaquizafop) decreased during the degradation studies, whereas the concentration of quizalofop-p increased. Dissipation rates of half-live of quizalofop-p were also evaluated, and it was observed that this compound is easily degraded, obtaining values lower than 1day. Taking into account that quizalofop-p is the R enantiomer of quizalofop, a chiral separation was performed by liquid chromatography coupled to tandem mass spectrometry, concluding that in samples containing quizalofop-p-tefuryl, there was a 15% contribution from the S enantiomer and a 85% contribution from the R enantiomer. Metabolites such as PPA, CHHQ and CHQ were detected in soil samples after 15days of application commercial product at concentrations between the limits of detection (LOD) and the limits of quantification (LOQ). CHQ and CHHQ were detected at concentrations higher than the LOQ in samples after 50 and 80days of application, with their

  8. Analysis of flavor-related compounds from tabacco using SPME-GC-MS

    Energy Technology Data Exchange (ETDEWEB)

    Park, G.B.; Lee, S.G. [Korea Research Institute of Chemical Technology, Taejeon (Korea)

    2001-04-01

    The flavor-related compounds contained in tobacco were analyzed by selected ion monitoring (SIM) method using headspace SPME gas chromatography-mass spectrometry (GC-MS). Flavor-related compounds were estragole, pulegone, trans-anethole, safrole, piperonal, eugenol, methyleugenol, coumarin, trans-isoeugenol, trans-methyleugenol and myristicin More than one of the flavor-related compounds were detected in the range of 0.001-1.3 {mu}g/g from all brands of tobacco studied. The recovery was ranged from 89.1 to 102.9% and relative standard deviation was ranged from 2.6 to 25.2%. (author). 19 refs., 4 tabs., 2 figs.

  9. Mangiferin: a natural miracle bioactive compound against lifestyle related disorders

    OpenAIRE

    Imran, Muhammad; Arshad, Muhammad Sajid; Butt, Masood Sadiq; Kwon, Joong-Ho; Arshad, Muhammad Umair; Sultan, Muhammad Tauseef

    2017-01-01

    The current review article is an attempt to explain the therapeutic potential of mangiferin, a bioactive compound of the mango, against lifestyle-related disorders. Mangiferin (2-?-D-glucopyranosyl-1,3,6,7-tetrahydroxy-9H-xanthen-9-one) can be isolated from higher plants as well as the mango fruit and their byproducts (i.e. peel, seed, and kernel). It possesses several health endorsing properties such as antioxidant, antimicrobial, antidiabetic, antiallergic, anticancer, hypocholesterolemic, ...

  10. Electronic structure of magnesium diboride and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Paduani, C. [Departamento de Fisica, Universidade Federal de Santa Catarina, UFSC, Florianopolis, CEP 88040-900, SC (Brazil)

    2003-11-01

    The electronic structure of AlB{sub 2}-type diborides and related compounds has been investigated in first-principles calculations with the molecular cluster discrete variational method. For MgB{sub 2} was studied the effect of the lattice relaxation on the total density of states at the Fermi energy (N({epsilon}{sub F})). The results indicated that a contraction of about 2% in the lattice spacings a and c can lead to a slight increase of N({epsilon}{sub F}) for boron. In the MB{sub 2} diborides, M=Al, Ti, V, Cr, Zr, Nb, Mo and Ta, the largest contributions to N({epsilon}{sub F}) is observed for Cr, Mo and Nb. TiB{sub 2} possess the highest chemical stability in the series. The electronic specific heat coefficient {gamma} also is calculated for the diborides. The method is employed to obtain the partial B2p contribution to the total DOS at the Fermi level with the introduction of a monolayer of solute atoms as a substitution for Mg atoms of Na, Al, Ca, Ti, V, Cr, Zr, Nb, Mo and Ta in layered superstructures.. /M/B{sub 2}/Mg/B{sub 2}/.. A stronger covalent bonding between boron atoms is identified in these cases. (copyright 2003 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  11. Electronic structure of magnesium diboride and related compounds

    International Nuclear Information System (INIS)

    Paduani, C.

    2003-01-01

    The electronic structure of AlB 2 -type diborides and related compounds has been investigated in first-principles calculations with the molecular cluster discrete variational method. For MgB 2 was studied the effect of the lattice relaxation on the total density of states at the Fermi energy (N(ε F )). The results indicated that a contraction of about 2% in the lattice spacings a and c can lead to a slight increase of N(ε F ) for boron. In the MB 2 diborides, M=Al, Ti, V, Cr, Zr, Nb, Mo and Ta, the largest contributions to N(ε F ) is observed for Cr, Mo and Nb. TiB 2 possess the highest chemical stability in the series. The electronic specific heat coefficient γ also is calculated for the diborides. The method is employed to obtain the partial B2p contribution to the total DOS at the Fermi level with the introduction of a monolayer of solute atoms as a substitution for Mg atoms of Na, Al, Ca, Ti, V, Cr, Zr, Nb, Mo and Ta in layered superstructures.. /M/B 2 /Mg/B 2 /.. A stronger covalent bonding between boron atoms is identified in these cases. (copyright 2003 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  12. Magnetic resonance studies of intercalation compounds

    International Nuclear Information System (INIS)

    Miller, G.R.

    1990-01-01

    During the last three or four years, nearly tow hundred papers have been published that used NMR or ESR spectroscopy to study compounds formed by the intercalation of molecules or ions into the van der Waals gap of a layered hast compound. The host lattices have ranged from the simple, such as graphite, to the complex, such as clay. In many cases, magnetic resonance techniques now enable one to obtain quite detailed information on even fairly complex intercalated species, on the nature of the changes in the host lattice accompanying intercalation, and on the nature of the interactions between the intercalant species and the host lattice. Magnetic resonance is used in conunction with many other techniques to obtain a fuller picture of these interesting systems, but this review will limit its focus to the use of NMR and ESR techniques. (author). 51 refs

  13. Structural studies of naturally occurring toxicogenic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Springer, J. P.

    1977-10-01

    The paralytic shellfish poison (PSP), saxitoxin, is a neurotoxin isolated from Alaska butter clams (Saxidomus giganteus), mussels (Mytilus californianus) and axenic cultures of the dinoflagellate Gonyaulax catenella. The structure of saxitoxin has been determined through the use of single crystal X-ray diffraction. It possesses a unique tricyclic arrangement of atoms containing two guanidinium moieties and also a hydrated ketone. The relative stereochemistry is presented as well as the absolute configuration. The chemical constitution of a tremorgenic metabolite, paxilline, isolated from extracts of the fungus Penicillium paxilli Bainier has been determined. Paxilline represents a previously unreported class of natural compounds formed by the combination of tryptophan and mevalonate subunits. The complete stereostructure of two other fungal metabolites, paspaline and paspalicine, closely related to paxilline but isolated from Claviceps paspali Stammes have also been determined and are presented. The stereochemistries of paxilline, paspaline and paspalicine are identical at corresponding chiral centers.

  14. Study of the CMR compounds in hazardous wastes

    International Nuclear Information System (INIS)

    Chollot, A.

    2007-01-01

    In order to limit the exposure of workers to carcinogenic, mutagen and reproduction-toxic compounds (CMR) and to optimize the safety needs in the field of hazardous industrial wastes, the INRS has decided to complete its knowledge in doing a sectorial inquiry titled 'study of the CMR compounds contained in wastes'. This study allows to obtain data relative to hazardous wastes and to the presence of CMR compounds into these hazardous wastes. The first part of this study gives the methodology used for doing this inquiry. The results, gathered in databases, are presented in tables and in synthetic schemes. The last part gives operational propositions it could be important to adopt to improve and/or to develop safety approaches adapted to the CMR risk and, particularly the transfer of the good data to workers. (O.M.)

  15. Potential antipsychotic agents. 7. Synthesis and antidopaminergic properties of the atypical highly potent (S)-5-bromo-2,3-dimethoxy-N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide and related compounds. A comparative study.

    Science.gov (United States)

    Högberg, T; de Paulis, T; Johansson, L; Kumar, Y; Hall, H; Ogren, S O

    1990-08-01

    (S)-5-Bromo-2,3-dimethoxy-N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide (6) and some related compounds, i.e. the R isomer 7, the 3-hydroxy analogue 8, the desbromo derivative 9, the monomethoxy compound 10, and the 2,4-dimethoxy analogue 11, have been synthesized from the corresponding benzoic acids. The benzamides, lacking o-hydroxy groups, were evaluated for their affinity for the [3H]spiperone binding site and for their inhibition of apomorphine-induced behavioral responses in relation to the effect of the corresponding salicylamides. Besides the 2-hydroxy-3-methoxybenzamide 12 and the related 1,4-benzodioxane (13) and 2,3-dihydrobenzofuran (14), carboxamides were investigated in order to evaluate the stereoelectronic requirements on the 2-methoxy group for the receptor interaction. The study supports the view that the o-methoxy group may adopt coplanar, as well as perpendicular orientations, and maintain the intramolecular hydrogen bonding required in the bioactive conformation. The benzamide 6 was found to be equipotent with the analogous highly active salicylamide 3 (FLB 463) both in vitro and in vivo. In addition, 6 displayed a preferential inhibition of the hyperactivity component of the behavioral syndrome, which is regarded to indicate a low tendency to induce extrapyramidal side effects in man at antipsychotically effective doses. The benzamide class of compounds (6-10) were found to be somewhat more sensitive to the structural modifications than the salicylamide class, i.e. the o-hydroxy-substituted benzamides (2-5). The potent and selective benzamide 6 (FLB 457) is highly suitable for investigations of dopamine D-2 mediated responses and, in radiolabeled form, for receptor binding studies in vitro and in vivo.

  16. Relational vs. attributive interpretation of nominal compounds differentially engages angular gyrus and anterior temporal lobe.

    Science.gov (United States)

    Boylan, Christine; Trueswell, John C; Thompson-Schill, Sharon L

    2017-06-01

    The angular gyrus (AG) and anterior temporal lobe (ATL) have been found to respond to a number of tasks involving combinatorial processing. In this study, we investigate the conceptual combination of nominal compounds, and ask whether ATL/AG activity is modulated by the type of combinatorial operation applied to a nominal compound. We compare relational and attributive interpretations of nominal compounds and find that ATL and AG both discriminate these two types, but in distinct ways. While right AG demonstrated greater positive task-responsive activity for relational compounds, there was a greater negative deflection in the BOLD response in left AG for relational compounds. In left ATL, we found an earlier peak in subjects' BOLD response curves for attributive interpretations. In other words, we observed dissociations in both AG and ATL between relational and attributive nominal compounds, with regard to magnitude in the former and to timing in the latter. These findings expand on prior studies that posit roles for both AG and ATL in conceptual processing generally, and in conceptual combination specifically, by indicating possible functional specializations of these two regions within a larger conceptual knowledge network. Copyright © 2017 Elsevier Inc. All rights reserved.

  17. TDPAC study of complex structure semiconductor compounds

    International Nuclear Information System (INIS)

    Shitu, J.; Renteria, M.; Massolo, C.P.; Bibiloni, A.G.; Desimoni, J.

    1992-01-01

    In this paper, a new method for analyzing Time-Differential Perturbed Angular Correlation spectra is presented and applied to study the hyperfine interaction of 100 Rh in the high temperature modification of niobium pentoxide. The measured quadrupole interactions are assigned to about 80% of the radioactive probes replacing niobium atoms in the lattice and about 20% located in perturbed sites. The origin of this perturbation, producing a high frequency component in the measured spectra is discussed and temptatively assigned to remaining radiation damage in the compound. The hyperfine interaction of 111 Cd probes, introduced through thermal diffusion into niobium pentoxide, is also presented. The temperature dependence of the hyperfine parameters in this case is studied in the temperature range RT-800 degrees C. The spectral analyzing method employed allows a direct comparison of experimental data with point charge model calculations and a simultaneous evaluation of the anti-shielding factor β. The obtained values (27 for 100 Rh and 15 for 111 Cd) are discussed in terms of the compound and probe's characteristics

  18. TDPAC study of complex structure semiconductor compounds

    International Nuclear Information System (INIS)

    Shitu, J.; Renteria, M.; Massolo, C.P.; Bibiloni, A.G.; Desimonni, J.

    1992-01-01

    In this paper, a new method for analyzing Time-Differential Perturbed Angular Correlation spectra is presented and applied to study the hyperfine interaction of 100 Rh in the high temperature modification of niobium pentoxide. The measured quadrupole interactions are assigned to about 80% of the radioactive probes replacing niobium atoms in the lattice and about 20% located in perturbed sites. The origin of this perturbation, producing a high frequency component in the measured spectra is discussed and temptatively assigned to remaining radiation damage in the compound. The hyperfine interaction of 111 Cd probes, introduced through thermal diffusion into niobium pentoxide, is also presented. The temperature dependence of the hyperfine parameters in this case is studied in the temperature range RT-800 degrees C. The spectral analyzing method employed allows a direct comparison of experimental data with point charge model calculations and a simultaneous evaluation of the antishielding factor β. The obtained values (27 for 100 Rh and 15 for 111 Cd) are discussed in terms of the compound and probe's characteristics

  19. General study of pyridazine compounds against cyclooxygenase enzyme and their relation with analgesic, anti-inflammatory and anti-arthritic activities

    Directory of Open Access Journals (Sweden)

    Mohammad Asif

    2010-01-01

    Full Text Available There is increased focus on developed non-steroidal anti-inflammatory drugs (NSAIDs containing a pyridazine nucleus. The NSAIDs are one of the most commonly used medications worldwide to inhibit cyclooxygenase (COX-1 and COX-2 enzyme in varying extent by inhibiting prostaglandin (PGEs synthesis for the treatment of pain, inflammation, arthritis and edema. Their routine and long-term use causes gastrointestinal (GIT and renal toxicities. In order to minimize these side-effects, selective COX-2 inhibitors are prepared with an improved GIT and renal safety profile relative to other NSAIDs. The recent development toward the effective NSAIDs agents causes dual COX and lipooxygenase inhibitory effects because COX-2 inhibitors cause cardiovascular problems. The literature stimulated these above findings. Our attention has been focused on the series of pyridazine or other derivatives that were reported or will be reported in the future as anti-inflammatory, analgesic, anti-arthritic as well as anti-edemic agent.

  20. Fig volatile compounds--a first comparative study.

    Science.gov (United States)

    Grison-Pigé, Laure; Hossaert-McKey, Martine; Greeff, Jaco M; Bessière, Jean-Marie

    2002-09-01

    We analysed the compounds of volatile blends released by receptive figs of twenty Ficus species to attract their specific pollinating wasps. In all, 99 different compounds were identified. The compounds are mainly terpenoids, aliphatic compounds and products from the shikimic acid pathway. In each species blend, there are few major compounds, which are generally common among floral fragrances. Most species blends also include rare compounds, but generally their proportion in the blend is low. A possible basis for species-specificity of Ficus-wasp interactions is discussed in relation to the patterns of volatiles found in this interspecies comparison. Copyright 2002 Elsevier Science Ltd.

  1. Study of the radiation effects on nucleic acids and related compounds. Three year progress report, 15 August 1972--14 August 1975

    International Nuclear Information System (INIS)

    Wang, S.Y.

    1975-01-01

    Research in this project has proceeded with the chemical objective of isolating and characterizing radiation products and with the biological objective of determining the action of reactive radiation products on and in biological systems. Study has also been made on the simulation of γ radiation by various photochemical reaction conditions. Progress is reported in the chemical studies on the isolation and characterization of thymine glycols, isolation and characterization of glycols of 1-carbamylimidazolidone as products of cytosine, identification of the major hydroperoxy thymine (T 6 OOH), attempted synthesis of the nucleoside and nucleotide of T 6 OOH, and synthesis and characterization of 5-hydroperoxy-methyluracil. Progress is reported in the biological studies on the effects of T 6 OOH on nucleic acid components, on C--N glycosidic bonds, as a chemical mutagen, on the chromosomes of cells, and as a potential synergist of ionizing radiation. The photoproducts of uracil, cytosine, thymine, and thymidine that have been isolated and characterized are tabulated. (U.S.)

  2. Meat and meat-related compounds and risk of prostate cancer in a large prospective cohort study in the United States.

    Science.gov (United States)

    Sinha, Rashmi; Park, Yikyung; Graubard, Barry I; Leitzmann, Michael F; Hollenbeck, Albert; Schatzkin, Arthur; Cross, Amanda J

    2009-11-01

    The authors examined associations between meat consumption (type, cooking method, and related mutagens), heme iron, nitrite/nitrate, and prostate cancer in a cohort of 175,343 US men aged 50-71 years. During 9 years of follow-up (1995-2003), they ascertained 10,313 prostate cancer cases (1,102 advanced) and 419 fatal cases. Hazard ratios comparing the fifth intake quintile with the first revealed elevated risks associated with red and processed meat for total (red meat: hazard ratio (HR) = 1.12, 95% confidence interval (CI): 1.04, 1.21; processed meat: HR = 1.07, 95% CI: 1.00, 1.14) and advanced (red meat: HR = 1.31, 95% CI: 1.05, 1.65; processed meat: HR = 1.32, 95% CI: 1.08, 1.61) prostate cancer. Heme iron, barbecued/grilled meat, and benzo[a]pyrene were all positively associated with total (HR = 1.09 (95% CI: 1.02, 1.17), HR = 1.11 (95% CI: 1.03, 1.19), and HR = 1.09 (95% CI: 1.00, 1.18), respectively) and advanced (HR = 1.28 (95% CI: 1.03, 1.58), HR = 1.36 (95% CI: 1.10, 1.69), and HR = 1.28 (95% CI: 1.00, 1.65), respectively) disease. Nitrite (HR = 1.24, 95% CI: 1.02, 1.51) and nitrate (HR = 1.31, 95% CI: 1.07, 1.61) intakes were associated with advanced prostate cancer. There were no clear associations for fatal prostate cancer. Red and processed meat may be positively associated with prostate cancer via mechanisms involving heme iron, nitrite/nitrate, grilling/barbecuing, and benzo[a]pyrene.

  3. Instant detection and identification of concealed explosive-related compounds: Induced Stokes Raman versus infrared.

    Science.gov (United States)

    Elbasuney, Sherif; El-Sherif, Ashraf F

    2017-01-01

    The instant detection of explosives and explosive-related compounds has become an urgent priority in recent years for homeland security and counter-terrorism applications. Modern techniques should offer enhancement in selectivity, sensitivity, and standoff distances. Miniaturisation, portability, and field-ruggedisation are crucial requirements. This study reports on instant and standoff identification of concealed explosive-related compounds using customized Raman technique. Stokes Raman spectra of common explosive-related compounds were generated and spectrally resolved to create characteristic finger print spectra. The scattered Raman emissions over the band 400:2000cm -1 were compared to infrared absorption using FTIR. It has been demonstrated that the two vibrational spectroscopic techniques were opposite and completing each other. Molecular vibrations with strong absorption in infrared (those involve strong change in dipole moments) induced weak signals in Raman and vice versa. The tailored Raman offered instant detection, high sensitivity, and standoff detection capabilities. Raman demonstrated characteristic fingerprint spectra with stable baseline and sharp intense peaks. Complete correlations of absorption/scattered signals to certain molecular vibrations were conducted to generate an entire spectroscopic profile of explosive-related compounds. This manuscript shades the light on Raman as one of the prevailing technologies for instantaneous detection of explosive-related compounds. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.

  4. The potential of materials analysis by electron rutherford backscattering as illustrated by a case study of mouse bones and related compounds.

    Science.gov (United States)

    Vos, Maarten; Tökési, Károly; Benkö, Ilona

    2013-06-01

    Electron Rutherford backscattering (ERBS) is a new technique that could be developed into a tool for materials analysis. Here we try to establish a methodology for the use of ERBS for materials analysis of more complex samples using bone minerals as a test case. For this purpose, we also studied several reference samples containing Ca: calcium carbonate (CaCO(3)) and hydroxyapatite and mouse bone powder. A very good understanding of the spectra of CaCO(3) and hydroxyapatite was obtained. Quantitative interpretation of the bone spectrum is more challenging. A good fit of these spectra is only obtained with the same peak widths as used for the hydroxyapatite sample, if one allows for the presence of impurity atoms with a mass close to that of Na and Mg. Our conclusion is that a meaningful interpretation of spectra of more complex samples in terms of composition is indeed possible, but only if widths of the peaks contributing to the spectra are known. Knowledge of the peak widths can either be developed by the study of reference samples (as was done here) or potentially be derived from theory.

  5. The potential of materials analysis by electron Rutherford backscattering as illustrated by a case study of mouse bones and related compounds

    International Nuclear Information System (INIS)

    Vos, M.; Toekesi, K.; Benkoe, I.

    2012-01-01

    Complete text of publication follows. Electron Rutherford backscattering (ERBS) has a number of distinct advantages for semi-quantitative analysis of samples. These are for example: a) Its high energy makes it rather insensitive to surface effects. b) The peaks appear well approximated by Gaussian with no obvious problems due to background subtraction. c) All the electrons involved have very similar kinetic energy, and hence one does not need to consider changes of the mean-free path or the analyzer transmission function. d) There are no intrinsic satellites to complicate the quantitative interpretation. On the other hand ERBS has a weak point, peaks tend to overlap. Peak separation is proportional to the incoming energy E0, but the intrinsic peak width increases proportional to the square root of E 0 . In practice one has to live with overlapping peaks. In the present work we mainly focus on the measurement and analysis procedure, and compare our best estimate of the concentration of the various elements in mouse bone with that obtained in a recent paper. The promise of ERBS as an analytical technique is clear from the successful analysis of the simple case of calcium carbonate and the somewhat more complicated case of hydroxyapatite. Here agreement between the measured and actual composition are on a very respectable 10% level. The actual bone sample showed more variation in outcome and a somewhat less satisfactory agreement between experiment and theory (see Fig. 1). The variation in outcome between the different measurements can be due to the fact that we average over very few grains, and that the grain composition will vary somewhat with its original position in the bone. In summary, ERBS can become a useful tool to study bone mineralization. As our knowledge of bone mineralization is incomplete this is currently an active topic of multidisciplinary research involving people working in physics, chemistry and biological/medical sciences. One of the important

  6. Cryoscopic studies in molten salts: dissociation of some alkali isopolymolybdates and some related molybdenum(VI) compounds in molten potassium dichromate and potassium nitrate

    International Nuclear Information System (INIS)

    Hassanein, M.; Youssef, N.S.

    1982-01-01

    The dissociation of the solutes, viz. M 2 MoO 4 , M 2 MO 3 O 10 , M 2 Mo 4 O 13 , M 2 Mo 5 O 16 (M = Rb or Cs), Na 2 CrO 4 .MoO 3 , K 2 CrO 4 .2MoO 3 , Cr 2 Mo 3 O 12 and V 2 MoO 8 in molten K 2 Cr 2 O 7 and KNO 3 as solvents has been studied employing cryoscopic method. The values of number of foreign ions (ν) show that all the solutes, except V 2 MoO 8 , are either simply dissociated in the melt, or, in some cases after dissociation undergo rearrangement to heteropolyions of the type (CrMo 2 O 10 ) 2- . The solute V 2 MoO 8 , dissolves without any apparent dissociation. An agreement between the experimental and calculated values of activity (a) based on the Temkin and random mixing models and that of Vant Hoff's equation support the proposed simple dissociation scheme for K 2 Cr 2 O 7 -Cs 2 MoO 4 system. (author)

  7. Simultaneous measurement of proline and related compounds in oak leaves by high-performance ligand-exchange chromatography and electrospray ionization mass spectrometry for environmental stress studies.

    Science.gov (United States)

    Oufir, Mouhssin; Schulz, Nadine; Sha Vallikhan, Patan Shaik; Wilhelm, Eva; Burg, Kornel; Hausman, Jean-Francois; Hoffmann, Lucien; Guignard, Cedric

    2009-02-13

    A mass spectrometer was coupled to high-performance ligand-exchange liquid chromatography (HPLEC) for simultaneous analysis of stress associated solutes such as proline, hydroxyproline, methylproline, glycine betaine and trigonelline extracted from leaves of drought stressed oaks and an internal standard namely N-acetylproline. Methanol/chloroform/water extracts were analyzed using an Aminex HPX-87C column and specifically quantified by the positive ion mode of an electrospray ionisation-mass spectrometry (ESI-MS) in single ion monitoring (SIM) mode. The recovery of N-acetyl proline added to oak leaf extracts ranged from 85.2 to 122.1% for an intra-day study. Standard calibration curves showed good linearity in the measured range from 0.3125 to 10micromolL(-1) with the lowest correlation coefficient of 0.99961 for trigonelline. The advantages of this alternative procedure, compared to previously published methods using fluorescence or amperometric detections, are the simultaneous and direct detection of osmoprotectants in a single chromatographic run, a minimal sample preparation, a good specificity and reduced limits of quantification, ranging from 0.1 to 0.6micromolL(-1). Fifty-six days of water deficit exposure resulted in increased foliar free proline levels (2.4-fold, P<0.001, 155micromolg(-1) FW) and glycine betaine contents (2.5-fold, P<0.05, 175micromolg(-1) FW) of drought stressed oak compared to control.

  8. Raman scattering study of filled skutterudite compounds

    International Nuclear Information System (INIS)

    Ogita, N; Kojima, R; Hasegawa, T; Takasu, Y; Udagawa, M; Kondo, T; Takeda, N; Ikeno, T; Ishikawa, K; Sugawara, H; Kikuchi, D; Sato, H; Sekine, C; Shirotani, I

    2007-01-01

    Raman scattering of skutterudite compounds RT 4 X 12 (R=La, Ce, Pr, Nd, Sm and Yb, T=Fe, Ru and Os, X=P and Sb) have been measured. All first-order Raman active phonons are observed and are assigned as the pnicogen vibrations. At the low energy region, the second-order phonons, due to the vibration of the rare earth ions with a flat phonon dispersion, are observed in the spectra of RRu 4 P 12 (R=La and Sm) and ROs 4 Sb 12 (R=La, Ce, Pr, Nd, and Sm). The appearance of the second-order phonons in the spectra is caused by an anharmonic vibrations of rare earth ions in large cage space and a large density of state due to the flat phonon dispersion. However, in spite of the similar cage space, the 2nd-order phonons are hardly observed for RFe 4 Sb 12 and RRu 4 Sb 12 . Thus, these results suggest that the dynamics of the rare earth ion is closely related to not only the cage size but also the electronic state due to the transition metals. Raman spectra of PrRu 4 P 12 show the drastic spectral change due to the metal-insulator transition. The phonon spectra and crystal field excitations due to the structural change have been assigned above and below the transition temperature

  9. Polymers containing borane or carborane cage compounds and related applications

    Science.gov (United States)

    Bowen, III, Daniel E.; Eastwood, Eric A [Raymore, MO

    2012-06-05

    Polymers comprising residues of borane and/or carborane cage compound monomers having at least one polyalkoxy silyl substituent. Such polymers can further comprise one or more reactive matrices and/or co-monomers covalently bound with the cage compound monomer residues. Methods of making and applications for using such polymers are also disclosed.

  10. Thermodynamic stability studies of Ce-Sb compounds with Fe

    Science.gov (United States)

    Xie, Yi; Zhang, Jinsuo; Benson, Michael T.; Mariani, Robert D.

    2018-02-01

    Lanthanide fission products can migrate to the fuel periphery and react with cladding, causing fuel-cladding chemical interaction (FCCI). Adding a fuel additive dopant, such as Sb, can bind lanthanide, such as Ce, into metallic compounds and thus prevent migration. The present study focuses on the thermodynamic stability of Ce-Sb compounds when in contact with the major cladding constituent Fe by conducting diffusion couple tests. Ce-Sb compounds have shown high thermodynamic stability as they did not react with Fe. When Fe-Sb compounds contacted with Ce, Sb was separated out of Fe-Sb compounds and formed the more stable Ce-Sb compounds.

  11. New Approach for Fractioning Metal Compounds Studies in Soils

    Science.gov (United States)

    Minkina, Tatiana; Motuzova, Galina; Mandzhieva, Saglara; Bauer, Tatiana; Burachevskaya, Marina; Sushkova, Svetlana; Nevidomskaya, Dina; Kalinitchenko, Valeriy

    2016-04-01

    A combined approach for fractioning metal compounds in soils on the basis of sequential (Tessier, 1979) and parallel extractions (1 N NH4Ac, pH 8; 1% EDTA in NH4Ac; and 1N HCl) is proposed. Metal compounds in sequential and parallel extracts are grouped according to the strength of their bonds with soil components. A given group includes metal compounds with similar strengths of bonds and, hence, with similar migration capacities. The groups of firmly and loosely bound metal compounds can be distinguished. This approach has been used to assess the group composition of Zn, Cu, and Pb compounds in an ordinary chernozem and its changes upon the soil contamination with metals. Contamination of an ordinary chernozem from Rostov oblast with heavy metals caused a disturbance of the natural ratios between the metal compounds. In the natural soil, firmly bound metals predominate (88-95%of the total content), which is mainly caused by the fixation of metals in lattices of silicate minerals (56-83%of the total content). The mobility of the metals in the natural soil is low (5-12%) and is mainly related to metal compounds loosely bound with the soil carbonates. Upon the soil contamination with metals (application rates of 100-300 mg/kg), the content of all the metal compounds increases, but the ratio between them shifts towards a higher portion of the potentially mobile metal compounds (up to 30-40% of the bulk contents of the metals). Organic substances and non-silicate Fe, Al, and Mn minerals become the main carriers of the firmly and loosely bound metals. The strengths of their bonds with Cu, Pb, and Zn differ. Lead in the studied chernozems is mainly fixed in a loosely bound form with organic matter, whereas copper and zinc are fixed both by the organic matter and by the non-silicate Fe, Al, and Mn compounds. Firm fixation of the applied Cu and Pb is mainly ensured by the soil organic matter and non-silicate minerals, whereas firm fixation of Zn is mainly due to non

  12. Separation methods for acyclovir and related antiviral compounds.

    Science.gov (United States)

    Loregian, A; Gatti, R; Palù, G; De Palo, E F

    2001-11-25

    Acyclovir (ACV) is an antiviral drug, which selectively inhibits replication of members of the herpes group of DNA viruses with low cell toxicity. Valaciclovir (VACV), a prodrug of ACV is usually preferred in the oral treatment of viral infections, mainly herpes simplex virus (HSV). Also other analogues such as ganciclovir and penciclovir are discussed here. The former acts against cytomegalovirus (CMV) in general and the latter against CMV retinitis. The action mechanism of these antiviral drugs is presented briefly here, mainly via phosphorylation and inhibition of the viral DNA polymerase. The therapeutic use and the pharmacokinetics are also outlined. The measurement of the concentration of acyclovir and related compounds in biological samples poses a particularly significant challenge because these drugs tend to be structurally similar to endogenous substances. The analysis requires the use of highly selective analytical techniques and chromatography methods are a first choice to determine drug content in pharmaceuticals and to measure them in body fluids. Chromatography can be considered the procedure of choice for the bio-analysis of this class of antiviral compounds, as this methodology is characterised by good specificity and accuracy and it is particularly useful when metabolites need to be monitored. Among chromatographic techniques, the reversed-phase (RP) HPLC is widely used for the analysis. C18 Silica columns from 7.5 to 30 cm in length are used, the separation is carried out mainly at room temperature and less than 10 min is sufficient for the analysis at 1.0-1.5 ml/min of flow-rate. The separation methods require an isocratic system, and various authors have proposed a variety of mobile phases. The detection requires absorbance or fluorescence measurements carried out at 250-254 nm and at lambdaex=260-285 nm, lambdaem=375-380 nm, respectively. The detection limit is about 0.3-10 ng/ml but the most important aspect is related to the sample treatment

  13. Screening plant derived dietary phenolic compounds for bioactivity related to cardiovascular disease.

    Science.gov (United States)

    Croft, Kevin D; Yamashita, Yoko; O'Donoghue, Helen; Shirasaya, Daishi; Ward, Natalie C; Ashida, Hitoshi

    2018-04-01

    The potential health benefits of phenolic acids found in food and beverages has been suggested from a number of large population studies. However, the mechanism of how these compounds may exert biological effects is less well established. It is also now recognised that many complex polyphenols in the diet are metabolised to simple phenolic acids which can be taken up in the circulation. In this paper a number of selected phenolic compounds have been tested for their bioactivity in two cell culture models. The expression and activity of endothelial nitric oxide synthase (eNOS) in human aortic endothelial cells and the uptake of glucose in muscle cells. Our data indicate that while none of the compounds tested had a significant effect on eNOS expression or activation in endothelial cells, several of the compounds increased glucose uptake in muscle cells. These compounds also enhanced the translocation of the glucose transporter GLUT4 to the plasma membrane, which may explain the observed increase in cellular glucose uptake. These results indicate that simple cell culture models may be useful to help understand the bioactivity of phenolic compounds in relation to cardiovascular protection. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Improvements in or relating to calcining reducible compounds

    International Nuclear Information System (INIS)

    Cole, E.A.; Peterson, R.S.

    1974-01-01

    Apparatus is described for calcining compounds of uranium compounds to temperatures of up to about 1000 0 C to produce UO 2 powders of uniform quality and having an oxygen content of less than 2.2 atoms of oxygen per atom of uranium. The apparatus comprises discharge and cooling means having an inlet end operatively joined with an air tight seal to a rotating Kiln to receive hot UO 2 powder therefrom without contact with air. (author)

  15. Antimutagenic effect of isocyanates and related compounds in escherichia coli

    International Nuclear Information System (INIS)

    Kawazoe, Yutaka; Kato, Masanari

    1982-01-01

    Isocyanates and isothiocyanates have been suggested to inactivate enzymes involved in the metabolic activation of chemical carcinogens and the repair of DNA damage. These compounds decrease the mutability of a tester strain of Escherichia coli B under UV irradiation. This paper deals with the antimutagenicity of acylating agents, including isocyanates and isothiocyanates, and some anti-oxidants which are suspected to be anticarcinogenic. The results can be summarized as follows. (1) The antimutagenic effect observed in the present study operates on UV-induced mutagenesis but not on X-ray-induced mutagenesis. (2) This effect operates only on the wild-type strain, H/r30R, but not on Hs30R deficient in the excision repair system. (3) This effect may function through giving the irradiated cells a greater chance to carry out excision repair by prolonging the lag-period before entry into the S-phase. (4) The carbamoylating ability of isocyanates and isothiocyanates may be responsible for the antimutagenicity, but other type of reactivities may also be involved. These antimutagens also participate in inactivating enzymes relevant to the metabolic activation of mutagens, resulting in a decrease in the frequency of chemically induced mutagenesis. (author)

  16. Moessbauer study of the YFe3 compound

    International Nuclear Information System (INIS)

    Fisher, W.G.; Kuzmin, R.N.; Vardapetyan, R.P.

    1975-01-01

    Nuclear Gamma Recoilless Resonance measurement was carried out on iron sites in the YFe 3 compound at 80 and 295 K to obtain information on the iron sublattice in the absence of rare-earth magnetic moment. The results of the measurement are reported. (Z.S.)

  17. Quantum chemical studies of estrogenic compounds

    Science.gov (United States)

    Quantum chemical methods are potent tools to provide information on the chemical structure and electronic properties of organic molecules. Modern computational chemistry methods have provided a great deal of insight into the binding of estrogenic compounds to estrogenic receptors (ER), an important ...

  18. Compound nucleus studies withy reverse kinematics

    International Nuclear Information System (INIS)

    Moretto, L.G.

    1985-06-01

    Reverse kinematics reactions are used to demonstrate the compound nucleus origin of intermediate mass particles at low energies and the extension of the same mechanism at higher energies. No evidence has appeared in our energy range for liquid-vapor equilibrium or cold fragmentation mechanisms. 11 refs., 12 figs

  19. Current knowledge of soft cheeses flavor and related compounds.

    Science.gov (United States)

    Sablé, S; Cottenceau, G

    1999-12-01

    Cheese aroma is the result of the perception of a large number of molecules belonging to different chemical classes. The volatile compounds involved in the soft cheese flavor have received a great deal of attention. However, there has been less work concerning the volatile compounds in the soft smear-ripened cheeses than in the mold-ripened cheeses. This paper reviews the components that contribute to the characteristic flavor in the soft cheeses such as surface-ripened, Camembert-type, and Blue cheeses. The sensory properties and quantities of the molecules in the different cheeses are discussed.

  20. Metabolism of arachidonic acid derivatives (prostaglandins and related compounds). Radioimmunological methods to measure certain of these compounds

    International Nuclear Information System (INIS)

    Sors, Herve.

    1978-06-01

    The detection of prostaglandins, present in tissues at concentrations of about 10 -7 to 10 -11 g/g and able to induce physiological effects at concentrations of the picomole order, sets the analyst a particularly difficult problem. Owing to the complexity of their metabolism, the existence of many structurally similar compounds and the low concentrations present, it is necessary to develop highly specific and sensitive methods. Suitable techniques are: the biological activity test or biotest; gas-liquid chromatogaphy combined with mass spectrometry; the radioimmunological method. The radioimmunological analysis procedure is developed: preparation of immunogens and immunisation; preparation of tracers; treatment of biological samples. The different radioimmunological systems are presented: determination of antiserum affinity constants; dose-response curves and sensitivities; specificities; applications to biological measurements. Some remarks are called for concerning the RIA of prostaglandins: the difficulty of obtaining antisera seems to depend on the nature of the PG, a good anti-PGB or PGFα is easier to get than an anti-PGA or PGE. The analysis of each compound implies the use of a corresponding immunoserum and it is therefore essential to have a range of immunosera in order to study as large a number of biosynthesis derivatives as possible; too many physiological investigations are still viewed in relation to one PG only (often a primary PG) at the expense of other derivatives [fr

  1. Relational Discrimination by Pigeons in a Go/No-Go Procedure with Compound Stimuli: A Methodological Note

    Science.gov (United States)

    Campos, Heloisa Cursi; Debert, Paula; Barros, Romariz da Silva; McIlvane, William J.

    2011-01-01

    A go/no-go procedure with compound stimuli typically establishes emergent behavior that parallels in structure and typical outcome that of conventional tests for symmetric, transitive, and equivalence relations in normally capable adults. The present study employed a go/no-go compound stimulus procedure with pigeons. During training, pecks to…

  2. Determination of ferulic acid and related compounds by thin layer ...

    African Journals Online (AJOL)

    The analysis of certain phenolic compounds from plants, and their chemical transformation with microorganisms or isolated enzymes, has application in the food and pharmaceutical industry. The rapid quantitative estimation of ferulic acid by thin layer chromatography is described by measurement of the area of the ...

  3. Biochemical studies on certain biologically active nitrogenous compounds

    International Nuclear Information System (INIS)

    Abdel kader, S.M.; El Sayed, M.M.; El Malt, E.A.; Shaker, E.S.; Abdel Aziz, H.G.

    2010-01-01

    Certain biologically active nitrogenous compounds such as alkaloids are widely distributed in many wild and medicinal plants such as peganum harmala L. (Phycophyllaceae). However, less literature cited on the natural compounds was extracted from the aerial parts of this plant; therefore this study was conducted on harmal leaves using several solvents. Data indicated that methanol extract was the inhibitoriest effect against some pathogenic bacteria, particularly Streptococcus pyogenus. Chromatographic separation illustrated that presence of four compounds; the most active one was the third compound (3). Elementary analysis (C, H, N) revealed that the primary chemical structure of the active antibacterial compound (C3) was: C17 H21 N3 O7 S with molecular weight 411. Spectroscopic analysis proved that coninical structure was = 1- thioformyl, 8?- D glucoperanoside- Bis- 2, 3 dihydroisopyridino pyrrol. This new compound is represented as a noval ?- carboline alkaloid compound

  4. Alterations in the energy budget of Arctic benthic species exposed to oil-related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Olsen, Gro Harlaug [Akvaplan-niva, Polar Environmental Center, N-9296 Tromso (Norway) and Norwegian College of Fishery Science, University of Tromso, N-9037 Tromso (Norway)]. E-mail: gho@akvaplan.niva.noph; Sva, Eirin [Akvaplan-niva, Polar Environmental Center, N-9296 Tromso (Norway); Carroll, JoLynn [Akvaplan-niva, Polar Environmental Center, N-9296 Tromso (Norway); Camus, Lionel [Akvaplan-niva, Polar Environmental Center, N-9296 Tromso (Norway); De Coen, Wim [Laboratory for Ecophysiology, Biochemistry and Toxicology, University of Antwerp (UA), Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Smolders, Roel [Laboratory for Ecophysiology, Biochemistry and Toxicology, University of Antwerp (UA), Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Environmental Toxicology, VITO, Boeretang 200, B-2400 Mol (Belgium); Overaas, Helene [Norwegian Institute for Water Research (NIVA), CIENS, Gaustadalleen, N-0316 Oslo (Norway); Multiconsult AS, Hoffsveien 1, N-0275 Oslo (Norway); Hylland, Ketil [Norwegian Institute for Water Research (NIVA), CIENS, Gaustadalleen, N-0316 Oslo (Norway); Department of Biology, University of Oslo, P.O. Box 1066, Blindern, N-0316 Oslo (Norway)

    2007-06-15

    We studied cellular energy allocation (CEA) in three Arctic benthic species (Gammarus setosus (Amphipoda), Onisimus litoralis (Amphipoda), and Liocyma fluctuosa (Bivalvia)) exposed to oil-related compounds. The CEA biomarker measures the energy budget of organisms by biochemically assessing changes in energy available (carbohydrates, protein and lipid content) and the integrated energy consumption (electron transport system activity (ETS) as the cellular aspect of respiration). Energy budget was measured in organisms subjected to water-accommodated fraction (WAF) of crude oil and drill cuttings (DC) to evaluate whether these compounds affect the energy metabolism of the test species. We observed significantly lower CEA values and higher ETS activity in G. setosus subjected to WAF treatment compared to controls (p {<=} 0.03). Higher CEA value and lower cellular respiration were observed in O. litoralis exposed to DC compared to controls (p = 0.02). No difference in the energy budget of L. fluctuosa was observed between the treatments (p {>=} 0.19). Different responses to oil-related compounds between the three test species are likely the result of differences in feeding and burrowing behavior and species-specific sensitivity to petroleum-related compounds.

  5. Oral cadmium chloride intoxication in mice: Effects of penicillamine, dimercaptosuccinic acid and related compounds

    International Nuclear Information System (INIS)

    Andersen, O.; Nielsen, J.B.

    1988-01-01

    The antidotal efficacies of chelators during acute cadmium intoxication has previously been examined in experiments where both a soluble cadmium salt and the chelator were administered parenterally. In the present study, PA, DMSA and related compounds were studied as oral antidotes during oral CdCl 2 intoxication. According to the antagonistic effects noted on mortality, peristaltic toxicity and intestinal cadmium uptake, the relative efficacies of the compounds tested were: DMSA>PAD>DMPS>MSA>PA>NAPA. None of the chelators induced major changes in the organ distribution of absorbed cadmium, in particular no increased cerebral deposition of cadmium. This study indicates that, in oral cadmium intoxication in humans, orally administered DMSA would be likely to offer protection against the local toxicity of cadmium in the gastrointestinal tract as well as to reduce the risk of systemic toxicity of absorbed cadmium. (author)

  6. Association between SNPs within candidate genes and compounds related to boar taint and reproduction

    DEFF Research Database (Denmark)

    Moe, Maren; Lien, Sigbjørn; Aasmundstad, Torunn

    2009-01-01

    BACKGROUND: Boar taint is an unpleasant odour and flavour of the meat from some uncastrated male pigs primarily caused by elevated levels of androstenone and skatole in adipose tissue. Androstenone is produced in the same biochemical pathway as testosterone and estrogens, which represents...... of this study was to detect SNPs in boar taint candidate genes and to perform association studies for both single SNPs and haplotypes with levels of boar taint compounds and phenotypes related to reproduction. RESULTS: An association study involving 275 SNPs in 121 genes and compounds related to boar taint...... and reproduction were carried out in Duroc and Norwegian Landrace boars. Phenotypes investigated were levels of androstenone, skatole and indole in adipose tissue, levels of androstenone, testosterone, estrone sulphate and 17beta-estradiol in plasma, and length of bulbo urethralis gland. The SNPs were genotyped...

  7. Labelled compounds for agrochemical residue studies in developing countries

    International Nuclear Information System (INIS)

    1977-01-01

    Potential applications of stable and radioactive isotopic tracers for assessing undesirable contaminants in agriculture, fisheries and food are discussed as related to developing countries. Sources and types of residues are considered, and their local implications; also, the availability of suitably labelled compounds, including possible international cooperation to facilitate more centralized and economic preparation, and the distribution of labelled intermediates and compounds for use by local scientists. The provision of training courses and their syllabus are reviewed. Experience in the Joint FAO/IAEA chemical residue and pollution programme has indicated a need for longer-lived radioisotopically labelled pesticides (insecticides, acaricides, fungicides, herbicides, fumigants, etc.) for studying their behaviour. 15 N-, 13 C- or 2 H-labelled fertilizers and fertilizer additives such as nitrification inhibitors will shortly be needed, for studying the behaviour of fertilizer nitrogen residues, and their regulation and conservation, under conditions prevailing in the developing countries. Compounds labelled with stable isotopes are considered particularly valuable under field conditions. The report reviews the present situation and presents specific recommendations to the Directors General of FAO and IAEA

  8. Synthesis and Activity of Grape Wood Phytotoxins and Related Compounds

    Directory of Open Access Journals (Sweden)

    S. Perrin-Cherioux

    2004-04-01

    Full Text Available The synthesis of analogues and derivatives of two o-hydroxyphenylacetylenes, eutypine and sterehirsutinal, the main phytotoxins isolated from the culture medium of Eutypa lata and Stereum hirsutum, is reported. Two means of synthesis are described, based on cyclisation, oxidation, oxidative decarboxylation or reduction reactions, and producing o-hydroxyphenylacetylene or benzofuran derivatives. Some of these synthetic compounds were tested on grapevine callus in order to compare their toxicity with the natural analogues.

  9. Synthesis and Activity of Grape Wood Phytotoxins and Related Compounds

    OpenAIRE

    S. Perrin-Cherioux; E. Abou-Mansour; R. Tabacchi

    2004-01-01

    The synthesis of analogues and derivatives of two o-hydroxyphenylacetylenes, eutypine and sterehirsutinal, the main phytotoxins isolated from the culture medium of Eutypa lata and Stereum hirsutum, is reported. Two means of synthesis are described, based on cyclisation, oxidation, oxidative decarboxylation or reduction reactions, and producing o-hydroxyphenylacetylene or benzofuran derivatives. Some of these synthetic compounds were tested on grapevine callus in order to compare t...

  10. Syntheses and studies of organosilicon compounds

    Energy Technology Data Exchange (ETDEWEB)

    Xie, Ren [Iowa State Univ., Ames, IA (United States)

    1999-02-12

    The syntheses of polycarbosilanes and polysilanes as silicon carbide ceramic precursors have been active research areas in the Barton Research Group. In this thesis, the work is focused on the preparation of polycarbosilanes and polysilanes as stoichiometric silicon carbide precursor polymers. The syntheses of the precursor polymers are discussed and the conversions of these precursors to silicon carbide via pyrolysis are reported. The XRD pattern and elemental analyses of the resulting silicon carbide ceramics are presented. Silicon monoxide is an important intermediate in the production of silicon metal. The existence of silicon monoxide in gap phase has been widely accepted. In the second part of this thesis, the generation of gaseous silicon monoxide in four different reactors and the reactions of gaseous silicon monoxide towards organic compounds are discussed.

  11. 1-/sup 11/C-D-glucose and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Shiue, C.Y.; Wolf, A.P.

    1982-01-26

    The novel compounds 1-/sup 11/C-D-glucose, 1-/sup 11/C-D-mannose, 1-/sup 11/C-D-galactose, 2-/sup 11/C-D-glucose, 2-/sup 11/C-D-mannose and 2-/sup 11/C-D-galactose which can be used in nuclear medicine to monitor the metabolism of glucose and galactose can be rapidly prepared by reaction of the appropriate aldose substrate with an alkali metal /sup 11/C-labeled cyanide followed by reduction with a Raney alloy in formic acid.

  12. Compounds in different aphasia categories: a study on picture naming.

    Science.gov (United States)

    Semenza, Carlo; De Pellegrin, Serena; Battel, Irene; Garzon, Martina; Meneghello, Francesca; Chiarelli, Valentina

    2011-12-01

    This study investigated the production of compounds in Italian-speaking patients affected by different aphasia categories (i.e., Broca's, Wernicke's, and anomic aphasia) in a confrontation naming task. Questions of theoretical interest concerning the processing of compounds within the framework of the "lemma theory" as well as the role of morphological productivity in compound processing are addressed. Results indicate that all persons with aphasia retain knowledge of the morphological status of words, even when they fail to retrieve the corresponding phonological form (the "compound effect"). A difference was found among aphasia categories in the type of errors produced (omission vs. substitution) and in the position (first or second) of these errors within the compound words. In Broca's aphasia, the first component is omitted more frequently than the second one, but only in verb-noun compounds. Anomic and Wernicke's aphasia, unlike in Broca's aphasia, seem to retain sensitivity to morphological productivity.

  13. Study of Coumarin-Resveratrol Hybrids as Potent Antioxidant Compounds

    Directory of Open Access Journals (Sweden)

    Maria J. Matos

    2015-02-01

    Full Text Available In the present work we synthesized a selected series of hydroxylated 3-phenylcoumarins 5–8, with the aim of evaluating in detail their antioxidant properties. From an in depth study of the antioxidant capacity data (ORAC-FL, ESR, CV and ROS inhibition it was concluded that these derivatives are very good antioxidants, with very interesting profiles in all the performed assays. The study of the effect of the number and position of the hydroxyl groups on the antioxidant activity was the principal aim of this study. In particular, 7-hydroxy-3-(3'-hydroxyphenylcoumarin (8 proved to be the most active and effective antioxidant of the selected series in four of the performed assays (ORAC-FL = 11.8, capacity of scavenging hydroxyl radicals = 54%, Trolox index = 2.33 and AI30 index = 0.18. However, the presence of two hydroxyl groups on this molecule did not increase greatly the activity profile. Theoretical evaluation of ADME properties of all the derivatives was also carried out. All the compounds can act as potential candidates for preventing or minimizing the free radical overproduction in oxidative-stress related diseases. These preliminary findings encourage us to perform a future structural optimization of this family of compounds.

  14. Germination of Aspergillus niger conidia is triggered by nitrogen compounds related to L-amino acids.

    Science.gov (United States)

    Hayer, Kimran; Stratford, Malcolm; Archer, David B

    2014-10-01

    Conidial germination is fundamentally important to the growth and dissemination of most fungi. It has been previously shown (K. Hayer, M. Stratford, and D. B. Archer, Appl. Environ. Microbiol. 79:6924-6931, 2013, http://dx.doi.org/10.1128/AEM.02061-13), using sugar analogs, that germination is a 2-stage process involving triggering of germination and then nutrient uptake for hyphal outgrowth. In the present study, we tested this 2-stage germination process using a series of nitrogen-containing compounds for the ability to trigger the breaking of dormancy of Aspergillus niger conidia and then to support the formation of hyphae by acting as nitrogen sources. Triggering and germination were also compared between A. niger and Aspergillus nidulans using 2-deoxy-D-glucose (trigger), D-galactose (nontrigger in A. niger but trigger in A. nidulans), and an N source (required in A. niger but not in A. nidulans). Although most of the nitrogen compounds studied served as nitrogen sources for growth, only some nitrogen compounds could trigger germination of A. niger conidia, and all were related to L-amino acids. Using L-amino acid analogs without either the amine or the carboxylic acid group revealed that both the amine and carboxylic acid groups were essential for an L-amino acid to serve as a trigger molecule. Generally, conidia were able to sense and recognize nitrogen compounds that fitted into a specific size range. There was no evidence of uptake of either triggering or nontriggering compounds over the first 90 min of A. niger conidial germination, suggesting that the germination trigger sensors are not located within the spore. Copyright © 2014, American Society for Microbiology. All Rights Reserved.

  15. How to tackle chemical communication? Relative proportions versus semiquantitative determination of compounds in lizard chemical secretions.

    Science.gov (United States)

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

    2018-02-01

    Knowledge about chemical communication in some vertebrates is still relatively limited. Squamates are a glaring example of this, even when recent evidences indicate that scents are involved in social and sexual interactions. In lizards, where our understanding of chemical communication has considerably progressed in the last few years, many questions about chemical interactions remain unanswered. A potential reason for this is the inherent complexity and technical limitations that some methodologies embody when analyzing the compounds used to convey information. We provide here a straightforward procedure to analyze lizard chemical secretions based on gas chromatography coupled to mass spectrometry that uses an internal standard for the semiquantification of compounds. We compare the results of this method with those obtained by the traditional procedure of calculating relative proportions of compounds. For such purpose, we designed two experiments to investigate if these procedures allowed revealing changes in chemical secretions 1) when lizards received previously a vitamin dietary supplementation or 2) when the chemical secretions were exposed to high temperatures. Our results show that the procedure based on relative proportions is useful to describe the overall chemical profile, or changes in it, at population or species levels. On the other hand, the use of the procedure based on semiquantitative determination can be applied when the target of study is the variation in one or more particular compounds of the sample, as it has proved more accurate detecting quantitative variations in the secretions. This method would reveal new aspects produced by, for example, the effects of different physiological and climatic factors that the traditional method does not show.

  16. The radiation chemistry of the purine bases within DNA and related model compounds

    International Nuclear Information System (INIS)

    Cadet, J.; Berger, M.; Shaw, A.

    1986-01-01

    Both the direct and indirect effects of ionizing radiations are believed to contribute to the chemical changes induced in cellular DNA. Relevant information on the possible degradation pathways has been provided by studies using DNA model compounds, the major proportion of which have focused on pyrimidine components and sugar derivatives. With the development of powerful analytical tools such as high performance liquid chromatography and soft ionization mass spectrometry techniques, progress has recently been made in the elucidation of the nature of the radiation-induced chemical modifications of purine bases in DNA and related nucleosides and nucleotides. This short review details recent aspects of the radiation-induced degradation of adenine and guanine bases in DNA and its model compounds as the result of both direct and indirect effects. 11 refs., 2 figs., 1 tab

  17. Tyrphostin AG-related compounds attenuate H2O2-induced TRPM2-dependent and -independent cellular responses.

    Science.gov (United States)

    Yamamoto, Shinichiro; Toda, Takahiro; Yonezawa, Ryo; Negoro, Takaharu; Shimizu, Shunichi

    2017-05-01

    TRPM2 is a Ca 2+ -permeable channel that is activated by H 2 O 2 . TRPM2-mediated Ca 2+ signaling has been implicated in the aggravation of inflammatory diseases. Therefore, the development of TRPM2 inhibitors to prevent the aggravation of these diseases is expected. We recently reported that some Tyrphostin AG-related compounds inhibited the H 2 O 2 -induced activation of TRPM2 by scavenging the intracellular hydroxyl radical. In the present study, we examined the effects of AG-related compounds on H 2 O 2 -induced cellular responses in human monocytic U937 cells, which functionally express TRPM2. The effects of AG-related compounds on H 2 O 2 -induced changes in intracellular Ca 2+ concentrations, extracellular signal-regulated kinase (ERK) activation, and CXCL8 secretion were assessed using U937 cells. Ca 2+ influxes via TRPM2 in response to H 2 O 2 were blocked by AG-related compounds. AG-related compounds also inhibited the H 2 O 2 -induced activation of ERK, and subsequent secretion of CXCL8 mediated by TRPM2-dependent and -independent mechanisms. Our results show that AG-related compounds inhibit H 2 O 2 -induced CXCL8 secretion following ERK activation, which is mediated by TRPM2-dependent and -independent mechanisms in U937 cells. We previously reported that AG-related compounds blocked H 2 O 2 -induced TRPM2 activation by scavenging the hydroxyl radical. The inhibitory effects of AG-related compounds on TRPM2-independent responses may be due to scavenging of the hydroxyl radical. Copyright © 2017 The Authors. Production and hosting by Elsevier B.V. All rights reserved.

  18. Microbial communities related to volatile organic compound emission in automobile air conditioning units.

    Science.gov (United States)

    Diekmann, Nina; Burghartz, Melanie; Remus, Lars; Kaufholz, Anna-Lena; Nawrath, Thorben; Rohde, Manfred; Schulz, Stefan; Roselius, Louisa; Schaper, Jörg; Mamber, Oliver; Jahn, Dieter; Jahn, Martina

    2013-10-01

    During operation of mobile air conditioning (MAC) systems in automobiles, malodours can occur. We studied the microbial communities found on contaminated heat exchanger fins of 45 evaporators from car MAC systems which were operated in seven different regions of the world and identified corresponding volatile organic compounds. Collected biofilms were examined by scanning electron microscopy and fluorescent in situ hybridization. The detected bacteria were loosely attached to the metal surface. Further analyses of the bacteria using PCR-based single-strand conformation polymorphism and sequencing of isolated 16S rRNA gene fragments identified highly divergent microbial communities with multiple members of the Alphaproteobacteriales, Methylobacteria were the prevalent bacteria. In addition, Sphingomonadales, Burkholderiales, Bacillales, Alcanivorax spp. and Stenotrophomonas spp. were found among many others depending on the location the evaporators were operated. Interestingly, typical pathogenic bacteria related to air conditioning systems including Legionella spp. were not found. In order to determine the nature of the chemical compounds produced by the bacteria, the volatile organic compounds were examined by closed loop stripping analysis and identified by combined gas chromatography/mass spectrometry. Sulphur compounds, i.e. di-, tri- and multiple sulphides, acetylthiazole, aromatic compounds and diverse substituted pyrazines were detected. Mathematical clustering of the determined microbial community structures against their origin identified a European/American/Arabic cluster versus two mainly tropical Asian clusters. Interestingly, clustering of the determined volatiles against the origin of the corresponding MAC revealed a highly similar pattern. A close relationship of microbial community structure and resulting malodours to the climate and air quality at the location of MAC operation was concluded.

  19. Dependence of Oak-Related Volatile Compounds on the Physicochemical Characteristics of Barrel-Aged Wines

    Directory of Open Access Journals (Sweden)

    Pedro Rodríguez-Rodríguez

    2012-01-01

    Full Text Available This paper focuses on the effect of some of the physicochemical characteristics of wines such as volatile acidity, titratable acidity, pH, free SO2 and alcohol content on the accumulation of oak-related volatile compounds in barrel-aged wines, in order to give more light on the contradictory results found by other authors in this respect. For this, three different single variety wines were aged for twelve months in barrels with the same characteristics (same cooperage, wood origin, toasting level and volume, repeating the experiment in two consecutive years. Our results show that the percentage of wine alcohol and its titratable acidity positively correlated with the final concentration of vanillin and guaiacyl compounds in the oak-matured wines and negatively with the cis- and trans-β-methyl-γ-octalactone concentration. Therefore, when studying the effect of oak barrel variables (oak origin and seasoning, size of the barrel, number of uses, etc. on the concentration of oak-related volatile compounds in wine, the effect of the physicochemical variables of the wine, especially titratable acidity and alcohol content, should also be taken into account since the final wine aroma composition will also depend on these characteristics.

  20. Studies about behavior of microbial degradation of organic compounds

    International Nuclear Information System (INIS)

    Ohtsuka, Makiko

    2003-02-01

    Some of TRU waste include organic compounds, thus these organic compounds might be nutrients for microbial growth at disposal site. This disposal system might be exposed to high alkali condition by cement compounds as engineering barrier material. In the former experimental studies, it has been supposed that microbial exist under pH = 12 and the microbial activity acclimated to high alkali condition are able to degrade asphalt under anaerobic condition. Microbes are called extremophile that exist in cruel habitat as high alkali or reductive condition. We know less information about the activity of extremophile, though any recent studies reveal them. In this study, the first investigation is metabolic pathway as microbial activity, the second is microbial degradation of aromatic compounds in anaerobic condition, and the third is microbial activity under high alkali. Microbial metabolic pathway consist of two systems that fulfill their function each other. One system is to generate energy for microbial activities and the other is to convert substances for syntheses of organisms' structure materials. As these systems are based on redox reaction between substances, it is made chart of the microbial activity region using pH, Eh, and depth as parameter, There is much report that microbe is able to degrade aromatic compounds under aerobic or molecular O 2 utilizing condition. For degradation of aromatic compounds in anaerobic condition, supplying electron acceptor is required. Co-metabolism and microbial consortia has important role, too. Alcalophile has individual transporting system depending Na + and acidic compounds contained in cell wall. Generating energy is key for survival and growth under high alkali condition. Co-metabolism and microbial consortia are effective for microbial degradation of aromatic compounds under high alkali and reductive condition, and utilizable electron acceptor and degradable organic compounds are required for keeping microbial activity and

  1. Electron spectroscopy on high-temperature superconductors and related compounds

    International Nuclear Information System (INIS)

    Knupfer, M.

    1994-01-01

    In the last two classes of materials have been discovered which distinguish themselves due to a transition into the superconducting state at relatively high temperatures. These are the cuprate superconductors and the alkali metal doped fullerenes. In this work the electronic structure of representatives of these materials, undoped and Ca-doped YBa 2 Cu 4 O 8 and A 3 C 60 (A=K, Rb), has been investigated using electron energy-loss spectroscopy and photoemission spectroscopy. (orig.) [de

  2. Iron based superconductors and related compounds synthesized by solid state metathesis and high temperature reactions

    International Nuclear Information System (INIS)

    Frankovsky, Rainer

    2013-01-01

    The results of this thesis can be divided into three major topics, which can also be seen as different approaches of solid state chemistry to reveal interesting features of known and unknown compounds and to develop alternative synthesis routes. Firstly, known compounds with related structural motifs to the superconducting iron-arsenides were investigated regarding their structural and physical properties. In case of La 3 Pd 4 Ge 4 the influence of Fe doping on the properties was studied, whereas in the series ZrMAs (M=Ti,V) the physical properties have not yet been reported at all and were investigated for the first time. Secondly, an alternative synthesis route has been developed for the synthesis of superconducting LaFeAsO 1-x F x . This solid state metathesis reaction distinctly increased the quality of the samples compared to conventionally prepared products. Furthermore, the reaction pathway was investigated and clarified, which helps to understand the processes during high temperature solid state metathesis reactions in general. Thirdly, this alternative synthesis route was expanded to other systems and new compounds like co-substituted LaFe 1-x Mn x AsO 1-y F y were prepared and thoroughly investigated. This led to a complex study of the interplay of magnetism, electronic and structural conditions and the occurrence of superconducting properties. The investigation and understanding of such complex coherences will probably be decisive for the further understanding of the superconducting mechanism in iron based superconductors.

  3. Synthesis and anion binding properties of porphyrins and related compounds

    KAUST Repository

    Figueira, Flá vio; Rodrigues, Joã o M M; Farinha, Andreia; Cavaleiro, José A S; Tomé , Joã o P C

    2016-01-01

    promising. In this review, we summarize the most recent developments in anion binding studies while outlining the strategies that may be used to synthesize and functionalize these type of macrocycles. © 2016 World Scientific Publishing Company.

  4. Health and taste related compounds in strawberries under various irrigation regimes and bio-stimulant application.

    Science.gov (United States)

    Kapur, Burcak; Sarıdaş, Mehmet Ali; Çeliktopuz, Eser; Kafkas, Ebru; Paydaş Kargı, Sevgi

    2018-10-15

    Strawberry has a unique status within the fruit species in terms of health and taste related compounds. This experimental study concerned the application of a bio-stimulant at various drip irrigation levels (IR125, IR100, IR75 and IR50). The effects of the bio-stimulant (seaweed extract) on the eating quality, i.e., the taste-related (TSS, fructose, glucose, sucrose and citric, malic, l-ascorbic acid), and health-related (antioxidant activity, total phenol, myricetin and quercetin) compounds were studied in two strawberry cultivars. The 'Rubygem' with its higher sugar and lower acid content has been more preferable than the 'Kabarla' cultivar. The bio-stimulant contributes to taste by improving the TSS, fructose, sucrose and also to health by increasing the quercetin content of the fruit which is associated to the cardiovascular properties and cancer reducing agents. The experiment conducted revealed significant increases only in the TSS contents and antioxidant activity under the IR50 and IR75 deficit irrigation treatments. Copyright © 2018 Elsevier Ltd. All rights reserved.

  5. Species-specific accumulation of dioxin related compounds in cetaceans collected from Japanese coastal waters

    Energy Technology Data Exchange (ETDEWEB)

    Kajiwara, N.; Watanabe, M.; Tanabe, S. [Center for Marine Environmental Studies (CMES), Ehime Univ. (Japan); Amano, M. [Ocean Research Inst., Univ. of Tokyo, Iwate (Japan); Yamada, T. [National Science Museum, Tokyo (Japan)

    2004-09-15

    Polychlorinated dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs) are extremely hazardous and persistent chemicals identified as contaminants in chlorophenols, herbicides, fly ash and other incineration products. Dioxin-like PCBs including non- and mono-ortho coplanar PCBs are referred to as dioxin related compounds and are evaluated on par with PCDD/Fs in environmental risks since they have a high toxicity, similar to that of PCDD/Fs. These congeners have a range of physicochemical characteristics, which profoundly affect their persistence, environmental distribution, and bioaccumulation in aquatic food chains. Fish-eating wildlife such as marine mammals are particularly vulnerable to such contamination given their long lives, high trophic level, relative inability to metabolize many persistent organic pollutants (POPs), and the biomagnification of these contaminants in aquatic food chains. However, most studies dealing with PCDDs and PCDFs in marine mammals have been carried out on pinnipeds, and data on PCDD/Fs levels in cetaceans are scarce. The present study is aimed at understanding the recent pattern of contamination by dioxin related compounds including non- and mono-ortho coplanar PCBs and PCDD/Fs in three cetacean species collected from Japanese coastal waters during 1998-2001, and also to discuss the factors determining the accumulation.

  6. Occurrence and removal of volatile organic compounds (VOC) relative to water treatment plants in Malaysia

    International Nuclear Information System (INIS)

    Soh Shiau Chian

    2005-01-01

    A solid phase micro extraction technique with determination analysis by gas chromatography and mass spectrometry detector (SPME-GC-MSD) to determine 54 volatile organic compounds (VOC) in drinking water was successfully developed. The optimal conditions lead to mean recoveries of 85 % with the relative standard deviation below 13 %. Limit of detection was ranged from 0.005 μg/ l to 1.121 μg/ l for all VOC. Upon consideration of the complete procedure from sample preparation to instrumental determination, the expanded uncertainty for all VOC under study was in the range of 1.056 to 2.952 μg/ l. The optimised SPME-GC-MSD method was used to determine distributions and occurence of VOC in drinking water for Peninsular Malaysia for one year and a specific study carried out in Semenyih Catchment and Semenyih River Water Treatment Plant. Results from the monitoring programme showed that concentration of VOC ranged from undetectable to 190.9 μg/ l. Chloroform has the highest concentration and was detected in all drinking water samples. Apart from trihalomethanes (THM), other abundant compounds detected were 1,2-dibromoethane, cis and trans-1,3-dichloropropene, 1,2,3-trichloropropane and benzene. This indicated the presence of VOC in drinking water and thus is required to be frequently monitored in order to ensure and maintain drinking water quality. Based on exposure risks assessment, results from this study showed that total cancer risks was the greatest for benzene, followed by 1,2-dibromo-3-chloropropane, 1,2-dibromomethane, chloroform and dichlorobromomethane. Nevertheless, after considering the frequency of detection factor and alteration of cancer risks that has been done, chloroform contributed the highest cancer risks among other VOC compounds. On a specific study in Semenyih Catchment, the declination of water quality in Semenyih River between 1990 and 2004 to a perturbing stage was due to urbanisation process and industrial growth. Apart from raw water

  7. Phenolic compounds and related enzymes as determinants of sorghum for food use

    NARCIS (Netherlands)

    Dicko, M.H.; Gruppen, H.; Traore, A.S.; Voragen, A.G.J.; Berkel, van W.J.H.

    2006-01-01

    Phenolic compounds and related enzymes such as phenol biosynthesizing enzymes (phenylalanine ammonia lyase) and phenol catabolizing enzymes (polyphenol oxidase and peroxidase) are determinants for sorghum utilization as human food because they influence product properties during and after sorghum

  8. Ionization Potentials of Chemical Warfare Agents and Related Compounds Determined with Density Functional Theory

    National Research Council Canada - National Science Library

    Wright, J

    2000-01-01

    ...) agents at contaminated sites. Reported herein are theoretical ionization potentials for CW agents and their related compounds calculated using density functional theory at the B3LYP/6-311+G(2d,p) level of theory...

  9. Claisen, Cope and Related Rearrangements in the Synthesis of Flavour and Fragrance Compounds

    Directory of Open Access Journals (Sweden)

    Janusz Nowicki

    2000-08-01

    Full Text Available A review of the use of the Claisen, Cope and related [3,3]-sigmatropic rearrangements, sequential ("tandem" sigmatropic rearrangements and the "ene" reaction in the syntheses of flavour and fragrance compounds is presented.

  10. HFE C282Y/H63D compound heterozygotes are at low risk of hemochromatosis-related morbidity.

    Science.gov (United States)

    Gurrin, Lyle C; Bertalli, Nadine A; Dalton, Gregory W; Osborne, Nicholas J; Constantine, Clare C; McLaren, Christine E; English, Dallas R; Gertig, Dorota M; Delatycki, Martin B; Nicoll, Amanda J; Southey, Melissa C; Hopper, John L; Giles, Graham G; Anderson, Gregory J; Olynyk, John K; Powell, Lawrie W; Allen, Katrina J

    2009-07-01

    The risk of hemochromatosis-related morbidity is unknown among HFE compound heterozygotes (C282Y/H63D). We used a prospective population-based cohort study to estimate the prevalence of elevated iron indices and hemochromatosis-related morbidity for compound heterozygotes. In all, 31,192 subjects of northern European descent were genotyped for HFE C282Y and H63D. An HFE-genotype stratified random sample of 1,438 subjects, followed for an average of 12 years to a mean age of 65 years, completed questionnaires and gave blood. Clinical examinations were blinded to HFE genotype. A total of 180 (84 males) clinically examined C282Y/H63D participants were compared with 330 (149 males) controls with neither HFE mutation; 132 (65 males) and 270 (122 males), respectively, had serum iron measures at both timepoints. Mean serum ferritin (SF) and transferrin saturation (TS) were significantly greater for male and female compound heterozygotes than for wild-types at baseline and follow-up (all P females who were premenopausal at baseline, where SF was similar in both genotype groups. For subjects with serum measures from both baseline and follow-up, mean SF and TS levels did not change significantly for men or for postmenopausal women, but for premenopausal women SF levels increased from 43 to 109 microg/L for compound heterozygotes and from 35 to 64 microg/L for wild-types (both P female compound heterozygotes had a similar prevalence of hemochromatosis-related morbidity to wild-types. One of 82 males and zero of 95 females had documented iron overload-related disease. For male compound heterozygotes, mean iron indices do not change during middle age but for female compound heterozygotes menopause results in increased mean SF. Although compound heterozygotes might maintain elevated iron indices during middle age, documented iron overload-related disease is rare.

  11. Physicochemical Profiling of α-Lipoic Acid and Related Compounds.

    Science.gov (United States)

    Mirzahosseini, Arash; Szilvay, András; Noszál, Béla

    2016-07-01

    Lipoic acid, the biomolecule of vital importance following glycolysis, shows diversity in its thiol/disulfide equilibria and also in its eight different protonation forms of the reduced molecule. In this paper, lipoic acid, lipoamide, and their dihydro derivatives were studied to quantify their solubility, acid-base, and lipophilicity properties at a submolecular level. The acid-base properties are characterized in terms of six macroscopic, 12 microscopic protonation constants, and three interactivity parameters. The species-specific basicities, the pH-dependent distribution of the microspecies, and lipophilicity parameters are interpreted by various intramolecular effects, and contribute to understanding the antioxidant, chelate-forming, and enzyme cofactor behavior of the molecules observed. © 2016 Wiley-VHCA AG, Zürich.

  12. Concentration and distribution of dioxins and related compounds in various human organs

    Energy Technology Data Exchange (ETDEWEB)

    Iida, T.; Hirakawa, H.; Hori, T.; Tobiishi, K.; Matsueda, T. [Fukuoka Inst. of Health and Environmental Sciences, Dazaifu, Fukuoka (Japan); Todaka, T. [Japan Food Hygiene Association, Tokyo (Japan); Watanabe, S. [Tokyo Univ. of Agriculture, Tokyo (Japan); Yamada, T. [Keio Univ. School of Medicine, Tokyo (Japan)

    2004-09-15

    Polychlorinated dibenzo-p-dioxins (PCDDs), polychlorinated dibenzofurans (PCDFs) and non-ortho coplanar polychlorinated biphenyls (Non-Co-PCBs) and mono-ortho coplanar polychlorinated biphenyls (Mono-Co-PCBs) accumulate in the human body due to their highly lipophilic properties. In recent years, there has been some concern about the potential health effects of dioxins and related chemicals for the general population of humans. Although there exists an enormous amount of data on this subject, most of it is from breast milk and blood, due to ease of collection; information concerning concentrations and distribution in various human organs hardly exists. Therefore, new data concerning various human tissues is required to evaluate the pathophysiological significance of dioxins and related compounds in humans. The aim of this study was to investigate the concentration levels and distribution of dioxins and related compounds in various human organ tissues. We previously reported on the concentration levels in the human liver and adipose tissues from 28 donors. In this paper, we determined the concentrations of dioxin-like isomers in 8 organs, including blood, lungs, liver, bile, spleen, pancreas, kidney and mesentery fat from 20 donors.

  13. Reaction kinetics and transformation of carbadox and structurally related compounds with aqueous chlorine.

    Science.gov (United States)

    Shah, Amisha D; Kim, Jae-Hong; Huang, Ching-Hua

    2006-12-01

    The potential release of carbadox (CDX), a commonly used antibacterial agent in swine husbandry, into water systems is of a concern due to its carcinogenic and genotoxic effects. Until this study, the reactivity of carbadox (possessing quinoxaline N,N'-dioxide and hydrazone moieties) toward aqueous chlorine has yetto be investigated in depth. Chemical reactivity, reaction kinetics, and transformation pathways of carbadox and structurally related compounds with free chlorine under typical water treatment conditions were determined. This study found that only CDX and desoxycarbadox (DCDX), a main metabolite of CDX with no ring N-oxide groups, react rapidly with free chlorine while other structurally related compounds including olaquindox, quindoxin, quinoxaline N-oxide, quinoxaline, and quinoline N-oxide do not. The reaction kinetics of CDX and DCDX with chlorine are highly pH dependent (e.g., the apparent second-order rate constant, kapp, for CDX ranges from 51.8 to 3.15 x 10(4) M(-1)s(-1) at pH 4-11). The high reactivity of CDX and DCDX to chlorine involves deprotonation of their hydrazone N-H moieties where initial chlorine attack results in a reactive intermediate that is further attacked by nucleophiles in the matrix to yield non-chlorinated, hydroxylated, and larger molecular weight byproducts. All of the CDX's byproducts retain their biologically active N-oxide groups, suggesting that they may remain as active antibacterial agents.

  14. Novel strategies for microdose studies using non-radiolabeled compounds.

    Science.gov (United States)

    Maeda, Kazuya; Sugiyama, Yuichi

    2011-06-19

    Microdose studies using non-radiolabeled compounds enable assessment of the clinical pharmacokinetics of drug candidates in humans without the need to synthesize radiolabeled compounds. We have demonstrated that the quantification limits of many drugs measured by LC-MS/MS are low enough to allow estimation of their pharmacokinetic parameters following administration of a microdose. Our previous microdose studies with LC-MS/MS demonstrated the linear pharmacokinetics of fexofenadine between microdoses and therapeutic doses. We also obtained time profiles of plasma concentrations of nicardipine and its multiple metabolites following administration of a microdose. A significant advantage of using non-radiolabeled compounds is the ability to perform cassette microdose studies. By administering multiple drug candidates to the same subject, we can select compounds with appropriate pharmacokinetic properties simultaneously. We can also clarify major factors dominating the pharmacokinetics of drug candidates by cocktail microdosing of the test compounds and probe substrates with or without specific inhibitors for enzymes/transporters. Copyright © 2011 Elsevier B.V. All rights reserved.

  15. An experimental study of praseodymium intermetallic compounds at low temperatures

    International Nuclear Information System (INIS)

    Greidanus, F.J.A.M.

    1982-01-01

    In this thesis the author studies the low temperature properties of praseodymium intermetallic compounds. In chapter 2 some of the techniques used for the experiments described in the subsequent chapters are discussed. A set-up to perform specific-heat experiments below 1 K and a technique for performing magnetic susceptibility measurments below 1 K, using a superconducting quantum interference device (SQUID) are described. Chapter 3 is devoted to the theory of interacting Pr 3+ ions. Both bilinear and biquadratic interactions are dealt with in a molecular-field approximation. It is shown that first as well as second-order phase transitions can occur, depending on the nature of the ground state, and on the ratio of magnetic to crystal-field interactions. In chapters 4, 5, 6 and 7 experimental results on the cubic Laves phase compounds PrRh 2 , PrIr 2 , PrPt 2 , PrRu 2 and PrNi 2 are presented. From inelastic neutron scattering experiments the crystalline electric field parameters of the above compounds are determined. In chapters 5 and 6 susceptibility, neutron-diffraction, hyperfine specific-heat, low-field magnetization, pulsed-field magnetization, specific-heat and resistivity measurements are presented. In chapter 7 the specific heat and differential susceptibility of PrNi 2 below 1 K are studied. Finally, in chapter 8 praseodymium intermetallic compounds with low-symmetry singlet ground states, and cubic compounds with magnetic doublet ground states are studied. (Auth.)

  16. Comparative Study of Magnetic Instabilities in Cerium Compounds

    International Nuclear Information System (INIS)

    Pedrazzini, Pablo

    2003-01-01

    The variety of new phases and physical phenomena discovered in intermetallic compounds containing Rare Earths or Actinides has motivated, during the last four decades, the sustained study of their magnetic phase diagrams.The current interest is focused on the investigation of the region of the phase diagram where the magnetic order of Cerium, Ytterbium and Uranium based systems is destabilized.In this region different behaviours have been detected, such as non conventional superconductivity and the anomalous dependencies of the thermal, magnetic and transport properties at very low temperatures, associated to non-Fermi liquid behaviour.A simple model, the Doniach diagram, has guided the interpretation of the destabilization of the magnetic order in the previously mentioned systems.However, most of the systems that have been studied so far cannot be described within this model.This fact has motivated the development of a phenomenological classification of phase diagrams that has been mostly applied to cerium based compounds.This classification defines three types of phase diagrams, that can be distinguished by the way in which the magnetic transition is suppressed when a control parameter (such as doping or pressure) is driven towards its critical value.Within this scenario, we study the suppression of the antiferromagnetic order of the intermetallic compounds CeIn 3 , CeRh 2 Si 2 and CePd 2 Al 3 as a function of Ce-ligand alloying.The resulting systems, CeIn 3-x Sn x , Ce(Cu x Rh 1-x ) 2 Si 2 and CePd 2-x Ni x Al 3 , present different crystalline structures and the effects produced by the alloying process are different in each case.We analyse the resulting magnetic phase diagrams, and compare them with the above mentioned phenomenological classification.With such a purpose, we study in detail the region in which the magnetic instability takes place, in the proximity of the respective critical concentrations.Taking into account both our results and those reported in

  17. Use of mass spectrometry for study of coordination compounds

    International Nuclear Information System (INIS)

    Gehrbehlehu, N.V.; Indrichan, K.M.

    1981-01-01

    A review on mass-spectrometry of coordination compounds including the works published up to 1979 inclusive is provided. Mainly the products of metals with bi- and tetradentate ligands are considered using the method. Mo and Be carboxylates for which molecular ions lines are found in mass-spectra are studied. The study of mass-spectra for VO chelates with thiosemicarbazone of salicyl aldehyde is carried out. Application of the mass-spectrometry method permits to establish the mass of coordination compounds, the structure of complexes, dentate structure and the way of ligand coordination, the bond strength [ru

  18. Study on apatite compounds; Apataitokei kagobutsu ni kansuru kenkyu

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    1996-11-28

    To clarify the material properties of apatite compounds, the synthesis method, and the evaluation of physical properties of material and elementary technology were investigated. For the study on synthesis and crystal growth, a method of precipitating calcium phosphate on the surface of metal was investigated by means of relatively mild electrolytic method using liquid phase system. A new molding method of Ca defective apatite was established. Composite similar to vital bone was prepared by means of a new low-temperature sintering. For the study on chemical properties, from the model experiments, it was found that the self-organizing phenomenon, which is observed in the composite of apatite and collagen, happened between the organic single molecular film and crystal of apatite. For the study on evaluation of physical properties and elementary technology, the surface and interface of ceramics such as apatite were investigated by means of spectroscopy, the electronic state was analyzed by the quantum chemical calculation, and the crystalline structure was analyzed using X-ray equipment. 270 refs., 102 figs., 10 tabs.

  19. Wine phenolic compounds influence the production of volatile phenols by wine-related lactic acid bacteria.

    Science.gov (United States)

    Silva, I; Campos, F M; Hogg, T; Couto, J A

    2011-08-01

    To evaluate the effect of wine phenolic compounds on the production of volatile phenols (4-vinylphenol [4VP] and 4-ethylphenol [4EP]) from the metabolism of p-coumaric acid by lactic acid bacteria (LAB). Lactobacillus plantarum, Lactobacillus collinoides and Pediococcus pentosaceus were grown in MRS medium supplemented with p-coumaric acid, in the presence of different phenolic compounds: nonflavonoids (hydroxycinnamic and benzoic acids) and flavonoids (flavonols and flavanols). The inducibility of the enzymes involved in the p-coumaric acid metabolism was studied in resting cells. The hydroxycinnamic acids tested stimulated the capacity of LAB to synthesize volatile phenols. Growth in the presence of hydroxycinnamic acids, especially caffeic acid, induced the production of 4VP by resting cells. The hydroxybenzoic acids did not significantly affect the behaviour of the studied strains. Some of the flavonoids showed an effect on the production of volatile phenols, although strongly dependent on the bacterial species. Relatively high concentrations (1 g l(-1) ) of tannins inhibited the synthesis of 4VP by Lact. plantarum. Hydroxycinnamic acids were the main compounds stimulating the production of volatile phenols by LAB. The results suggest that caffeic and ferulic acids induce the synthesis of the cinnamate decarboxylase involved in the metabolism of p-coumaric acid. On the other hand, tannins exert an inhibitory effect. This study highlights the capacity of LAB to produce volatile phenols and that this activity is markedly influenced by the phenolic composition of the medium. © 2011 The Authors. Journal of Applied Microbiology © 2011 The Society for Applied Microbiology.

  20. Meat-related compounds and colorectal cancer risk by anatomical subsite.

    Science.gov (United States)

    Miller, Paige E; Lazarus, Philip; Lesko, Samuel M; Cross, Amanda J; Sinha, Rashmi; Laio, Jason; Zhu, Jay; Harper, Gregory; Muscat, Joshua E; Hartman, Terryl J

    2013-01-01

    Since meat may be involved in the etiology of colorectal cancer, associations between meat-related compounds were examined to elucidate underlying mechanisms in a population-based case-control study. Participants (989 cases/1,033 healthy controls) completed a food frequency questionnaire with a meat-specific module. Multivariable logistic regression was used to examine associations between meat variables and colorectal cancer; polytomous logistic regression was used for subsite-specific analyses. The following significant positive associations were observed for meat-related compounds: 2-amino-3,4,8-trimethylimidazo[4,5-f]quinoxaline (DiMeIQx) and colorectal, distal colon, and rectal tumors; 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx) and colorectal and colon cancer tumors; nitrites/nitrates and proximal colon cancer; 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) and rectal cancer; and benzo[a]pyrene and rectal cancer (P-trends cancer and pan-fried red meat and colorectal cancer were found (P-trends cancer; and well-done/charred poultry and colorectal, colon, and proximal colon tumors (P-trends nitrates may be involved in colorectal cancer etiology. Further examination into the unexpected inverse associations between poultry and colorectal cancer is warranted.

  1. Meat-Related Compounds and Colorectal Cancer Risk by Anatomical Subsite

    Science.gov (United States)

    Miller, Paige E.; Lazarus, Philip; Lesko, Samuel M.; Cross, Amanda J.; Sinha, Rashmi; Laio, Jason; Zhu, Jay; Harper, Gregory; Muscat, Joshua E.; Hartman, Terryl J.

    2012-01-01

    Since meat may be involved in the etiology of colorectal cancer, associations between meat-related compounds were examined to elucidate underlying mechanisms in a population-based case-control study. Participants (989 cases/1,033 healthy controls) completed a food frequency questionnaire with a meat-specific module. Multivariable logistic regression was used to examine associations between meat variables and colorectal cancer; polytomous logistic regression was used for subsite-specific analyses. The following significant positive associations were observed for meat-related compounds: 2-amino-3,4,8-trimethylimidazo[4,5-f]quinoxaline (DiMeIQx) and colorectal, distal colon, and rectal tumors; 2-amino-3,8-dimethylimidazo[4,5-f]quinoxaline (MeIQx) and colorectal and colon cancer tumors; nitrites/nitrates and proximal colon cancer; 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP) and rectal cancer; and benzo[a]pyrene and rectal cancer (P-trends meat type, cooking method, and doneness preference, positive associations between red processed meat and proximal colon cancer and pan-fried red meat and colorectal cancer were found (P-trends nitrites, and nitrates may be involved in colorectal cancer etiology. Further examination into the unexpected inverse associations between poultry and colorectal cancer is warranted. PMID:23441608

  2. Relation of forms of compounds of heavy natural radionuclides in soils

    International Nuclear Information System (INIS)

    Arkhipov, N.P.; Fedorova, T.A.; Fevraleva, L.T.

    1986-01-01

    Results of studying forms of 238 U, 232 Th, 226 Ra, 210 Po, 210 Pb compounds in nonfertilized soils (under control) and in soils fertilized with ammophos containing increased amount of the mentioned radionuclides are given. The study was performed in main-year field experiment with sandy ashen gray soil and leached chernozemic soil. It is shown that a main share of radionuclides in nonfertilized soils is presened with tightly bound compounds and compounds bound with sesquioxide compounds. After 5 years labelled natural radionuclides introduced into the ammophos composition are in a more mobile state as compared with radionuclides in nonfertilized soil and they are presented with acid-soluble and bound with humus compound forms. Systematical application of fertilizers during along-term period results in the concentration increase of heavy natural radionuclides in soil

  3. HFE C282Y/H63D Compound Heterozygotes Are at Low Risk of Hemochromatosis-Related Morbidity

    OpenAIRE

    Gurrin, Lyle C.; Bertalli, Nadine A.; Dalton, Gregory W.; Osborne, Nicholas J.; Constantine, Clare C.; McLaren, Christine E.; English, Dallas R.; Gertig, Dorota M.; Delatycki, Martin B.; Nicoll, Amanda J.; Southey, Melissa C.; Hopper, John L.; Giles, Graham G.; Anderson, Gregory J.; Olynyk, John K.

    2009-01-01

    The risk of hemochromatosis-related morbidity is unknown among HFE compound heterozygotes (C282Y/H63D). We used a prospective population-based cohort study to estimate the prevalence of elevated iron indices and hemochromatosis-related morbidity for compound heterozygotes. In all, 31,192 subjects of northern European descent were genotyped for HFE C282Y and H63D. An HFE-genotype stratified random sample of 1,438 subjects, followed for an average of 12 years to a mean age of 65 years, complete...

  4. Functionalised isocoumarins as antifungal compounds: Synthesis and biological studies.

    Science.gov (United States)

    Simic, Milena; Paunovic, Nikola; Boric, Ivan; Randjelovic, Jelena; Vojnovic, Sandra; Nikodinovic-Runic, Jasmina; Pekmezovic, Marina; Savic, Vladimir

    2016-01-01

    A series of novel 3-substituted isocoumarins was prepared via Pd-catalysed coupling processes and screened in vitro for antifungal activity against Candida species. The study revealed antifungal potential of isocoumarins possessing the azole substituents, which, in some cases, showed biological properties equal to those of clinically used voriconazole. Selected compounds were also screened against voriconazole resistant Candida krusei 6258 and a clinical isolate Candida parapsilosis CA-27. Although the activity against these targets needs to be improved further, the results emphasise additional potential of this new class of antifungal compounds. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Study of the transport of mercurial compounds by seric proteins

    International Nuclear Information System (INIS)

    Jullien-Saint Guily, Nicole

    1970-01-01

    A bond between the seric proteins and various mercurial compounds labeled with the radioisotopes 203 Hg and 197 Hg was demonstrated by means of research methods specific to radioactivity combined with protein separation techniques. In the course of this study it was shown how strongly the composition of the buffer during electrophoretic migration influences the transport of certain organo-mercurial compounds by the seric proteins. By means of a thioloprive: N - ethyl - maleimide, labeled with 14 C, it was proved that the bonding sites between the proteins and the mercurial compounds were the thiol groups of the proteins but that other bonding sites, in particular the amino groups, could also be involved. (author) [fr

  6. Experimental and theoretical studies of manganite and magnetite compounds

    International Nuclear Information System (INIS)

    Srinitiwarawong, Chatchai

    2002-01-01

    In the recent years interest in the transition oxide compounds has renewed among researchers in the field of condensed matter physics. This thesis presents the studies of the two families of the transition oxides, the manganite and magnetite compounds. Manganite has regained the interest since the discovery of the large magnetoresistance around its Curie temperature in 1990s. Magnetite on the other hand is the oldest magnetic material known to man however some of its physical properties are still controversial. The experimental works address some basic properties of these compounds when fabricated in the form of thin films. These include the resistivity measurements and magnetic measurements as well as the Hall effect. The various models of transport mechanism have been compared. The magnetic field and the temperature dependence of magnetoresistance have also been studied. Simple devices such as an artificial grain boundary and bilayers thin film have been investigated. The second part of this thesis concentrates on the theoretical aspects of the fundamental physics behind these two compounds. The problem of electrons tunnelling between the magnetite electrodes has been addressed taking into account the surface effect with distortion. The last chapter presents a theoretical study of the spinless-Hubbard model which is the simplest approximation of the conduction electrons in magnetite and manganite. The results are obtained from the Hartree-Fock and the Hubbard-I approximations as well as the exact diagonalisation method. (author)

  7. Antileishmanial activities of dihydrochalcones from piper elongatum and synthetic related compounds. Structural requirements for activity.

    Science.gov (United States)

    Hermoso, Alicia; Jiménez, Ignacio A; Mamani, Zulma A; Bazzocchi, Isabel L; Piñero, José E; Ravelo, Angel G; Valladares, Basilio

    2003-09-01

    Two dihydrochalcones (1 and 2) were isolated from Piper elongatum Vahl by activity-guided fractionation against extracellular promastigotes of Leishmania braziliensis in vitro. Their structures were elucidated by spectral analysis, including homonuclear and heteronuclear correlation NMR experiments. Derivatives 3-7 and 20 synthetic related compounds (8-27) were also assayed to establish the structural requirements for antileishmanial activity. Compounds 1-11 that proved to be more active that ketoconazol, used as positive control, were further assayed against promastigotes of Leishmania tropica and Leishmania infantum. Compounds 7 and 11, with a C(6)-C(3)-C(6) system, proved to be the most promising compounds, with IC(50) values of 2.98 and 3.65 microg/mL, respectively, and exhibited no toxic effect on macrophages (around 90% viability). Correlation between the molecular structures and antileishmanial activity is discussed in detail.

  8. Analysis of Relative Concentration of Ethanol and Other Odorous Compounds (OCs) Emitted from the Working Surface at a Landfill in China

    Science.gov (United States)

    Li, Dong; Lu, Wenjing; Liu, Yanjun; Guo, Hanwen; Xu, Sai; Ming, Zhongyuan; Wang, Hongtao

    2015-01-01

    Estimating odor emissions from landfill sites is a complicated task because of the various chemical and biological species that exist in landfill gases. In this study, the relative concentration of ethanol and other odorous compounds emitted from the working surface at a landfill in China was analyzed. Gas sampling was conducted at the landfill on a number of selected days from March 2012 to March 2014, which represented different periods throughout the two years. A total of 41, 59, 66, 54, 63, 54, 41, and 42 species of odorous compounds were identified and quantified in eight sampling activities, respectively; a number of 86 species of odorous compounds were identified and quantified all together in the study. The measured odorous compounds were classified into six different categories (Oxygenated compounds, Halogenated compounds, Terpenes, Sulfur compounds, Aromatics, and Hydrocarbons). The total average concentrations of the oxygenated compounds, sulfur compounds, aromatics, halogenated compounds, hydrocarbons, and terpenes were 2.450 mg/m3, 0.246 mg/m3, 0.203 mg/m3, 0.319 mg/m3, 0.530 mg/m3, and 0.217 mg/m3, respectively. The relative concentrations of 59 odorous compounds with respect to the concentration of ethyl alcohol (1000 ppm) were determined. The dominant contaminants that cause odor pollution around the landfill are ethyl sulfide, methyl mercaptan, acetaldehyde, and hydrogen sulfide; dimethyl disulfide and dimethyl sulfide also contribute to the pollution to a certain degree. PMID:25769100

  9. Spectroscopy and photophysics of flavin related compounds: Riboflavin and iso-(6,7)-riboflavin

    International Nuclear Information System (INIS)

    Sikorska, Ewa; Khmelinskii, Igor; Komasa, Anna; Koput, Jacek; Ferreira, Luis F.V.; Herance, Jose R.; Bourdelande, Jose L.; Williams, Sian L.; Worrall, David R.; Insinska-Rak, MaIgorzata; Sikorski, Marek

    2005-01-01

    The photochemistry and photophysics of isoalloxazines (10-substituted 2,3,4,10-tetrahydro-benzo[g]pteridine-2,4-diones), and especially flavins (7,8-dimethyl substituted isoalloxazines), are of considerable interest due to the biological relevance of these compounds. In this paper we report data concerning the photophysics of riboflavin and iso-(6,7)-riboflavin (10-(2,3,4,5-tetrahydroxypentyl)-6,7-dimethylbenzo[g]pteridine-2,4(3H,10H) -dione), and correlate the spectroscopic observations with theoretical calculations performed using time-dependent density functional theory. On the basis of these calculations the lowest excited singlet and triplet states are both assigned (π,π*) symmetry, and this result is used to explain the relatively low singlet oxygen quantum yields in comparison with alloxazines. Time-resolved emission studies have indicated 6,7-dimethylalloxazine a photodegradation product of iso-(6,7)-riboflavin

  10. Studies Relating to EVA

    Science.gov (United States)

    1997-01-01

    In this session, Session JA1, the discussion focuses on the following topics: The Staged Decompression to the Hypobaric Atmosphere as a Prophylactic Measure Against Decompression Sickness During Repetitive EVA; A New Preoxygenation Procedure for Extravehicular Activity (EVA); Metabolic Assessments During Extra-Vehicular Activity; Evaluation of Safety of Hypobaric Decompressions and EVA From Positions of Probabilistic Theory; Fatty Acid Composition of Plasma Lipids and Erythrocyte Membranes During Simulation of Extravehicular Activity; Biomedical Studies Relating to Decompression Stress with Simulated EVA, Overview; The Joint Angle and Muscle Signature (JAMS) System - Current Uses and Future Applications; and Experimental Investigation of Cooperative Human-Robotic Roles in an EVA Work Site.

  11. Theoretical Study of Some Nitrososulfamide Compounds with Antitumor Activity

    Directory of Open Access Journals (Sweden)

    Madi Fatiha

    2004-09-01

    Full Text Available The lowest-energy conformations of four 2-chloroethylnitrososulfamides were determined using the MM+ molecular mechanics method as implemented in Hyperchem 6.0. Some of the calculated structural parameters, angles and bonds lengths were compared with the crystal structure data of N-nitroso-N-(2-chloroethyl-N’-sulfamoyl- proline. Using MM+, AM1 and PM3 the anti conformation was predicted to be more stable than the syn conformation in each of these compounds. With these methods we found that the relative energy of the transition state (TS was considerably higher, but with the ab initio method using RHF with minimal basic function STO-3G we found that the syn conformation is predicted to be slightly more stable. The determination of some atomic charges of a selection of atoms on the syn, anti and TS structures of the various compounds provided some details about the nature of the transition state.

  12. A spin echo study of A15 intermetallic compounds

    International Nuclear Information System (INIS)

    Schoep, G.K.

    1976-01-01

    This thesis mainly concerns the measurement of spin-lattice relaxation times in intermetallic compounds of the bcc lattice structure, having the formula V 3 X (C = Pt, Ir, Os, Pd, Rh, Ni, Co, Au). When, in a spin echo experiment, a two-pulse sequence was applied, several quadrupolar echoes were observed. Special attention is given to the 'forbidden' echoes (absol.(Δm')GT1) in V 3 Au and V 3 Co. In relation to the V 3 X compounds, several characteristics are discussed including temperature dependence and concentration dependence of spin relaxation times, superconductivity and the importance of d-state electrons in determination of the spin relaxation times. Finally, the above characteristics were determined for 6 different samples of the vanadium-gold alloy, V 3 Au, specifically

  13. Study of antimicrobial effect of novel Quaternary Ammonium Compounds on bacteria and fungi

    Directory of Open Access Journals (Sweden)

    Maryam Sadrnia

    2014-10-01

    Full Text Available Background: Quarterly Ammonium Compounds (QuAC are the more effective antimicrobial agents in medicine and industry. It needs to produce the new compounds with the wider spectrum and less toxicity, because of microbial resistance. Aim of this study was microbiological Evaluation of the new Quarterly Ammonium Compounds produced by Structural modifications on some bacteria, yeast and fungi. Material and Methods: 16 Quat salts were designed and made in Ethanol or Aceto Nitril. Minimum Inhibitory Concentration (MIC was determined by standard method on Nutrient Broth and Minimal agar culture media for bacteria , Potato Dextrose Agar (PDA for fungi and Nutrient Agar and Saboro Dextrose Agar (SDA for yeasts . Results: Compounds 2,7,8,9,12,13 has the more antimicrobial effect ( minimum of MIC. Furthermore, it was shown that MIC was unrelated to culture compounds. In yeast culture it must to increases the concentration in enriched media. Compounds 9,12 and 13 has the more antibacterial effect as well as antifungal effect. Conclusion: In comparison of structure of produced compounds and results of the study, it was revealed that radical R3 has the most important role in antimicrobial properties of Quats and it could to be substitute any suitable group related to increasing anti microbial effects.

  14. Biodegradation tests of mercaptocarboxylic acids, their esters, related divalent sulfur compounds and mercaptans.

    Science.gov (United States)

    Rücker, Christoph; Mahmoud, Waleed M M; Schwartz, Dirk; Kümmerer, Klaus

    2018-04-17

    Mercaptocarboxylic acids and their esters, a class of difunctional compounds bearing both a mercapto and a carboxylic acid or ester functional group, are industrial chemicals of potential environmental concern. Biodegradation of such compounds was systematically investigated here, both by literature search and by experiments (Closed Bottle Test OECD 301D and Manometric Respirometry Test OECD 301F). These compounds were found either readily biodegradable or at least biodegradable to a significant extent. Some related compounds of divalent sulfur were tested for comparison (mercaptans, sulfides, disulfides). For the two relevant monofunctional compound classes, carboxylic acids/esters and mercaptans, literature data were compiled, and by comparison with structurally similar compounds without these functional groups, the influence of COOH/COOR' and SH groups on biodegradability was evaluated. Thereby, an existing rule of thumb for biodegradation of carboxylic acids/esters was supported by experimental data, and a rule of thumb could be formulated for mercaptans. Concurrent to biodegradation, abiotic processes were observed in the experiments, rapid oxidative formation of disulfides (dimerisation of monomercaptans and cyclisation of dimercaptans) and hydrolysis of esters. Some problems that compromise the reproducibility of biodegradation test results were discussed.

  15. Volatile sulphur compounds in wines related to yeast metabolism and nitrogen composition of grape musts

    OpenAIRE

    Moreira, N.; Mendesa, F.; Pereira, O.; Pinho, P. Guedes de

    2002-01-01

    The influence of nitrogen compounds in grape musts on the content of sulphur compounds of wines was studied. Different vinifications were performed with the addition of methionine (20 mg l−1) and/or cysteine (40 mg l−1) to grape musts before alcoholic fermentation. Six grape musts, with different nitrogen composition, from cultivars of the ‘Vinhos Verdes’ Region, in Portugal, were used. Addition of methionine to grape musts enhanced the content of wines in 3-(methylthio)-1-propanol, ...

  16. Muon and other studies of magnetic ordering in cuprate layer-compounds

    International Nuclear Information System (INIS)

    Portis, A.M.; Celio, M.

    1989-01-01

    Muon spin rotation studies of magnetic ordering in the planar cuprates are reviewed. Particular attention is given to doped La 2 CuO 4 and oxygen-depleted YBa 2 Cu 3 O 7-δ and to related experimental investigations. Studies of transition element substituted compounds are also reviewed. (orig.)

  17. MICROBIAL DEGRADATION OF NITROGEN, OXYGEN AND SULFUR HETEROCYCLIC COMPOUNDS UNDER ANAEROBIC CONDITIONS: STUDIES WITH AQUIFER SAMPLES

    Science.gov (United States)

    The potential for anaerobic biodegradation of 12 heterocyclic model compounds was studied. Nine of the model compounds were biotransformed in aquifer slurries under sulfate-reducing or methanogenic conditions. The nitrogen and oxygen heterocyclic compounds were more susceptible t...

  18. Energetics of hydrogen bonding in proteins: a model compound study.

    OpenAIRE

    Habermann, S. M.; Murphy, K. P.

    1996-01-01

    Differences in the energetics of amide-amide and amide-hydroxyl hydrogen bonds in proteins have been explored from the effect of hydroxyl groups on the structure and dissolution energetics of a series of crystalline cyclic dipeptides. The calorimetrically determined energetics are interpreted in light of the crystal structures of the studied compounds. Our results indicate that the amide-amide and amide-hydroxyl hydrogen bonds both provide considerable enthalpic stability, but that the amide-...

  19. In Vitro Bioavailability Study of an Antiviral Compound Enisamium Iodide

    OpenAIRE

    Eleonore Haltner-Ukomadu; Svitlana Gureyeva; Oleksii Burmaka; Andriy Goy; Lutz Mueller; Grygorii Kostyuk; Victor Margitich

    2018-01-01

    An investigation into the biopharmaceutics classification and a study of the in vitro bioavailability (permeability and solubility) of the antiviral compound enisamium iodide (4-(benzylcarbamoyl)-1-methylpyridinium iodide) were carried out. The solubility of enisamium iodide was determined in four different buffers. Apparent intestinal permeability (Papp) of enisamium iodide was assessed using human colon carcinoma (Caco-2) cells at three concentrations. The solubility of enisamium iodide in ...

  20. Signals of speciation: Volatile organic compounds resolve closely related sagebrush taxa, suggesting their importance in evolution

    Science.gov (United States)

    Deidre M. Jaeger; Justin B. Runyon; Bryce A. Richardson

    2016-01-01

    Volatile organic compounds (VOCs) play important roles in the environmental adaptation and fitness of plants. Comparison of the qualitative and quantitative differences in VOCs among closely related taxa and assessing the effects of environment on their emissions are important steps to deducing VOC function and evolutionary importance.

  1. Syringa oblata Lindl var. alba as a source of oleuropein and related compounds

    NARCIS (Netherlands)

    Nenadis, N.; Vervoort, J.J.M.; Boeren, J.A.; Tsimidou, M.Z.

    2007-01-01

    The leaf methanol extract of Syringa oblata Lindl var. alba was investigated as a source of oleuropein and related compounds. The extract had a high total phenol content and a radical scavenging activity similar to that of the respective extract from Olea europaea leaves. HPLC-DAD characterisation

  2. Moessbauer spectroscopic study on inorganic compounds. Pt. 2

    Energy Technology Data Exchange (ETDEWEB)

    Takahashi, Masashi; Kitazawa, Takafumi; Nanba, Hiroshi; Yoshinaga, Tomohiro; Nakajima, Norio; Sumisawa, Yasuhiro; Takeda, Masuo [Toho Univ., Funabashi, Chiba (Japan). Faculty of Science; Sawahata, Hiroyuki; Ito, Yasuo

    1998-01-01

    {sup 166}Er and {sup 127}I Moessbauer spectra were observed. {sup 166}Er Moessbauer spectrum of Er metal and 9 compounds were measured by {sup 166}Ho/Y{sub 0.6}Ho{sub 0.4}H{sub 2} source at 12K and the parameters such as e{sup 2}qQ(mm s{sup -1}), Heff(T) and {tau}(ns) were determined. The relaxation time of ErCl{sub 3}{center_dot}6H{sub 2}O was 0.7ns, long, but that of ErCl{sub 3} was 10 ps, short time. {sup 127}I Moessbauer spectrum of PhI(O{sub 2}CR){sub 2} (R=CH{sub 3}, CHF{sub 2}, CH{sub 2}Cl, CHCl{sub 2}, CCl{sub 3}, CH{sub 2}Br, CHBr{sub 2} and CBr{sub 3}) were observed and compared with that of R`{sub 3}Sb(O{sub 2}CR){sub 2} was similar to that of PhI(O{sub 2}CR){sub 2}. The correlation coefficient between e{sup 2}qQ({sup 127}I) and Mulliken population of carboxylic hydrogen atom of R{sub 2}CO{sub 2}H was -0.87. The relation between the hypervalent bond of O-I-O and that of O-Sb-0 was shown by the equation: e{sup 2}qQ({sup 121}Sb)/mm s{sup -1} = -47.2 + 1.32 e{sup 2}qQ({sup 127}I)/mm s{sup -1}. Hypervalent iodine complex such as (PhI(py){sub 2}){sup 2+} salt and E-Sb-I (E=O, I, N and C) were studied, too. (S.Y.)

  3. Insulin-Like Growth Factor 1 and Related Compounds in the Treatment of Childhood-Onset Neurodevelopmental Disorders

    Directory of Open Access Journals (Sweden)

    Cyrus Vahdatpour

    2016-09-01

    Full Text Available Insulin-Like Growth Factor 1 (IGF-1 is a neurotrophic polypeptide with crucial roles to play in Central Nervous System (CNS growth, development and maturation. Following interrogation of the neurobiology underlying several neurodevelopmental disorders and Autism Spectrum Disorders (ASD, both recombinant IGF-1 (mecasermin and related derivatives, such as (1-3 IGF-1, have emerged as potential therapeutic approaches. Clinical pilot studies and early reports have supported the safety/preliminary efficacy of IGF-1 and related compounds in the treatment of Rett Syndrome, with evidence mounting for its use in Phelan McDermid Syndrome and Fragile X Syndrome. In broader ASD, clinical trials are ongoing. Here, we review the role of IGF-1 in the molecular etiologies of these conditions in addition to the accumulating evidence from early clinical studies highlighting the possibility of IGF-1 and related compounds as potential treatments for these childhood-onset neurodevelopmental disorders.

  4. Nuclear Magnetic Resonance Study of Fluorine-Graphite Intercalation Compounds

    International Nuclear Information System (INIS)

    Panich, A.M.; Goren, S.D.; Nakajima, T.; Vieth, H.-M.; Privalov, A.

    1998-01-01

    To study the origin of semimetal-metal and metal-insulator transformations, localization effects and C-E bonding in fluorine-intercalated graphite C x F, 13 C and 19 F NMR investigations have been carried out for a wide range of fluorine content, 3.8 8, are attributed to mobile fluorine acceptor species which are responsible for the increase of electric conductivity in the dilute compound. When increasing the fluorine content to x ∼ 8 corresponding to the maximum electric conductivity, covalent C-P bonds start to oc- cur. The number of these bonds grows with fluorine content resulting in the decrease in conductivity which is caused by a percolation mechanism rather than by a change in bond length. A difference in 19 F chemical shift for fluorine-intercalated graphite C x F and covalent graphite fluoride (CF) n has been observed and is attributed to different C-P bonding in these compounds

  5. Studies of coal liquefaction (50). Catalysis of iron compounds

    Energy Technology Data Exchange (ETDEWEB)

    Tamura, Tomoyuki; Ogata, Eisuke; Kamiya, Yoshio

    1956-10-23

    A study is made to determine the catalytic actions and changes in grain size and surface area of various iron compound catalysts used for hydrogenation of phenanthrene. Effects of oxygen-containing compounds on the reaction are also investigated. Reactions of phenanthrene or CLB samples are performed in decalin or 1-methylnaphthalene as solvent. The solid reaction residue, including the catalyst used, is filtered and washed in acetone to provide specimens for SEM, surface area measurement (BET) and XRD. Three of the iron catalysts examined, CGS, FE(CO)/sub 5/ and FeS/sub 2/, are found to be highly effective for both phenanthrene hydrogenation and CLB decomposition, while Fe/sub 3/C does not work effectively for either of them. Fe (zero valene) and Fe/sub 2/O/sub 3/ are found effective for phenanthrene hydrogenation but not for CLB decomposition. (7 tabs)

  6. Efficacy of Compound Kushen Injection in Relieving Cancer-Related Pain: A Systematic Review and Meta-Analysis

    Directory of Open Access Journals (Sweden)

    Yu-ming Guo

    2015-01-01

    Full Text Available Despite widespread popular use of complementary and alternative medicine (CAM therapies, a rigorous evidence based on the efficacy of compound kushen injection (CKI for cancer-related pain is lacking. In this study, we evaluated the efficacy and safety of compound kushen injection and provided information for current or future research and clinical application. Sixteen trials were identified with a total of 1564 patients. The total pain relief rate of CKI plus chemotherapy is better than chemotherapy except for colorectal cancer. The treatment groups achieved a reduction in the incidences of leukopenia and gastrointestinal, hepatic, and renal functional lesion. However, there is paucity of multi-institutional RCTs evaluating compound kushen injection for cancer pain with adequate power, duration, and sham control. The quantity and quality of RCTs are lower so that we still have to boost the research level through scientific design and normative report.

  7. Lyophilized kits of diamino dithiol compounds for labelling with {sup 99m}-technetium. Pharmacokinetics studies and distribution compartmental models of the related complexes; Conjuntos de reativos liofilizados de compostos diaminoditiolicos para marcacao com tecnecio-99m. Estudo farmacocinetico e elaboracao de modelos compartimentalizados dos respectivos complexos

    Energy Technology Data Exchange (ETDEWEB)

    Araujo, Elaine Bortoleti de

    1995-07-01

    The present work reflects the clinical interest for labelling diamino dithiol compounds with technetium-99m. Both chosen compounds, L,L-Ethylene dicysteine (L,L-EC) and L,L-Ethylene dicysteine diethyl esther (L,L-ECD) were obtained with relative good yield and characterized by IR and NMR. The study of labelling conditions with technetium-99m showed the influence of the type and mass of reducing agent as well as the pH on the formation of complexes with desired biological characteristics. Radiochemical purity was determined by thin layer chromatography (TLC) and high performance liquid chromatography (HPLC). Lyophilised kits of L,L-EC and L,L-ECD for labelling with {sup 99m}Tc were obtained, with stability superior to 120 days, when stored under refrigeration, enabling the kits marketing. The ideal formulation of the kits as well as the use of liquid nitrogen in the freezing process, determined the lyophilization success. Distribution biological studies of the {sup 99m}Tc complexes were performed on mice by invasive method and on bigger animals by scintigraphic evaluation. Biological distribution studies of the complex {sup 99m}Tc-L,L-EC showed fast blood clearance, with the elimination of about 90% of the administered dose after 60 minutes, almost exclusively by the urinary system. The biological distribution results were adjusted to a three compartmental distribution model, as expected for a radiopharmaceutical designed to renal dynamic studies, with tubular elimination. The complex interaction with renal tubular receptors is related with structural characteristics of the compound, more specifically with the presence and location of polar groups. In comparison with {sup 99m}Tc-L,L-EC, biological studies of the complex {sup 99m}Tc -L,L-ECD showed different distribution aspects, despite some structural similarities. The presence of ethyl groups confers to the complex neutrality and lipophilicity. It cross the intact blood brain barrier and is retained in the brain

  8. An XPS study on ruthenium compounds and catalysts

    International Nuclear Information System (INIS)

    Bianchi, C.L.; Ragaini, V.; Cattania, M.G.

    1991-01-01

    The binding energy (BE) of the relevant peaks of several ruthenium compounds have been measured with a monochromatic small spot XPS. The BE of the 3d 5/2 level of ruthenium is in the range 279.91-282.88 eV. The variation of BE is due either to the variation of the oxidation state or to the different counter-ion. A series of catalysts with varying amounts of ruthenium supported on alumina and prepared using different precursors was also analyzed. The presence of more ruthenium species other than the metal was observed. On the basis of the values previously obtained on unsupported compounds, the species with higher BE were assigned to oxides. On all the samples prepared from RuCl 3 , an additional peak at a very high BE (283.79 eV) has been observed. This peak is related to the presence of chlorine on the surface: it is suggested that it is related to a charge transfer interaction. The influence of this species on the CO reactivity in the Fischer-Tropsch reaction is discussed. (orig.)

  9. Chemical Reductive Transformations of Synthetic Organic Compounds. Probe Compound Studies and Mechanistic Modeling

    National Research Council Canada - National Science Library

    Peyton, Gary

    2001-01-01

    Advanced Oxidation Processes (AOPs) can be used to selectively remove DNT (2,4-dinitrotoluene) from a complex waste stream by adding a precursor compound such as ethanol, which forms a reducing radical upon reaction with hydroxyl radical...

  10. Study of niobium V compounds in nitric medium

    International Nuclear Information System (INIS)

    Gue, J.-P.; Kikindai, Tivadar; CEA Centre d'Etudes Nucleaires de Fontenay-aux-Roses, 92

    1976-01-01

    Nitric solutions of niobium V were studied in the range of concentrations of 5.10 -6 M to 0,5.10 -3 M in niobium and 0,4 to 10N in nitric acid. Methods used were light scattering, electron microscopy, electrophoresis and ultracentrifugation. It is shown that niobium was in a colloidal hydroxide form. Solvent extraction studies were performed with dibutyl phosphoric acid diluted in dodecane. It appears that floculation of the sol occurs for weak organic acid concentrations. But if the concentration increases, the precipitated niobium compound is redissolved in the organic phase [fr

  11. Preparation of Tritium from irradiated lithium compounds (study)

    International Nuclear Information System (INIS)

    1989-01-01

    The aim of the present study is the selection of a certain scheme for release, collection, measurement and analysis of Tritium as produced in Lithium compounds (Li 2 O, LiOH, Li 2 CO 3 LiF and some Lithium alloys) in accordance with the 6 Li(n, α)T reaction. Tritium technology is of vital concern to power reactor programmes as well as to fusion technology. Meanwhile the fields of activity include, tritium generation and mangement in fission and fusion reactors; enviromental studies, release modeling HT/HTO conversion and dose assessments, absorption/ deabsorption, monitoring and plant design; research and development, labeling, compatibility and physical chemical properties

  12. Ion channeling study of defects in multicomponent semiconductor compounds

    International Nuclear Information System (INIS)

    Turos, A.; Nowicki, L.; Stonert, A.

    2002-01-01

    Compound semiconductor crystals are of great technological importance as basic materials for production of modern opto- and microelectronic devices. Ion implantation is one of the principal techniques for heterostructures processing. This paper reports the results of the study of defect formation and transformation in binary and ternary semiconductor compounds subjected to ion implantation with ions of different mass and energy. The principal analytical technique was He-ion channeling. The following materials were studied: GaN and InGaN epitaxial layers. First the semi empirical method of channeling spectra analysis for ion implanted multicomponent single crystal was developed. This method was later complemented by the more sophisticated method based on the Monte Carlo simulation of channeling spectra. Next, the damage buildup in different crystals and epitaxial layers as a function of the implantation dose was studied for N, Mg, Te, and Kr ions. The influence of the substrate temperature on the defect transformations was studied for GaN epitaxial layers implanted with Mg ions. Special attention was devoted to the study of growth conditions of InGaN/GaN/sapphire heterostructures, which are important component of the future blue laser diodes. In-atom segregation and tetragonal distortion of the epitaxial layer were observed and characterized. Next problem studied was the incorporation of hydrogen atoms in GaAs and GaN. Elastic recoil detection (ERDA) and nuclear reaction analysis (NRA) were applied for the purpose. (author)

  13. Interaction of erythrocytes and hexavalent uranium compounds -an autoanalytical study

    International Nuclear Information System (INIS)

    Stuart, W.I.; Shying, M.E.

    1980-05-01

    An automated analytical system was devised to measure the kinetics of hemolysis by uranyl compounds. Accurate plots of percentage hemolysis v. time were obtained; these, together with the corresponding differential curves, show that hemolysis of plasma-free erythrocytes is a two-stage process. The first stage of hemolysis is particularly affected by pH and anion content of uranyl solutions, and also by incubation of cell suspensions at 37 deg. before mixing with lysing solution. Complementary studies involving Coulter counting and microscopic observation established the general pattern of hemolysis and showed that cell agglutination is a prominent feature of the interaction of cells with uranyl solutions

  14. Study of thermophysical and anharmonic properties of fluorite compounds

    International Nuclear Information System (INIS)

    Singh, R.K.; Pandey, N.K.

    1983-01-01

    An extensive study is made of thermophysical and anharmonic properties of fluorite compounds using an interionic potential, which consists of a long-range Coulomb and three-body interactions and the short-range overlap repulsion and van der Waals attraction. The agreement achieved between experimental and theoretical results on third-order elastic constants and pressure derivatives of second order elastic constants are generally better than those obtained by others. This potential succeeds in predicting various thermophysical properties, like compressibility and its pressure and temperature derivatives, thermal expansion and Grueneisen parameters of seven crystals of fluorite structure. (author)

  15. Dynamics of growth/mature-related substances in vegetables using specific triple labeled compound

    International Nuclear Information System (INIS)

    Yamato, Yoichi; Hamano, Megumi; Yamazaki, Hiroko; Miura, Hiroyuki

    2000-01-01

    To progress physiological studies of vegetables, development of biosynthetic method for production of triple labeled compounds was attempted in this study and such method for vegetables using specifically labeled sugars was examined. As a sugar compound, 6-C 14 -glucose (14-CG) and 1-H 3 -glucose (3-HG) were given to culture medium for cells derived from tomato embryonic axis and the changes of these compounds were monitored. Tomato embryonic cells were harvested 20 and 44 hours after the addition of 14-CG or 3-CG into the culture medium the cells. The cells were homogenized and the supernatant after centrifugation was applied onto HPLC. Radio analyzer revealed major two peaks in the chromatography of the sugar fraction from the cells after 20 hours from the addition of 14-CG. One was the peak of glucose, itself and the other was estimated to be that of fructose based on the retention time. Whereas in the elution pattern of the sugar fraction after 44 hours from the addition, a peak of sucrose was found along with the peak of glucose. These results indicate that C 14 in 14-CG but not H 3 in 3-HG was transferred into fructose after the metabolism in tomato. Moreover, in both elution patterns, there was a peak positioned at the same retention time, indicating that the compound in this peak was produced from either of 14-CG or 3-HG. Therefore, it is thought that H 3 and C 14 double-labeled compound could be produced from the cell culture added with both labeled compounds; 14-CG and 3-HG. (M.N.)

  16. Cracking the Betel Nut: Cholinergic Activity of Areca Alkaloids and Related Compounds.

    Science.gov (United States)

    Horenstein, Nicole A; Quadri, Marta; Stokes, Clare; Shoaib, Mohammed; Papke, Roger L

    2017-10-03

    The use of betel quid is the most understudied major addiction in the world. The neuropsychological activity of betel quid has been attributed to alkaloids of Areca catechu. With the goal of developing novel addiction treatments, we evaluate the muscarinic and nicotinic activity of the four major Areca alkaloids: arecoline, arecaidine, guvacoline, and guvacine and four structurally related compounds. Acetylcholine receptors were expressed in Xenopus oocytes and studied with two-electrode voltage clamp. Both arecoline- and guvacoline-activated muscarinic acetylcholine receptors (mAChR), while only arecoline produced significant activation of nicotinic AChR (nAChR). We characterized four additional arecoline-related compounds, seeking an analog that would retain selective activity for a α4* nAChR, with diminished effects on mAChR and not be a desensitizer of α7 nAChR. We show that this profile is largely met by isoarecolone. Three additional arecoline analogs were characterized. While the quaternary dimethyl analog had a broad range of activities, including activation of mAChR and muscle-type nAChR, the methyl analog only activated a range of α4* nAChR, albeit with low potency. The ethyl analog had no detectable cholinergic activity. Evidence indicates that α4* nAChR are at the root of nicotine addiction, and this may also be the case for betel addiction. Our characterization of isoarecolone and 1-(4-methylpiperazin-1-yl) ethanone as truly selective α4*nAChR selective partial agonists with low muscarinic activity may point toward a promising new direction for the development of drugs to treat both nicotine and betel addiction. Nearly 600 million people use Areca nut, often with tobacco. Two of the Areca alkaloids are muscarinic acetylcholine receptor agonists, and one, arecoline, is a partial agonist for the α4* nicotinic acetylcholine receptors (nAChR) associated with tobacco addiction. The profile of arecoline activity suggested its potential to be used as a

  17. Structure–kinetic relationship study of CDK8/CycC specific compounds

    Science.gov (United States)

    Schneider, Elisabeth V.; Böttcher, Jark; Huber, Robert; Maskos, Klaus; Neumann, Lars

    2013-01-01

    In contrast with the very well explored concept of structure–activity relationship, similar studies are missing for the dependency between binding kinetics and compound structure of a protein ligand complex, the structure–kinetic relationship. Here, we present a structure–kinetic relationship study of the cyclin-dependent kinase 8 (CDK8)/cyclin C (CycC) complex. The scaffold moiety of the compounds is anchored in the kinase deep pocket and extended with diverse functional groups toward the hinge region and the front pocket. These variations can cause the compounds to change from fast to slow binding kinetics, resulting in an improved residence time. The flip of the DFG motif (“DMG” in CDK8) to the inactive DFG-out conformation appears to have relatively little influence on the velocity of binding. Hydrogen bonding with the kinase hinge region contributes to the residence time but has less impact than hydrophobic complementarities within the kinase front pocket. PMID:23630251

  18. Multivariate analysis of chromatographic retention data as a supplementary means for grouping structurally related compounds.

    Science.gov (United States)

    Fasoula, S; Zisi, Ch; Sampsonidis, I; Virgiliou, Ch; Theodoridis, G; Gika, H; Nikitas, P; Pappa-Louisi, A

    2015-03-27

    In the present study a series of 45 metabolite standards belonging to four chemically similar metabolite classes (sugars, amino acids, nucleosides and nucleobases, and amines) was subjected to LC analysis on three HILIC columns under 21 different gradient conditions with the aim to explore whether the retention properties of these analytes are determined from the chemical group they belong. Two multivariate techniques, principal component analysis (PCA) and discriminant analysis (DA), were used for statistical evaluation of the chromatographic data and extraction similarities between chemically related compounds. The total variance explained by the first two principal components of PCA was found to be about 98%, whereas both statistical analyses indicated that all analytes are successfully grouped in four clusters of chemical structure based on the retention obtained in four or at least three chromatographic runs, which, however should be performed on two different HILIC columns. Moreover, leave-one-out cross-validation of the above retention data set showed that the chemical group in which an analyte belongs can be 95.6% correctly predicted when the analyte is subjected to LC analysis under the same four or three experimental conditions as the all set of analytes was run beforehand. That, in turn, may assist with disambiguation of analyte identification in complex biological extracts. Copyright © 2015 Elsevier B.V. All rights reserved.

  19. Role of histidine-related compounds to intracellular buffering in fish skeletal muscle.

    Science.gov (United States)

    Abe, H; Dobson, G P; Hoeger, U; Parkhouse, W S

    1985-10-01

    Histidine-related compounds (HRC) were analyzed in fish skeletal muscle as a means of identifying their precise role in intracellular buffering. Fish muscle was used because it contains two functionally and spatially distinct fiber types, red and white. Two fish species, rainbow trout (Salmo gairdneri) and the Pacific blue marlin (Makaira nigricans), were studied because these species demonstrate widely different activity patterns. Marlin red and white muscle buffer capacity was two times higher than trout with white muscle, buffering being two times greater than red in both species. Buffer capacity was highest in the 6.5-7.5 pH range for all tissues, which corresponded to their high anserine levels. The titrated HRC buffering was greater than the observed HRC buffering, which suggested that not all HRC were available to absorb protons. The HRC contribution to total cellular buffering varied from a high of 62% for marlin white to a low of 7% for trout red. The other principal buffers were found to be phosphate and protein with taurine contributing within red muscle in the 7.0-8.0 pH range. HRC were found to be dominant in skeletal muscle buffering by principally accounting for the buffering capacity differences found between the species and fiber types.

  20. University related studies

    International Nuclear Information System (INIS)

    Anon.

    1976-01-01

    Over the years, opportunities for terrestrial ecology studies have attracted student researchers associated with Pacific Northwest colleges and universities. During the past year, four students have been involved with undergraduate or graduate thesis projects. Brief descriptions of these studies are included in this section. It is expected that university participation will be enhanced by designating parts of the Hanford Reservation as a National Environmental Research Park (NERP)

  1. Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

    International Nuclear Information System (INIS)

    Pachmayr, Ursula Elisabeth

    2017-01-01

    This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe_1_-_xS_x was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li_0_._8Fe_0_._2)OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li_0_._8Fe_0_._2)OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe_4 tetrahedra were found via this synthesis method. The iron selenides A_2Fe_4Se_6 (A = K, Rb, Cs) consist of double chains of [Fe_2Se_3]"1"-, whereas a new compound Na_6(H_2O)_1_8Fe_4Se_8 exhibits [Fe_4Se_8]"6"- 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard to iron-chalcogenide based superconductors this synthesis strategy is encouraging. It seems probable

  2. Hydrothermal synthesis of layered iron-chalcogenide superconductors and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Pachmayr, Ursula Elisabeth

    2017-04-06

    This thesis provides a new preparative approach to iron-chalcogenide based superconductors. The hydrothermal synthesis of anti-PbO type FeSe, which can be seen as basis structure of the compounds of interest was successfully developed. Along with this, some insights regarding the influence of synthesis parameters were gained featuring a basis for further hydrothermal syntheses of new iron-chalcogenide compounds. The potential of this method, primarily the extension of the so far limited accessibility of iron-chalcogenide based superconductors by solid-state sythesis, was revealed within the present work. The solid-solution FeSe{sub 1-x}S{sub x} was prepared for the whole substitution range, whereas solid-state synthesis exhibits a solubility limit at x = 0.3. Furthermore, the new compounds [(Li{sub 0.8}Fe{sub 0.2})OH]FeX (X = Se, S) were synthesized which are exclusively accessible via hydrothermal method. The compounds, where layers of (Li{sub 0.8}Fe{sub 0.2})OH alternate with FeX layers, feature exceptional physical properties, notably a coexistence of superconductivity and ferromagnetism. They were intensively studied within this work. By combination of solid-state and hydrothermal ion-exchange synthesis even large crystals necessary for subsequent physical measurements are accessible. Apart from these layered iron-chalcogenide superconductors, further compounds which likewise exhibit building blocks of edge-sharing FeSe{sub 4} tetrahedra were found via this synthesis method. The iron selenides A{sub 2}Fe{sub 4}Se{sub 6} (A = K, Rb, Cs) consist of double chains of [Fe{sub 2}Se{sub 3}]{sup 1-}, whereas a new compound Na{sub 6}(H{sub 2}O){sub 18}Fe{sub 4}Se{sub 8} exhibits [Fe{sub 4}Se{sub 8}]{sup 6-} 'stella quadrangula' clusters. This structural diversity as well as the associated physical properties of the compounds demonstrates the numerous capabilities of hydrothermal synthesis in the field of iron-chalcogenide compounds. In particular with regard

  3. Study on Antibiotic compounds from Pseudomonas aeruginosa NO4 Strain

    Energy Technology Data Exchange (ETDEWEB)

    Nam, Ji Young; Kim, Jin Kyu [Korea Atomic Energy Research Institute, Jeongeup (Korea, Republic of)

    2011-05-15

    As important human and veterinary medicines, antibiotics are being produced and consumed in large quantities around the world. For example, more than 50 million pounds (22,000 tons) of antibiotics are produced in the U.S. each year and annual production in Germany is about 2,000 tons. Antibiotics are low molecular weight microbial metabolites that at low concentrations inhibit the growth of other microorganisms. Resistant bacteria may also spread and become broader infection-control problems, not only within health care institutions, but in communities as well. Clinically important bacteria, such as methicillin-resistant Staphylococcus aureus (MRSA). MRSA is a common cause of infection among hospitalized patients. Pseudomonas aeruginosa is a major cause of opportunistic infections among immunocompromised individuals. The spread of this organism in health care settings is often difficult to control due to the presence of multiple intrinsic and acquired mechanisms of antimicrobial resistance. In this study, we isolated novel bacterium which had strong antagonistic activity and separated antibiotic compounds from Pseudomonas sp., and analyzed characteristics and molecular weight of the antibiotic compound

  4. Study on Antibiotic compounds from Pseudomonas aeruginosa NO4 Strain

    International Nuclear Information System (INIS)

    Nam, Ji Young; Kim, Jin Kyu

    2011-01-01

    As important human and veterinary medicines, antibiotics are being produced and consumed in large quantities around the world. For example, more than 50 million pounds (22,000 tons) of antibiotics are produced in the U.S. each year and annual production in Germany is about 2,000 tons. Antibiotics are low molecular weight microbial metabolites that at low concentrations inhibit the growth of other microorganisms. Resistant bacteria may also spread and become broader infection-control problems, not only within health care institutions, but in communities as well. Clinically important bacteria, such as methicillin-resistant Staphylococcus aureus (MRSA). MRSA is a common cause of infection among hospitalized patients. Pseudomonas aeruginosa is a major cause of opportunistic infections among immunocompromised individuals. The spread of this organism in health care settings is often difficult to control due to the presence of multiple intrinsic and acquired mechanisms of antimicrobial resistance. In this study, we isolated novel bacterium which had strong antagonistic activity and separated antibiotic compounds from Pseudomonas sp., and analyzed characteristics and molecular weight of the antibiotic compound

  5. Studies on the biological effects of deuteriated organic compounds

    International Nuclear Information System (INIS)

    Dinh-Nguyen, Nguyen; Vincent, J.

    1976-01-01

    The antifungal activity of some perdeuterated fatty acids with a normal chain of 11 to 18 carbon atoms was investigated on common dermatophytes Epidermophyton floccosum, Microsporum canis, Trichophyton mentagrophytes and T. rubrum under in vitro conditions. A perdeuterated compound is one in which most of the hydrogen atoms in the molecule are replaced by deuterium. These studies were performed by the dilution technique with respiratory measurements. Perdeuteration of of some fatty acids increases their inhibitory effect on the dermatophyte growth. Perdeuterated n-hendecanoic acid proved to be the most active of the substances tested. Possible mechanisms behind the enhanced antifungal activity due to the perdeuteration of fatty acids are discussed. The present study investigates the antifungal properties of some perdeuterated fatty acids on dermatophytes in vitro

  6. Preparation of Tritium from irradiated lithium compounds (study)

    Energy Technology Data Exchange (ETDEWEB)

    1989-01-01

    The aim of the present study is the selection of a certain scheme for release, collection, measurement and analysis of Tritium as produced in Lithium compounds (Li[sub 2]O, LiOH, Li[sub 2]CO[sub 3] LiF and some Lithium alloys) in accordance with the [sup 6]Li(n, [alpha])T reaction. Tritium technology is of vital concern to power reactor programmes as well as to fusion technology. Meanwhile the fields of activity include, tritium generation and mangement in fission and fusion reactors; enviromental studies, release modeling HT/HTO conversion and dose assessments, absorption/ deabsorption, monitoring and plant design; research and development, labeling, compatibility and physical chemical properties.

  7. Amphetamine-like effects of anorectics and related compounds in pigeons.

    Science.gov (United States)

    Evans, S M; Johanson, C E

    1987-06-01

    Four pigeons were trained to discriminate injections of d-amphetamine (AMPH; 2.0 mg/kg i.m.) from saline with responding maintained under a fixed-ratio 30 schedule of food delivery. When drugs used therapeutically as anorectics were tested, they consistently produced greater than 80% of AMPH-appropriate responding. The order of potency for substituting for AMPH was: mazindol greater than AMPH = phenmetrazine = phentermine greater than chlorphentermine = phendimetrazine = diethylpropion greater than clortermine = mefenorex. Other anorectics such as phenylpropanolamine (0.3-30.0 mg/kg) and fenfluramine (1.0-17.0 mg/kg) only substituted partially for AMPH whereas benzphetamine (1.0-100.0 mg/kg) resulted primarily in saline-appropriate responding. Compounds related to AMPH in biochemical mechanism of action or psychomotor stimulant activity also were tested. Methylphenidate (0.1-3.0 mg/kg), piribedil (0.3-17.0 mg/kg) and nisoxetine (0.03-1.0 mg/kg) shared discriminative stimulus properties with AMPH whereas bupropion (1.0-30.0 mg/kg) and propylhexedrine (10.0-100.0 mg/kg) substituted for AMPH in two of three pigeons tested. In contrast, caffeine and fenetylline resulted principally in saline-appropriate responding. Compounds from pharmacological classes not related to AMPH, such as morphine, diazepam and phencyclidine, failed to substitute for AMPH. In general, compounds with anorectic and/or stimulant properties shared discriminative stimulus properties with AMPH.

  8. Optical spectra of phthalocyanines and related compounds a guide for beginners

    CERN Document Server

    Isago, Hiroaki

    2015-01-01

    This book displays how optical (absorption, emission, and magnetic circular dichroism) spectra of phthalocyanines and related macrocyclic dyes can be varied from their prototypical ones depending on conditions. As these compounds can be involved in colorful chemistry (which might be driven by impurities in solvents), their spectra behave like the sea-god Proteus in their mutability. Therefore, those who have been engaged with phthalocyanines for the first time, including even educated professional researchers and engineers, may have been embarrassed by the deceptive behavior of their compounds and could have, in the worst cases, given up their projects. This book is aimed not merely at reviewing the optical spectra, but also at helping such people, particularly beginners, to figure them out by showing some examples of their prototypical spectra and their variations in several situations. For the purpose of better understanding, the book also provides an introduction to their theoretical backgrounds as graphic...

  9. Do Morphemes Matter when Reading Compound Words with Transposed Letters? Evidence from Eye-Tracking and Event-Related Potentials

    Science.gov (United States)

    Stites, Mallory C.; Federmeier, Kara D.; Christianson, Kiel

    2017-01-01

    The current study investigates the online processing consequences of encountering compound words with transposed letters (TLs), to determine if TLs that cross morpheme boundaries are more disruptive to reading than those within a single morpheme, as would be predicted by accounts of obligatory morpho-orthopgrahic decomposition. Two measures of online processing, eye movements and event-related potentials (ERPs), were collected in separate experiments. Participants read sentences containing correctly spelled compound words (cupcake), or compounds with TLs occurring either across morpheme boundaries (cucpake) or within one morpheme (cupacke). Results showed that between- and within-morpheme transpositions produced equal processing costs in both measures, in the form of longer reading times (Experiment 1) and a late posterior positivity (Experiment 2) that did not differ between conditions. Findings converge to suggest that within- and between-morpheme TLs are equally disruptive to recognition, providing evidence against obligatory morpho-orthographic processing and in favor of whole-word access of English compound words during sentence reading. PMID:28791313

  10. Formation of emerging DBPs from the chlorination and chloramination of seawater algal organic matter and related model compounds

    KAUST Repository

    Nihemaiti, Maolida

    2014-05-01

    Limited studies focused on reactions occurring during disinfection and oxidation processes of seawater. The aim of this work was to investigate disinfection by-products (DBPs) formation from the chlorination and chloramination of seawater algal organic matter and related model compounds. Simulated algal blooms directly growing in Red Sea, red tide samples collected during an algal bloom event and Hymenomonas sp. monoculture were studied as algal organic matter sources. Experiments were conducted in synthetic seawater containing bromide ion. A variety of DBPs was formed from the chlorination and chloramination of algal organic matter. Brominated DBPs (bromoform, DBAA, DBAN and DBAcAm) were the dominant species. Iodinated DBPs (CIAcAm and iodinated THMs) were detected, which are known to be highly toxic compared to their chlorinated or brominated analogues. Algal organic matter was found to incorporate important precursors of nitrogenous DBPs (N-DBPs), which have been reported to be more toxic than regulated THMs and HAAs. Isotopically-labeled monochloramine (15N- NH2Cl) was used in order to investigate the nitrogen source in N-DBPs. High formation of N-DBPs was found from Hymenomonas sp. sample in exponential growth phase, which was enriched in nitrogen-containing organic compounds. High inorganic nitrogen incorporation was found from the algal samples enriched in humic-like compounds. HAcAms formation was studied from chlorination and chloramination of amino acids. Asparagine, aspartic acid and other amino acids with an aromatic structure were found to be important precursors of HAcAms and DCAN. Factors affecting HAcAms formation (Cl2/ amino acid molar ratio and pH) were evaluated. Studies on the formation kinetics of DCAcAm and DCAN from asparagine suggested a rapid formation of DCAcAm from organic nitrogen (amide group) and a slower incorporation of inorganic nitrogen coming from monochloramine to form DCAN. High amounts of DCAN and DCAcAm were detected from the

  11. Compound sawtooth study in ohmically heated TFTR plasmas

    International Nuclear Information System (INIS)

    Yamada, H.; McGuire, K.; Colchin, D.

    1985-09-01

    Compound sawtooth activity has been observed in ohmically heated, high current, high density TFTR plasmas. Commonly called ''double sawteeth,'' such sequences consist of a repetitive series of subordinate relaxations followed by a main relaxation with a different inversion radius. The period of such compound sawteeth can be as long as 100 msec. In other cases, however, no compound sawteeth or bursts of them can be observed in discharges with essentially the same parameters

  12. Study on growth of highly pure uranium compounds

    International Nuclear Information System (INIS)

    Shikama, Tatsuo; Ochiai, Akira; Suzuki, Kenji.

    1992-01-01

    We developed the systems for growing highly pure uranium compounds to study their intrinsic physical properties. Uranium metal was zone refined under low contamination conditions as far as possible. Chemical analysis of the purified uranium was performed using the inductive coupled plasma emission spectrometry (ICP). The problem that emission spectra of the uranium conceal those of analyzed impurities was settled by extraction of the uranium using tri-n-butyl-phosphate (TBP). The result shows that some metallic impurities such as Pb, Mn, Cu etc. evaporated by the r.f. heating and other usual metallic impurities moved to the end of rod with molten zone. Therefore, we conclude that the zone refining technique is much effective to the removal of metallic impurities and we obtained highly purified uranium metal of 99.99 % up with regard to metallic impurities. Using the purified uranium, we attempted to grow a highly pure uranium-titanium single crystals. (author)

  13. Comparison of the amounts of taste-related compounds in raw and cooked meats from broilers and Korean native chickens.

    Science.gov (United States)

    Jayasena, Dinesh D; Kim, Sun Hyo; Lee, Hyun Jung; Jung, Samooel; Lee, Jun Heon; Park, Hee Bok; Jo, Cheorun

    2014-12-01

    This study was aimed at comparing the taste-related compound content in the breast and leg meat from 100-d-old Korean native chickens (KNC-100) and 32-d-old commercial broilers (CB-32) and determining the changes in these compounds during cooking. Cocks from certified meat-type commercial broiler (Ross) and Korean native chicken (Woorimatdag) strains were raised under similar standard commercial conditions, and a total of 10 birds from each breed were slaughtered at 32 and 100 d of age, which represents their market ages, respectively. Raw and cooked meat samples were prepared separately from the breast and leg and analyzed. The KNC-100 showed significantly higher concentrations of inosine 5'-monophosphate, reducing sugars, glutamic acid, linoleic acid, arachidonic acid, and docosahexaenoic acid than CB-32 did. Additionally, significantly higher inosine 5'-monophosphate, cysteine, arachidonic acid, and docosahexaenoic acid concentrations were observed in the breast meat, whereas the leg meat had higher concentration of glutamic acid, oleic acid, and linoleic acid (P cooking process, except oleic and linoleic acids. We suggest that the higher levels of taste-related compounds present in KNC-100 meat compared with CB-32 meat may result in the unique taste of the former meat, as has been previously reported. In addition, the results of this study may provide useful information for selection and breeding programs. ©2014 Poultry Science Association Inc.

  14. Occurrence and potential crop uptake of emerging contaminants and related compounds in an agricultural irrigation network.

    Science.gov (United States)

    Calderón-Preciado, Diana; Matamoros, Víctor; Bayona, Josep M

    2011-12-15

    Emerging contaminants have received much attention in recent years due to their presence in surface waters, but little attention has been paid to their occurrence in agricultural irrigation waters. This study investigated the occurrence of these compounds in an agricultural irrigation network in northeastern Spain and, for the first time, using two plant uptake models, estimated the concentration of selected micropollutants in crops. The concentration of micropollutants in agricultural irrigation waters ranged from 10 to 5130 ng L(-1) and exhibited some attenuation over the course of the irrigation network. Bromoform, chloroform, diclofenac, caffeine, ibuprofen, naproxen, methyl dihydrojasmonate, galaxolide, butylated hydroxytoluene, and butylated hydroxyanisole were the most abundant contaminants (>200 ng L(-1), on average). The estimated concentration of micropollutants in crops ranged from contaminants detected). Further studies are needed to determine the health implications that the presence of these compounds in fruit and vegetables may have for consumers. Copyright © 2011 Elsevier B.V. All rights reserved.

  15. Symptoms of mothers and infants related to total volatile organic compounds in household products

    OpenAIRE

    Farrow, A; Taylor, H; Northstone, K; Golding, J

    2003-01-01

    The authors sought to determine whether reported symptoms of mothers and infants were associated significantly with the use of household products that raised indoor levels of total volatile organic compounds (TVOCs). Data collected from 170 homes within the Avon Longitudinal Study of Parents and Children (ALSPAC: a large birth cohort of more than 10,000) had determined which household products were associated with the highest levels of TVOCs. The latter data were collected over a period that ...

  16. Wave study of compound eyes for efficient infrared detection

    Science.gov (United States)

    Kilinc, Takiyettin Oytun; Hayran, Zeki; Kocer, Hasan; Kurt, Hamza

    2017-08-01

    Improving sensitivity in the infrared spectrum is a challenging task. Detecting infrared light over a wide bandwidth and at low power consumption is very important. Novel solutions can be acquired by mimicking biological eyes such as compound eye with many individual lenses inspired from the nature. The nature provides many ingenious approaches of sensing and detecting the surrounding environment. Even though compound eye consists of small optical units, it can detect wide-angle electromagnetic waves and it has high transmission and low reflection loss. Insects have eyes that are superior compared to human eyes (single-aperture eyes) in terms of compactness, robustness, wider field of view, higher sensitivity of light intensity and being cheap vision systems. All these desired properties are accompanied by an important drawback: lower spatial resolution. The first step to investigate the feasibility of bio-inspired optics in photodetectors is to perform light interaction with the optical system that gather light and detect it. The most common method used in natural vision systems is the ray analysis. Light wave characteristics are not taken into consideration in such analyses, such as the amount of energy at the focal point or photoreceptor site, the losses caused by reflection at the interfaces and absorption cannot be investigated. In this study, we present a bio-inspired optical detection system investigated by wave analysis. We numerically model the wave analysis based on Maxwell equations from the viewpoint of efficient light detection and revealing the light propagation after intercepting the first interface of the eye towards the photoreceptor site.

  17. Synthesis and studies of some organometallic compounds of uranium IV

    International Nuclear Information System (INIS)

    Marquet-Ellis, Hubert; Folcher, Gerard.

    1975-06-01

    The organometallic compounds of uranium IV have been well known for a long-time but some difficulties in the synthese subsist. The procedures and the apparatus allowing to obtain these compounds with good yields are described. The cyclopenta dienyl compounds U(C 5 H 5 ) 3 Cl, U(C 5 H 5 ) 4 are prepared by reaction of UCl 4 with Na(C 5 H 5 ) in tetrahydrofurane. The cyclooctatetraene compound U(C 8 H 8 ) 2 ''Uranocene'' is obtained by reaction of K 2 (C 8 H 8 ) on UCl 4 in tetrahydrofurane. The NMR spectrum of the solution during the reaction shows the appearance of the product. These compounds have been identified by chemical analysis and X rays. The visible spectra of U(C 5 H 5 ) 2 Cl and U(C 8 H 8 ) 2 in gaseous phase have been obtained [fr

  18. The orthorhombic fluorite related compounds Ln/sub 3/RuO/sub 7/, Ln=Nd, Sm and Eu

    International Nuclear Information System (INIS)

    Van Berkel, F.P.F.; Ijdo, D.J.W.

    1986-01-01

    Fluorite-related Ru(V) compound with composition Ln/sub 3/RuO/sub 7/ have been found. These compounds with space group Cmcm adopt a superstructure of the cubic fluorite structure with a/sub orth/=2a/sub c/, b/sub orth/=c/sub orth/=a/sub c/√2. These compounds have the same structure as La/sub 3/NbO/sub 7/

  19. Identification of Systemic Acquired Resistance–Related Volatile Organic Compounds and their Role in Plant Immunity

    OpenAIRE

    Bichlmeier, Marlies

    2017-01-01

    Systemic acquired resistance (SAR) is an inducible immune response that depends on ENHANCED DISEASE SUSCEPTIBILITY1 (EDS1), which is essential for SAR signalling. In contrast to SAR, local resistance remains intact in Arabidopsis (Arabidopsis thaliana) eds1-2 mutant plants in response to Pseudomonas syringae delivering the effector protein AvrRpm1. I utilized the SAR-specific phenotype of the eds1-2 mutant to identify volatile organic compounds (VOCs) related to SAR. To this end, SAR was indu...

  20. Fentanyl-related compounds and derivatives: current status and future prospects for pharmaceutical applications

    Science.gov (United States)

    Vardanyan, Ruben S; Hruby, Victor J

    2014-01-01

    Fentanyl and its analogs have been mainstays for the treatment of severe to moderate pain for many years. In this review, we outline the structural and corresponding synthetic strategies that have been used to understand the structure–biological activity relationship in fentanyl-related compounds and derivatives and their biological activity profiles. We discuss how changes in the scaffold structure can change biological and pharmacological activities. Finally, recent efforts to design and synthesize novel multivalent ligands that act as mu and delta opioid receptors and NK-1 receptors are discussed. PMID:24635521

  1. Formation of radical anions of radiosensitizers and related model compounds via electrospray ionization

    DEFF Research Database (Denmark)

    Feketeová, Linda; Albright, Abigail L; Sørensen, Brita Singers

    2014-01-01

    Radiosensitizers are used in radiotherapy to enhance tumour control of radioresistant hypoxic tumours. While the detailed mechanism of radiosensitization is still unknown, the formation of radical anions is believed to be a key step. Thus understanding the ionization reactions of radiosensitizers......, misonidazole and related compounds using a hybrid linear ion trap – Fourier Transform Ion Cyclotron Resonance mass spectrometer (Finnigan-LTQ-FT). A key finding is that negative electrospray ionization of these radiosensitizers leads to the formation of radical anions, allowing their fragmentation reactions...

  2. Correlation between stereochemistry and optical activity of chiral dimolybdenum tetracarboxylates and related compounds

    International Nuclear Information System (INIS)

    Klyagina, A.P.; Golovaneva, I.F.; Sadikova, G.G.

    1990-01-01

    Using one-electron model of optical activity sector rules for chiral tetracarboxylates of molybdenum and related compounds are derived. Correlation between the sign of the Cotton effect (CE) of δ-δ * -transition and stereochemistry of this type of binuclear clusters is expressed in the form of hexadecant rule, in which positive sign of CE corresponds to the negative sign of pseudoscalar function xyz(x 2 -y 2 ) of the cluster atoms. Negative sign of CE is predicted for δ-δ * -transition in cis-(L-isoleucine) 2 (NCS) 4 Mo 2

  3. Use of halide transport in epitaxial growth of InP and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Somogyi, K. [Hungarian Academy of Sciences, Budapest (Hungary). Research Inst. for Technical Physics

    1996-12-31

    In this paper methods and results in the InP (and related) growth practice are reviewed, classified and summarized on the basis of the recent literature. The aim is to show the present place and role of the halogen transport in the epitaxial growth. In the case of InP the importance of the classical hydride method is still high. Though MOVPE technique dominates in the case of growth of the compounds with In content, atomic layer epitaxy and selective area growth are successful with auxiliary application of the halogen transport. Chlorine assisted MOVPE has an increasing role.

  4. Heterocyclic Naphthalimides as New Skeleton Structure of Compounds with Increasingly Expanding Relational Medicinal Applications.

    Science.gov (United States)

    Gong, Huo-Hui; Addla, Dinesh; Lv, Jing-Song; Zhou, Cheng-He

    2016-01-01

    Naphthalimide compounds are an important type of nitrogen-containing aromatic heterocycles with cyclic double imides and the naphthalene framework. This π-deficient large conjugated planar structure enables naphthalimide derivatives to readily interact with various biological cations, anions, small molecules and macromolecules such as DNAs, enzymes and recetors in living organism via noncovalent bonds, therefore exhibiting extensive potentiality in relatively medicinal applications. Currently, some naphthalimides as anticancer agents have entered into clinical trials and other naphthalimide-based medicinal developments as potential drugs for treatment of various diseases are actively and unprecedentedly expanding. Naphthalimide-derived artificial ion receptors, fluorescent probes and cell imaging agents are being overwhelmingly investigated and have a diversity of potential applications in real-time detecting ions and biomolecules, understanding biological processes and determining pharmacological and pharmacokinetic properties. All the above mentions have strongly implied that naphthalimide-based derivatives as new skeleton structure of compounds possess increasingly expanding relational medicinal applications, and the related research is becoming a quite attractive active topic and newly rising highlight. Combining with our research and referring other works from literature, this work systematically reviews the current research and development of heterocyclic naphthalimides as anticancer, antibacterial, antifungal, antiviral, anti-inflammatory, antidepressant agents as well as artificial cation and anion receptors, diagnostic agents and pathologic probes, and cell imaging agents for biologically important species. Some rational design strategies, structure-activity relationships and action mechanisms are discussed. The perspectives of the future development of naphthalimide-based medicinal chemistry are also presented.

  5. A study on radiolytic nitrogen compounds in bwr primary systems

    International Nuclear Information System (INIS)

    Ibe, Eishi; Karasawa, Hidetoshi; Endo, Masao; Suzuki, Kazumichi; Etho, Yoshinori

    1988-01-01

    Behavior of nitrogen compounds in a γ radiation field was evaluated. Twenty-four species and 73 reactions were proposed for analysis of the system. It was pointed out that reactions dominating analysis reliability were primary reactions which lead to evolution of atomic nitrogen and reactions related to ammonium ion decomposition. Theoretical calculations for the BWR primary system revealed that: (i) in-leaked nitrogen from a condenser did not deteriorate the oxygen reduction efficiency due to hydrogen addition in reactor water; (ii) most 16 N atmos released in the main steam line were in the form of nitrogen mono-oxide under both hydrogen and normal water chemistry; (iii) 16 N atoms in nitric and nitrous acids under normal water chemistry were reduced by hydrogen atom to 16 NO and then released to the main steam line under hydrogen water chemistry; and (iv) 16 N in the main steam under normal water chemistry could be suppressed one order of magnitude by addition of non-radioactive nitrous acid into the reactor water. (author)

  6. Occurrence and potential crop uptake of emerging contaminants and related compounds in an agricultural irrigation network

    International Nuclear Information System (INIS)

    Calderón-Preciado, Diana; Matamoros, Víctor; Bayona, Josep M.

    2011-01-01

    Emerging contaminants have received much attention in recent years due to their presence in surface waters, but little attention has been paid to their occurrence in agricultural irrigation waters. This study investigated the occurrence of these compounds in an agricultural irrigation network in northeastern Spain and, for the first time, using two plant uptake models, estimated the concentration of selected micropollutants in crops. The concentration of micropollutants in agricultural irrigation waters ranged from 10 to 5130 ng L −1 and exhibited some attenuation over the course of the irrigation network. Bromoform, chloroform, diclofenac, caffeine, ibuprofen, naproxen, methyl dihydrojasmonate, galaxolide, butylated hydroxytoluene, and butylated hydroxyanisole were the most abundant contaminants (> 200 ng L −1 , on average). The estimated concentration of micropollutants in crops ranged from −1 , with the neutral compounds being the most abundant. Moreover, the predicted data obtained by fate models generally agreed with experimental data. Finally, human exposure to micropollutants through fruit and vegetable consumption was estimated to be 9.8 μg per person and week (Σ 27 contaminants detected). Further studies are needed to determine the health implications that the presence of these compounds in fruit and vegetables may have for consumers.

  7. Occurrence and potential crop uptake of emerging contaminants and related compounds in an agricultural irrigation network

    Energy Technology Data Exchange (ETDEWEB)

    Calderon-Preciado, Diana [IDAEA-CSIC, Jordi Girona, 18, E-08034 Barcelona (Spain); Matamoros, Victor, E-mail: victor.matamoros@udg.edu [Department of Chemistry, University of Girona, Campus Montilivi, 17071 Girona (Spain); Bayona, Josep M. [IDAEA-CSIC, Jordi Girona, 18, E-08034 Barcelona (Spain)

    2011-12-15

    Emerging contaminants have received much attention in recent years due to their presence in surface waters, but little attention has been paid to their occurrence in agricultural irrigation waters. This study investigated the occurrence of these compounds in an agricultural irrigation network in northeastern Spain and, for the first time, using two plant uptake models, estimated the concentration of selected micropollutants in crops. The concentration of micropollutants in agricultural irrigation waters ranged from 10 to 5130 ng L{sup -1} and exhibited some attenuation over the course of the irrigation network. Bromoform, chloroform, diclofenac, caffeine, ibuprofen, naproxen, methyl dihydrojasmonate, galaxolide, butylated hydroxytoluene, and butylated hydroxyanisole were the most abundant contaminants (> 200 ng L{sup -1}, on average). The estimated concentration of micropollutants in crops ranged from < 1 to 7677 ng kg{sup -1}, with the neutral compounds being the most abundant. Moreover, the predicted data obtained by fate models generally agreed with experimental data. Finally, human exposure to micropollutants through fruit and vegetable consumption was estimated to be 9.8 {mu}g per person and week ({Sigma} 27 contaminants detected). Further studies are needed to determine the health implications that the presence of these compounds in fruit and vegetables may have for consumers.

  8. μSR-studies of magnetic properties of metallic rare earth compounds

    International Nuclear Information System (INIS)

    Asch, L.; Kalvius, G.M.; Chappert, J.; Yaouanc, A.; Hartmann, O.; Karlsson, E.; Wappling, R.

    1984-01-01

    Positive muons can probe the magnitude and the time dependence of the magnetic field at interstitial sites in condensed matter. Thus the relatively new techniques of muons spin rotation and muon spin relaxation have become unique tools for studying magnetism. After a brief introduction into the experimental method we then discuss measurements on the elemental rare earth metals and on intermetallic compounds, in particular on the cubic Laves phases REAl 2

  9. Choose Your Weaponry: Selective Storage of a Single Toxic Compound, Latrunculin A, by Closely Related Nudibranch Molluscs.

    Directory of Open Access Journals (Sweden)

    Karen L Cheney

    Full Text Available Natural products play an invaluable role as a starting point in the drug discovery process, and plants and animals use many interesting biologically active natural products as a chemical defense mechanism against predators. Among marine organisms, many nudibranch gastropods are known to derive defensive metabolites from the sponges they eat. Here we investigated the putative sequestration of the toxic compound latrunculin A--a 16-membered macrolide that prevents actin polymerization within cellular processes--which has been identified from sponge sources, by five closely related nudibranch molluscs of the genus Chromodoris. Only latrunculin A was present in the rim of the mantle of these species, where storage reservoirs containing secondary metabolites are located, whilst a variety of secondary metabolites were found in their viscera. The species studied thus selectively accumulate latrunculin A in the part of the mantle that is more exposed to potential predators. This study also demonstrates that latrunculin-containing sponges are not their sole food source. Latrunculin A was found to be several times more potent than other compounds present in these species of nudibranchs when tested by in vitro and in vivo toxicity assays. Anti-feedant assays also indicated that latrunculin A was unpalatable to rock pool shrimps, in a dose-dependent manner. These findings led us to propose that this group of nudibranchs has evolved means both to protect themselves from the toxicity of latrunculin A, and to accumulate this compound in the mantle rim for defensive purposes. The precise mechanism by which the nudibranchs sequester such a potent compound from sponges without disrupting their own key physiological processes is unclear, but this work paves the way for future studies in this direction. Finally, the possible occurrence of both visual and chemosensory Müllerian mimicry in the studied species is discussed.

  10. Mechanistic Study of Oxygen Atom Transfer Catalyzed by Rhenium Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Shan, Xiaopeng [Iowa State Univ., Ames, IA (United States)

    2003-01-01

    Two ionic and one neutral methyl(oxo)rhenium(V) compounds were synthesized and structurally characterized. They were compared in reactivity towards the ligands triphenylphosphane, pyridines, pyridine N-oxides. Assistance from Broensted bases was found on ligand displacement of ionic rhenium compounds as well as nucleophile assistance on oxidation of all compounds. From the kinetic data, crystal structures, and an analysis of the intermediates, a structural formula of PicH+3- and mechanisms of ligand displacement and oxidation were proposed.

  11. Synthesis and characterization of nanometer sized thermoelectric lead-antimony-silver-tellurium compounds and related materials

    International Nuclear Information System (INIS)

    Petri, Denis

    2012-01-01

    The present dissertation deals with different variants of synthesis and processing of nanocrystalline composites of various thermoelectric compounds based on lead telluride including LAST-m (AgPb m SbTe m+2 ), LASTT-m-x (AgPb m-x Sn x SbTe m+2 ), LABST-m-x (AgPb m Sb 1-x Bi x Te m+2 ), doped LAST-m and (PbTe) m (M 15 2 Te 3 ) and the characterization thereof. A new route of manufacturing nanocrystalline composites was developed. The so called co-ball milling-route includes the synthesis of bi- or multinary compounds by conventional solid state melting methods followed by combined milling of appropriate amounts in a planetary ball mill; a process related to the widely used mechanical alloying of elemental powders. The as produced powders were shortly annealed for one hour and a.erwards compacted either at room temperature followed by pressureless sintering or combined application of high pressure and elevated temperatures via spark-plasma-sintering or short-term-sintering. The ball milling yielded micron-sized agglomerates consisting of crystallites with diameters ranging from 10 to 50 nm. These crystallites exhibited complicated internal nanostructures severe crystal defects as a consequence of the high energy processing. During short-term annealing some grain coarsening occured and the crystal defects partly healed, which was confirmed by TEM and HRTEM investigations as well as profile analysis of XRD powder pattern. Local EDX-analysis showed different compositions at every point as a consequence of synthesis and decomposition of the compounds. Measurements of thermopower, electrical and thermal conductivity were carried out and the values of the figure of merit ZT and the powerfactor were calculated. In general the compounds exhibited larger thermopower than corresponding bulk materials, which might be attributed to energy filtering of charge carriers at partly oxidized grain boundaries. Due to enhanced phonon scattering at grain boundarys, nanoscopic

  12. In Vitro Bioavailability Study of an Antiviral Compound Enisamium Iodide

    Directory of Open Access Journals (Sweden)

    Eleonore Haltner-Ukomadu

    2018-01-01

    Full Text Available An investigation into the biopharmaceutics classification and a study of the in vitro bioavailability (permeability and solubility of the antiviral compound enisamium iodide (4-(benzylcarbamoyl-1-methylpyridinium iodide were carried out. The solubility of enisamium iodide was determined in four different buffers. Apparent intestinal permeability (Papp of enisamium iodide was assessed using human colon carcinoma (Caco-2 cells at three concentrations. The solubility of enisamium iodide in four buffer solutions from pH 1.2 to 7.5 is about 60 mg/mL at 25 °C, and ranges from 130 to 150 mg/mL at 37 °C, depending on the pH. Based on these results, enisamium iodide can be classified as highly soluble. Enisamium iodide demonstrated low permeability in Caco-2 experiments in all tested concentrations of 10–100 μM with permeability coefficients between 0.2 × 10−6 cm s−1 and 0.3 × 10−6 cm s−1. These results indicate that enisamium iodide belongs to class III of the Biopharmaceutics Classification System (BCS due to its high solubility and low permeability. The bioavailability of enisamium iodide needs to be confirmed in animal and human studies.

  13. Treatment of mycosis fungoides with topical nitrosourea compounds: Further studies.

    Science.gov (United States)

    Zackheim, H S; Epstein, E H

    1975-12-01

    Twenty-six patients with mycosis fungoides were treated topically with three nitrosourea compounds: carmustine (BCNU), lomustine (CCNU), and 1-methyl-1-nitrosourea. A high percentage experienced good to excellent results. Remissions following treatment of individual lesions varied from one month to at least three years. Remissions following total body surface treatment varied from two weeks to at least four months. Two of 13 patients treated over the entire body suffered temporary bone marrow depression, indluding one with severe pancytopenia. This toxic effect was attributed to lomustine and was not seen in patients treated with carmustine alone. Thirteen patients highly allergic to mechlorethamine hydrochloride showed no cross-sensitivity to nitrosourea compounds. A primary irritant dermatitis occurred in about one half of the patients and telangiectasia in two. Two patients developed hypersensitivity to nitrosourea compounds. Carmustine is the preferred nitrosourea compound for topical therapy of mycosis fungoides.

  14. Environmental contamination and human exposure to dioxin-related compounds in e-waste recycling sites of developing countries.

    Science.gov (United States)

    Tue, Nguyen Minh; Takahashi, Shin; Subramanian, Annamalai; Sakai, Shinichi; Tanabe, Shinsuke

    2013-07-01

    E-waste recycling using uncontrolled processes is a major source of dioxin-related compounds (DRCs), including not only the regulated polychlorinated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs) and dioxin-like polychlorinated biphenyls (DL-PCBs) but also non-regulated brominated and mixed halogenated compounds (PBDD/Fs and PXDD/Fs). Various studies at informal e-waste recycling sites (EWRSs) in Asian developing countries found the soil contamination levels of PCDD/Fs from tens to ten thousand picogram TCDD-equivalents (TEQ) per gram and those of DL-PCBs up to hundreds of picogram TEQ per gram. The air concentration of PCDD/Fs was reported as high as 50 pg TEQ per m(3) in Guiyu, the largest Chinese EWRS. Non-regulated compounds also contributed substantially to the total DL toxicity of the DRC mixtures from e-waste, as evidenced by the high TEQ levels estimated for the currently identifiable PBDD/Fs as well as the large portion of unexplained bioassay-derived TEQ levels in soils/dusts from EWRSs. Considering the high exposure levels estimated for EWRS residents, especially children, comprehensive emission inventories of DRCs from informal e-waste recycling, the identities and toxic potencies of unidentified DRCs released, and their impacts on human health need to be investigated in future studies.

  15. Synthesis of polyhydroxylated compounds from Derythrose: enzymatic inhibition studies

    OpenAIRE

    Noro, Jennifer Martins

    2015-01-01

    Dissertação de mestrado em Química Medicinal This thesis is divided into two parts. At first, two starting synthon compounds were obtained: the benzylidene acetal D-erythrose aldehyde and the unsaturated lactone derived from this aldehyde. Both compounds were obtained following methods reported in the literature. The first part of the work focuses on aldehyde reactions with different primary aliphatic amines, yielding the respective imines. These were reduced to afford the ...

  16. Organochlorine compounds in streambed sediment and in biological tissue from streams and their relations to land use, central Arizona

    Science.gov (United States)

    Gebler, Joseph B.

    2000-01-01

    Streambed-sediment samples from 13 sites and biological-tissue samples from 11 sites in the Gila River Basin in central Arizona were analyzed for 32 organochlorine compounds in streambed sediment and 28 compounds in biological tissue during 1996 as part of the U.S. Geological Survey's National Water-Quality Assessment program. The objectives of the study were to determine the occurrence and distribution of organochlorine compounds and their relation to land use. Sampling sites were categorized on the basis of major land uses in the basin or the source of water in the stream. Because land uses were mixed or had changed over time, some land-use categories were combined. Sites were categorized as forest/rangeland (6), forest/urban (1), urban (4), or agricultural/urban (2). Thirteen organochlorine compounds were detected in streambed-sediment samples, and 10 were detected in tissue samples. The number of compounds found in streambed-sediment samples from individual sites ranged from 0 to 10, and the range for individual tissue samples was 0 to 7. Comparison of the number of detections in streambed-sediment samples to the number of detections in tissue samples from particular sites where both were sampled yielded five instances where more compounds were detected in streambed sediment, six instances where more compounds were detected in tissue, and five instances where the number of detections in streambed sediment and tissue were equal. The frequency of detection of particular compounds for sites where both streambed sediment and tissue were sampled resulted in five compounds being detected more frequently in streambed sediment, five more frequently in tissue, and three compounds that were equally frequent in streambed sediment and in tissue. Few contaminants were detected in samples from the forest/rangeland sites; greater numbers of compounds were detected at the urban sites and at the forest/urban site. The greatest number of compounds and the highest concentrations

  17. [Study on artificial compound feed for Buthus martensii].

    Science.gov (United States)

    Xu, Shi-Cai; Shen, Xue-Jian; Wang, Qiang; Han, Xiu-Kun

    2014-03-01

    To solve the problem that the single feed causing malnutrition, extension of the life cycle and low survival rates of Buthus martensii. By using Minitab (R) 15.1.1.0.0., 7 different kinds of compound feed were designed, including minced meat mud (pork,chicken and rabbit), bran (fried yellow), sugar, milk, vegetable paste and multivitamin as raw material. Different proportions of compound feed that taking the yellow mealworm as main component had a significant effect on the growth, mortality and birth number of Buthus martensii. Compound feed 5 significantly reduced mortality of youth scorpion. The compound feed 4 was the best in improving the weight of scorpion larvae and youth scorpion, and the farrowing number of mother scorpion. Other indicators were also good. Proportions in meatmud (pork, chicken and rabbit), bran (fried yellow), sugar, milk, vegetable paste and multivitamin was 30.00%, 25.00%, 20.08%, 15.58%, 8.08% and 1.25%, respectively. The growth of Buthus martensii is significantly influenced by the type of feed. In the production of compound feed, the yellow mealworm with compound feed 4 can be popularized.

  18. Existence of carcinine, a histamine-related compound, in mammalian tissues

    International Nuclear Information System (INIS)

    Flancbaum, L.; Brotman, D.N.; Fitzpatrick, J.C.; Van Es, Theodorus; Kasziba, E.; Fisher, H.

    1990-01-01

    Carcinine (β-alanylhistamine) was synthesized in vitro from histamine and β-alanine. It was detected quantitatively using an HPLC method previously described for the quantification of the related compounds histamine, histidine, carnosine and 3-methylhistamine. Carcinine was identified in several tissues of the rat, guinea pig, mouse and human, and was then shown to be metabolically related in vivo to histamine, histidine, carnosine and 3-methylhistamine through radioisotopic labeling. The results demonstrate that carcinine may be concurrently quantitated using the same HPLC method as that used to measure histamine, histidine, carnosine and 3-methylhistamine. These findings suggest a role for carcinine in the carnosine-histidine-histamine metabolic pathway and the mammalian physiologic response to stress

  19. (CaFeAs)10PtzAs8 superconductors and related compounds

    International Nuclear Information System (INIS)

    Stuerzer, Tobias

    2015-01-01

    The main topic of this dissertation is the identification of new compounds, structure determination, and substitution dependent investigation of properties in this new branch of the family of iron arsenide superconductors (Chapter 2). Chapter 2.1 presents the identification of the superconducting compounds and the corresponding structure elucidation identifying two dif-ferent species (CaFeAs) 10 Pt 3 As 8 and (CaFeAs) 10 Pt 4 As 8 in this family (abbreviated as 1038 and 1048 according to their stoichiometry). However, a closer look revealed a more challenging structure chemistry which is covered in Chapter 2.2. The following two Chapters 2.3 and 2.4 are devoted to (CaFeAs) 10 Pt 3 As 8 and more detailed investigations on this parent compound of the new superconductor family. Furthermore, transition metal substitution series (CaFe 1-x M x As) 10 Pt 3 As 8 were synthesized to investigate the resemblance to model systems Ba(Fe 1-x M x ) 2 As x and LaO(Fe 1-x M x )As in the scope of structural changes and superconductivity as described in Chapter 2.5. Initially amazing differences in superconducting properties com-paring 1038 and 1048 compounds are analyzed in Chapter 2.6 establishing an universal dop-ing model in the (CaFe 1-x M x As) 10 Pt z As 8 family. Additionally substituent dependent properties upon rare earth substitution in electron doped (Ca 1-y RE y FeAs) 10 Pt 3 As 8 are investigated in Chapter 2.7, while a detailed study of superconducting properties and magnetism in (Ca 1-y La y FeAs) 10 Pt 3 As 8 by the local μSR technique is presented in Chapter 2.8. In Chapter 2.9 a comparison of direct and electron doping is discussed based on codoping experiments in (Ca 1-y La y Fe 1-x Pt x As) 10 Pt 3 As 8 and (CaFe 1-x Pt x As) 10 Pt 4 As 8 . Finally, in Chapter 2.10 electron doping in stoichiometric 1048 is studied by charge compensation experiments in (Ca 1-y Na y FeAs) 10 Pt 4 As 8 . Chapter 3 is dedicated to a new family of calcium iron arsenides featuring

  20. Crystal growth of uranium compounds and study of UGe2

    International Nuclear Information System (INIS)

    Taufour, V.

    2011-01-01

    In this thesis, the study on the superconducting ferromagnet UGe 2 is presented. Crystal growth of UGe 2 single crystals was realized in a tetra-arc furnace using the Czochralski technique. This technique was also used to obtain high quality single crystals of other uranium compounds, notably UCoGe and URu 2 Si 2 . The Curie temperature of UGe 2 (T(Curie) = 53 K) decreases with pressure and is suppressed at p c = 1.5 GPa. Before being suppressed, the ferromagnetic transition changes from second to first order at a tricritical point. Precise resistivity and Hall resistivity measurements under pressure and magnetic field revealed the position of the tricritical point as well as its evolution under magnetic field which draw a wing structure phase diagram. Despite the theoretical prediction that this diagram is general for a ferromagnet, here we present the first experimental observation. Other measurements focus on the superconductivity (T sc = 0.75 K) which coexists with ferromagnetism under pressure. The bulk nature of the superconductivity is investigated by AC calorimetry measurements under pressure. The attention is turned to the interesting phenomenon of field enhanced superconductivity. (author) [fr

  1. Studies on the preparation of radioactive labelled compounds

    International Nuclear Information System (INIS)

    Kim, Jae-Rok; Park, Kyung-Bae; Awh, Ok-Doo

    1985-04-01

    To deveolp 99 mTc instant labelling kits of dimercaptosuccinic acid (DMSA), glucoheptonic acid (GH), and tin colloid, molar ratios of the host compound to the stannous chloride, amount of the stannous chloride and pH were, respectively, controlled. The labelling yields and radiochemical purities were checked by means of a paper chromatography. Animal studies and clinical applications were also carried out. The results indicated that DMSA/SnCl 2 2H 2 O 3/1(mole/mole), SnCl 2 2H 2 O 410ug/ml/vial, pH 2.5, Ca GH/SnCl 2 2H 2 O 53/1(mole/mole), SnCl 2 2H 2 O 350 ug/ml/vial, pH 6.5, NaF 100ug/vial, SnCl 2 2H 2 O 150 ug/ml/vial, pH. 5.6 etc, were optimal conditions for the preparation of DMSA-, GH-, and tin colloid-kits, respectively. (Author)

  2. Determinants of the Sensory Quality of Półgęsek in Relation to Volatile Compounds and Chemical Composition

    Directory of Open Access Journals (Sweden)

    Nowicka Katarzyna

    2017-12-01

    Full Text Available The objective of this study was to determine the sensory quality of a specific Polish traditional product made from cured and then smoked goose meat (półgęsek in relation to its volatile compounds and chemical composition. In general, the examined samples contained 66.2% water, 12.2% fat, 17.9% protein, 1.8% connective tissue, and 2.3% NaCl. Moreover, 47 volatile compounds were identified and quantified. The typical decomposition products derived from lipid oxidation, amino acid degradation, carbohydrate fermentation and microbial esterification were the main volatiles detected in all the samples. The volatiles generated by the smoking process and the ones originating from spices were also observed. The results of the sensory evaluation indicated that all the samples of the analyzed products were characterized by a high overall quality. Results of the Principal Component Analysis (PCA showed, however, that specific groups of products have their own unique sensory profile. Additionally, the sensory analysis confirmed the significant role of the chemical composition and volatile compounds in the development of the overall quality of półgęsek.

  3. Computational Study on Spirocyclic Compounds as Energetic Materials (I)

    Energy Technology Data Exchange (ETDEWEB)

    Seok, Won K. [Dongguk Univ., Seoul (Korea, Republic of)

    2014-04-15

    The molecular structures of 2,6-diaza-1,3,5,7-tetraoxaspiro heptane and its dinitro derivative, 2,6-dinitro-2,6-diaza-1,3,5,7-tetraoxaspiro heptane, were fully optimized without symmetry constraints at HF/6-31G level of theory. A bisected conformation with respect to the ring is preferred with a C{sub 2} symmetric structure. The density of each molecule in the crystalline state was estimated to 1.12 and 2.36 g/cm{sup 3} using PM3/VSTO-3G calculations from the molecular volume. The heat of formation was calculated for two compounds at the CBS-4M level of theory. The detonation parameters were computed using the EXPLO5 software: D = 6282 m/s, P{sub C-J} = 127 kbar for compound, D = 7871 m/s, P{sub C-J} = 307 kbar for compound, and D = 6975 m/s, P{sub C-J} = 170 kbar for 60% compound with 40% TNT. Specific impulse of compound 1 in aluminized formulation when used as monopropellants was very similar to that of the conventional ammonium perchlorate in the same formulation of aluminum.

  4. Impact of phenolic compounds and related enzymes in Sorghum varieties for resistance and susceptibility to biotic and abiotic stresses

    NARCIS (Netherlands)

    Dicko, M.H.; Gruppen, H.; Barro, C.; Traore, A.S.; Berkel, van W.J.H.; Voragen, A.G.J.

    2005-01-01

    Contents of phenolic compounds and related enzymes before and after sorghum grain germination were compared between varieties either resistant or susceptible to biotic (sooty stripe, sorghum midge, leaf anthracnose, striga, and grain molds) and abiotic (lodging, drought resistance, and photoperiod

  5. Thermochemical study of the isomeric compounds: 3-acetylbenzonitrile and benzoylacetonitrile

    International Nuclear Information System (INIS)

    Amaral, Luísa M.P.F.; Szterner, Piotr; Morais, Victor M.F.; Ribeiro da Silva, Manuel A.V.

    2015-01-01

    Highlights: • Enthalpies of formation of 3-acetylbenzonitrile and benzoylacetonitrile were determined by combustion calorimetry. • Enthalpies of sublimation determined by Calvet microcalorimetry. • Quantum chemical calculations allowed estimation of enthalpies of formation for all the isomers. • Structure and energy correlations were established. - Abstract: The standard (p° = 0.1 MPa) molar enthalpies of formation of 3-acetylbenzonitrile and benzoylacetonitrile, in the crystalline phase, were derived from the respective standard massic energies of combustion measured by static bomb combustion calorimetry, in oxygen, at T = 298.15 K. The standard molar enthalpies of sublimation, at T = 298.15 K, were measured by Calvet microcalorimetry. From the above experimentally determined enthalpic parameters, the standard molar enthalpies of formation in the gaseous phase, at T = 298.15 K, are found to be: (52.4 ± 2.1) kJ · mol"−"1 and (74.8 ± 2.5) kJ · mol"−"1 for 3-acetylbenzonitrile and benzoylacetonitrile, respectively. Molecular structures were computed using highly accurate ab initio techniques. Standard molar enthalpies of formation of the experimentally studied compounds were derived using an appropriate set of working reactions. Very good agreement between the calculated and the experimental values was obtained, so the calculations were extended to the estimates of the standard molar enthalpies of formation of 2- and 4-acetylbenzonitriles whose study was not performed experimentally. Our results were further interpreted and rationalized in terms of the enthalpic stability and compared to other relevant disubstituted benzenes.

  6. The Evolution of River–Lake and Urban Compound Systems: A Case Study in Wuhan, China

    Directory of Open Access Journals (Sweden)

    Wei Wang

    2015-12-01

    Full Text Available The process of urbanization takes up a lot of wetlands, profoundly changing the natural connection of surrounding river–lake systems, all the while causing serious damage to the environment of connected catchments. Urban systems and river–lake systems are not isolated and static, there is a relation between them which is constantly changing. Based on the idea of system research, the urban system is simplified into four subsystems: environment, infrastructure, social, and economic. These four components interact together, influencing the river–lake system to form a compound system. This paper aims to reflect the features and evolution laws of the compound system, by building a Collaborative Development Model to study the changing of the compound system in Wuhan, China over a 10-year period. The results show that by implementing the Donghu Lake Ecological River Network Engineering Project, the damaged river–lake system in Wuhan showed some improvement. However, in order to improve the sustainability of the compound system in Wuhan, the status of the river–lake system, social system and environment system, which are still comparatively substandard, should be constantly improved. The Collaborative Development Model could also be used in other cities and regions, to provide the basis for sustainable development.

  7. Atmospheric emissions in metropolitan France: compounds related to the increase of the greenhouse effect

    International Nuclear Information System (INIS)

    2011-01-01

    This report presents and comments statistical data and indicators on emissions of compounds involved in the greenhouse effect: carbon dioxide (CO 2 ), methane (CH 4 ), nitrogen dioxide (NO 2 ), hydro-fluorocarbon compounds (HFCs), per-fluorocarbon compounds (PFCs), sulphur hexafluoride (SF 6 ). For these compounds, the report indicates and comments world and French emission data, their evolution, and the shares of different sectors and their evolutions. It also comments the evolution of the global warming potential (GWP)

  8. A study on superoxide dismutase activity of some model compounds.

    Science.gov (United States)

    Liao, Z; Liu, W; Liu, J; Jiang, Y; Shi, J; Liu, C

    1994-08-15

    The synthesis and characteristics of a binuclear ligand N,N,N',N'-tetrakis (2'-benzimidazolyl methyl)-1,4-diethylene amino glycol ether (EGTB) and its series of coordination compounds containing copper(II), iron(III), and manganese(II) with and without exogenous bridging ligand which was imidazolate ion (Im-), bipyridine (bpy), or 1,10-phenanthroline (phen) are reported. Depending on the redox potentials by cyclic voltammetry, the coordination compounds can act as catalysts for the dismutation of superoxide radicals (O2-). The detection of the rate constant of the reaction of superoxide ion with nitroblue tetrazolium (NBT) which is inhibited by superoxide dismutase (SOD) and its model compounds of the EGTB system has been performed by a modified illumination method. The rate constants kQ of the catalytic dismutation have been obtained.

  9. Electrochemical study of two structurally related compounds and ...

    Indian Academy of Sciences (India)

    D Saritha

    2018-02-01

    Feb 1, 2018 ... lysts for selective oxidation of hydrocarbons. Numerous polyanionic ... attracted attention as positive electrodes because of the possibility of using the .... SEM pictures of (a) FeVMoO7, (b) CrVMoO7. the voltage of the cell ...

  10. A QSPR STUDY OF NORMAL BOILING POINT OF ORGANIC COMPOUNDS (ALIPHATIC ALKANES USING MOLECULAR DESCRIPTORS

    Directory of Open Access Journals (Sweden)

    B. Souyei

    2013-12-01

    Full Text Available A quantitative structure–property relationship (QSPR study is carried out to develop correlations that relate the molecular structures of organic compounds (Aliphatic Alkanes to their normal boiling point (NBP and two correlations were proposed for constitutionals and connectivity indices Models. The correlations are simple in application with good accuracy, which provide an easy, direct and relatively accurate way to calculate NBP. Such calculation gives us a model that gives results in remarkable correlations with the descriptors of blokes constitutionals (CON, and connectivity indices (CI (R2 = 0.950, δ = 0.766 (R2 = 0.969, δ = 0.782 respectively.

  11. Hygroscopicity of secondary organic aerosols formed by oxidation of cycloalkenes, monoterpenes, sesquiterpenes, and related compounds

    Directory of Open Access Journals (Sweden)

    V. Varutbangkul

    2006-01-01

    Full Text Available A series of experiments has been conducted in the Caltech indoor smog chamber facility to investigate the water uptake properties of aerosol formed by oxidation of various organic precursors. Secondary organic aerosol (SOA from simple and substituted cycloalkenes (C5-C8 is produced in dark ozonolysis experiments in a dry chamber (RH~5%. Biogenic SOA from monoterpenes, sesquiterpenes, and oxygenated terpenes is formed by photooxidation in a humid chamber (~50% RH. Using the hygroscopicity tandem differential mobility analyzer (HTDMA, we measure the diameter-based hygroscopic growth factor (GF of the SOA as a function of time and relative humidity. All SOA studied is found to be slightly hygroscopic, with smaller water uptake than that of typical inorganic aerosol substances. The aerosol water uptake increases with time early in the experiments for the cycloalkene SOA, but decreases with time for the sesquiterpene SOA. This behavior could indicate competing effects between the formation of more highly oxidized polar compounds (more hygroscopic, and formation of longer-chained oligomers (less hygroscopic. All SOA also exhibit a smooth water uptake with RH with no deliquescence or efflorescence. The water uptake curves are found to be fitted well with an empirical three-parameter functional form. The measured pure organic GF values at 85% RH are between 1.09–1.16 for SOA from ozonolysis of cycloalkenes, 1.01–1.04 for sesquiterpene photooxidation SOA, and 1.06–1.10 for the monoterpene and oxygenated terpene SOA. The GF of pure SOA (GForg in experiments in which inorganic seed aerosol is used is determined by assuming volume-weighted water uptake (Zdanovskii-Stokes-Robinson or 'ZSR' approach and using the size-resolved organic mass fraction measured by the Aerodyne Aerosol Mass Spectrometer. Knowing the water content associated with the inorganic fraction yields GForg values. However, for each precursor, the GForg values computed from different

  12. Study by infrared spectroscopy of coordination compounds of some ethers with aluminium chloride and bromide

    International Nuclear Information System (INIS)

    Derouault, Jean

    1968-01-01

    After having recalled some thermodynamic aspects related to electron donor-acceptor compounds, this research thesis reports the study of infrared spectra of 1-1R 2 O-AlX 3 complexes in a condensed state (X is either bromine or chlorine). The next part reports the study of infrared spectra of 2-1(R 2 O) 2 -AlX 3 complexes in a condensed state (X is also either bromine or chlorine), and the third part addresses the study of the formation of complexes of aluminium halides with ethers, in a dissolved state

  13. Crystal Growth of ZnSe and Related Ternary Compound Semiconductors by Vapor Transport in Low Gravity

    Science.gov (United States)

    Su, Ching-Hua; Ramachandran, N.

    2013-01-01

    Crystals of ZnSe and related ternary compounds, such as ZnSeS and ZnSeTe, will be grown by physical vapor transport in the Material Science Research Rack (MSRR) on International Space Station (ISS). The objective of the project is to determine the relative contributions of gravity-driven fluid flows to the compositional distribution, incorporation of impurities and defects, and deviation from stoichiometry observed in the crystals grown by vapor transport as results of buoyance-driven convection and growth interface fluctuations caused by irregular fluid-flows on Earth. The investigation consists of extensive ground-based experimental and theoretical research efforts and concurrent flight experimentation. The objectives of the ground-based studies are (1) obtain the experimental data and conduct the analyses required to define the optimum growth parameters for the flight experiments, (2) perfect various characterization techniques to establish the standard procedure for material characterization, (3) quantitatively establish the characteristics of the crystals grown on Earth as a basis for subsequent comparative evaluations of the crystals grown in a low-gravity environment and (4) develop theoretical and analytical methods required for such evaluations. ZnSe and related ternary compounds have been grown by vapor transport technique with real time in-situ non-invasive monitoring techniques. The grown crystals have been characterized extensively by various techniques to correlate the grown crystal properties with the growth conditions.

  14. Studies of U-Pu-C-Ti compounds

    International Nuclear Information System (INIS)

    Milet, C.

    1967-01-01

    The U-Pu-C-Ti compounds (5 to 20 atoms per cent Ti) have been studied in order to improve some properties of U-Pu-C carbides and to extend the existence field of the (U, Pu) C phase. The Pu/(U+Pu) ratio has been fixed to 15 per cent. All the alloys were elaborated and cast in an arc furnace. A two-phases field (U, Pu) C + Ti C exists which permits to avoid di- and sesqui-carbides and the (U, Pu) phase. An eutectic between (U, Pu) C and Ti C was found around 15 atoms per cent Ti. Practically the whole of the titanium is in Ti C form, titanium solubility in (U, Pu) C being inferior to 1 atom per cent. The most promising alloy are those containing two phases: (U, Pu) C+ Ti C. In comparison with the (U, Pu) C phase, titanium addition does not change very much the thermal expansion coefficients nor the thermal cycling behaviour between 160 and 1000 Celsius degrees which is excellent. On the other hand atmospheric corrosion behaviour is improved; compatibility with stainless steel is better; thermal conductivity, calculated from electrical resistivity K is enhanced: for U(0.85)-Pu(0.15)-C alloy we have K 0.179 W/cm.C at 1000 C and K = 0.187 W/cm.C at 1500 C, for U-Pu-C-Ti (10 atoms % Ti) alloy we have K = 0.193 W/cm.C at 1000 C and K = 0.205 W/cm.C at 1500 C. (author) [fr

  15. The action of sennosides and related compounds on human colon and rectum 1

    Science.gov (United States)

    Hardcastle, J. D.; Wilkins, J. L.

    1970-01-01

    The direct action of intraluminal senna and related compounds on the human colon and rectum has been investigated. Motility was recorded by balloon kymography with recording units inserted into well established transverse colostomies or into the rectum. The motility of the colon was not changed by intraluminal senna glycosides but the introduction of senna previously incubated with faeces or Esch. coli stimulated the colon to peristalt. The peristalsis was similar to that stimulated by rheinanthrone, an oxanthrone produced by chemical hydrolysis and reduction of senna. Both activated senna and rheinanthrone appeared to act in the colon by contact stimulation. No peristaltic response was stimulated in the rectum, either with activated senna or with rheinanthrone. PMID:4929273

  16. The development of the superconducting tetragonal PbO-type FeSe and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Wu, M.K. [Institute of Physics, Academia Sinica, Nankang, Taipei (China); Department of Physics, National Tsing Hua University, Hsinchu (China); Yeh, K.W.; Huang, T.W.; Chen, T.K.; Luo, J.Y.; Ke, C.T.; Rao, S.M.D. [Institute of Physics, Academia Sinica, Nankang, Taipei (China); Hsu, H.C.; Wang, M.J. [Institute of Astronomy and Astrophysics, Academia Sinica, Taipei (China); Chang, H.H. [Department of Physics, National Tsing Hua University, Hsinchu (China); Moh, M.H. [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu (China)

    2010-03-15

    An overview of the recent development of the superconducting FeSe{sub 1-x} and related compounds is presented. Methods to synthesize high purity poly-crystalline samples, single crystals, and thin films with preferred orientation are described. It was found that the effects of chemical doping to the Se-site or Fe-site are rather different. Ionic size of the doping is found to play critical role on the occurrence of superconductivity. We also review the physical properties, including transport, magnetic, and thermal properties. There exist interesting transport anomalies in the resistivity and Hall coefficient at low temperature; and it was found that a structural distortion at low temperature is critical to the occurrence of superconductivity in these materials. However, the exact origin of these observed anomalies are not clear, and the exact pairing symmetry in FeSe-based superconductors is also still in question. (Abstract Copyright [2010], Wiley Periodicals, Inc.)

  17. Surface Floating 2D Bands in Layered Nonsymmorphic Semimetals: ZrSiS and Related Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Topp, Andreas; Queiroz, Raquel; Grüneis, Andreas; Müchler, Lukas; Rost, Andreas W.; Varykhalov, Andrei; Marchenko, Dmitry; Krivenkov, Maxim; Rodolakis, Fanny; McChesney, Jessica L.; Lotsch, Bettina V.; Schoop, Leslie M.; Ast, Christian R.

    2017-12-01

    In this work, we present a model of the surface states of nonsymmorphic semimetals. These are derived from surface mass terms that lift the high degeneracy imposed in the band structure by the nonsymmorphic bulk symmetries. Reflecting the reduced symmetry at the surface, the bulk bands are strongly modified. This leads to the creation of two-dimensional floating bands, which are distinct from Shockley states, quantum well states or topologically protected surface states. We focus on the layered semimetal ZrSiS to clarify the origin of its surface states. We demonstrate an excellent agreement between DFT calculations and ARPES measurements and present an effective four-band model in which similar surface bands appear. Finally, we emphasize the role of the surface chemical potential by comparing the surface density of states in samples with and without potassium coating. Our findings can be extended to related compounds and generalized to other crystals with nonsymmorphic symmetries.

  18. Direct synthesis of polyglycolide and its related compounds. Polyglycolide oyobi kanren kagobutsu no chokusetsu gosei

    Energy Technology Data Exchange (ETDEWEB)

    Masuda, T. (National Chemical Laboratory for Industry, Tsukuba (Japan))

    1991-07-01

    This paper describes a direct synthesis utilizing polyglycolide and its related compound, carbon monoxide, and the summary of the latest research. Polyglycolide is a kind of polyester, and synthesized from glycolic acid as the starting material. Because this polymer is decomposed and absorbed in an organism, it is developed as surgical suture in the U.S.A. Polyglycolide has been hitherto synthesized by multi-step method processing from glycolic acid to glycolic acid low grade gaade polymer to glycolide, but in the latest research, polyglycolide was synthesized directly from carbon monoxide and formaldehyde. The polyglycolide thus obtained was observed to have micro-organism decomposability under the decomposition test in active sludge using the modified MITI process. The application field of polyglycolide includes release controlling capsules for agricultural chemicals, herbicides, insecticides, plasticizers, polymer blending constituents, film, thread, packaging material, as well as synthesizing material for glycolic acid. 11 refs., 3 figs.

  19. Study of thermodynamics and electronics properties of hybrids of substituted Haucke compounds

    International Nuclear Information System (INIS)

    Crivello, J.C.

    2005-06-01

    This manuscript presents a combined experimental and theoretical contribution to the study of the substituted Haucke phase AB5. These compounds can reversibly absorb hydrogen under conditions of pressure and temperature satisfactory for many technological applications including hydrogen storage. The thermodynamic characterization of the solid-gas reaction was carried out for mono and poly-substituted compounds. In the respect of good conditions of growth (decomposition) of the hydride phase, we sought to determine the thermodynamic trajectories allowed during some various transformations. The experimental results showed that the rate of transformation and the hierarchy of the return-points memory are the only parameters allowing to draw a general law related to the irreversible character of hysteresis. These systems evolve in 'static' mode, independent of the time and whatever the nature of host materials. Moreover, the effect of substitution elements on electronic properties has been studied using ab initio band structure calculations for the ANi 5 (A=La, Y, Ca) and LaNi 5-x M x compounds, where M is an element of the type s-p (Al, Si, Ge, Sn), of type s (Cu), or a transition metal (Mn, Fe, Co). While dissociating the structural effects, the role of the chemical interaction with hydrogen was analyzed. These results made it possible to identify the factors which control the stability of the hydrides and their maximum absorption capacity. The bulk moduli of these materials were calculated and their variation was discussed in relation to the properties of hydrogen absorption. (author)

  20. Phenolic compounds and carotenoids in pumpkin fruit and related traditional products

    Directory of Open Access Journals (Sweden)

    Zdunić Gordana M.

    2016-01-01

    Full Text Available Pumpkin fruit is used in a diet since ancient times especially in rural communities. The major contributory factors of nutritional and medicinal value of pumpkins are carotenoids, polysaccharides, vitamins, minerals, and phenolic compounds. Due to a very large fruit that it is not easy to consume a whole as well as short shelf-life of fresh-cut pumpkin, different ways of conserving and processing are performed. In our study, total carotenoids, total phenolics and individual phenolics in fresh pumpkin and pumpkin traditional products such as sweet in wine, jam and juice, which are typical for northern parts of Serbia, were studied. Total carotenoids ranged from 27.6 μg/g of pumpkin sweet in wine to 86.3 μg/g of fresh fruit, while the amount of total phenolics varied between 93.0 μg GAE/g of pumpkin juice and 905.9 μg GAE/g of fresh fruit. Eight phenolic compounds were identified in the investigated samples and among them phenolic acids dominated. Among flavonoids, flavanon glycoside hesperidin was detected. [Projekat Ministarstva nauke Republike Srbije, br. 46013

  1. LOSS OF ORGANIC CHEMICALS IN SOIL: PURE COMPOUND TREATABILITY STUDIES

    Science.gov (United States)

    Comprehensive screening data on the treatability of 32 organic chemicals in soil were developed. Of the evaluated chemicals, 22 were phenolic compounds. Aerobic batch laboratory microcosm experiments were conducted using two soils: an acidic clay soil with <1% organic matter and ...

  2. X-ray absorption spectroscopy on high-temperature superconductors and related compounds

    International Nuclear Information System (INIS)

    Pellegrin, E.J.H.A.

    1995-07-01

    The electronic structure of the cuprate high-temperature superconductors La 2-x Sr x CuO 4+δ , Tl 2 Ba 2 CaCu 2 O 8 and Tl 2 Ba 2 Ca 2 Cu 3 O 10 has been investigated using polarization-dependent near-edge X-ray absorption fine structure spectroscopy (NEXAFS). In addition, La 2-x Sr x NiO 4+δ has been included in the actual study as an isostructural analogue to the La 2-x Sr x CuO 4+δ system. It appears that the electronic structure of these compounds corresponds to that of a p-type doped charge-transfer insulator including electron-electron interactions on the Cu(Ni) sites and a strong hybridization between Cu(Ni) and O atoms. It is concluded that the low-energy excitations in these compounds can be described on the basis of an effective one-band Mott-Hubbard model. The polarization-dependence of the above spectra gives evidence for the strong in-plane character of the intrinsic and the doped holes. The small amount and the doping-dependence of the out-of-plane character of these charge carriers rule out models for a microscopic mechanism of superconductivity based on a large amount of hole states in the corresponding Apex-O2p z /Cu3d 3z 2 -r 2 orbitals. On the other hand, the reduction of this anisotropy in the overdoped compounds together with similar findings in the macroscopic properties seems to indicate a detrimental influence of non-planar orbitals on the superconducting properties. The differences in the energetic ordering and atomic character of the states close to the Fermi level between the undoped compounds La 2 CuO 4+δ , La 2 NiO 4+δ , and NiO have been determined from the NEXAFS data. It is found that these differences can be explained by the different size of the tetragonal crystal field splitting E Z compared to that of the Hund's rule interaction J H in these systems. This gives evidence for the high-spin d 8 ground state of the undoped nickelates (i.e. J H >E Z ). It is suggested that the polarons in La 2-x Sr x NiO 4+δ can be seen as non

  3. Synthesis of potentially bioactive compounds and tools for biological studies

    International Nuclear Information System (INIS)

    Cappa, F.

    2014-01-01

    NMR spectroscopy is one of the most versatile tools for studying structural parameters of organic and bioorganic compounds. It became a highly suitable method to achieve spectra simplification of macromolecules in combination with isotope labeling techniques. This technique is used to study protein structures, folding properties and mechanisms of chemical and biochemical reactions. Proteins typically feature a high molecular mass showing a high number of spin systems, being responsible for increasingly difficult to interpret NMR spectra, which is why it is essential to introduce 13 C- and 15 N- isotopes to obtain reasonable signal intensities. The development of a new synthetic route towards 13 C-isotope labeled Phenylalanine or precursors thereof, starting from inexpensive and easily accessible labeled starting materials, is the main purpose of this work. Label sources such as [ 13 C]-acetic acid, [ 13 C]-formaldehyde, [ 13 C]-allyl alcohol and [ 13 C]-glycine will be used. The synthetic pathway will be carried out in a way where the position-selective incorporation of labeled isotopes can be performed. This important feature of the synthesis may open access towards newly designed NMR-experiments. Key steps for the tested route are ring closing metatheses as well as indium mediated reactions. The second part of this work focuses on the field of sugar chemistry, in particular on the family of deoxy sugars, components of many natural products, found in different plants, fungi and bacteria. Deoxy sugars also participate in a wide range of biological processes. Special focus is given to 3-deoxy sugars and the research of a versatile and flexible synthetic route for their preparation starting from the easily accessible D-glyceraldehyde. These sugars are found on Gram-negative bacteria where they are a key component of the lipopolysaccharides, or where they can take place in the biosynthesis of aromatic amino acids in bacteria and plants. Being able to perform this

  4. Relationship Between Consumer Acceptability and Pungency-Related Flavor Compounds of Vidalia Onions.

    Science.gov (United States)

    Kim, Ha-Yeon; Jackson, Daniel; Adhikari, Koushik; Riner, Cliff; Sanchez-Brambila, Gabriela

    2017-10-01

    A consumer study was conducted to evaluate preferences in Vidalia onions, and define consumer acceptability thresholds for commonly analyzed flavor compounds associated with pungency. Two varieties of Vidalia onions (Plethora and Sapelo Sweet) were grown at 3 fertilizer application rates (37.5 and 0; 134.5 and 59.4; and 190 and 118.8 kg/ha of nitrogen and sulfur, respectively), creating 6 treatments with various flavor attributes to use in the study. Bulb soluble solids, sugars, pyruvic acid, lachrymatory factor (LF; propanethial S-oxide), and methyl thiosulfinate (MT) content were determined and compared to sensory responses for overall liking, intensity of the sharp/pungent/burning sensation (SPB), and intent to buy provided by 142 consumers. Onion pyruvate, LF, MT, and sugar content increased as fertilization rate increased, regardless of onion variety. Consumer responses showed participants preferred onions with low SPB, which correlated positively to lower pyruvate, LF and MT concentrations, but showed no relationship to total sugars in the onion bulb. Regression analyses revealed that the majority of consumers (≥55%) found the flavor of Vidalia onions acceptable when the concentrations of LF, pyruvic acid, and MT within the bulbs were below 2.21, 4.83, and 0.43 nmol/mL, respectively. These values will support future studies aimed at identifying the optimal cultivation practices for production of sweet Vidalia onions, and can serve as an industry benchmark for quality control, thus ensuring the flavor of Vidalia onions will be acceptable to the majority of consumers. This study identified the relationship between consumer preferences and commonly analyzed flavor compounds in Vidalia onions, and established thresholds for these compounds at concentrations which the majority of consumers will find desirable. These relationships and thresholds will support future research investigating how cultural practices impact onion quality, and can be used to assist

  5. Effect of DPA and 1-MCP on chemical compounds related to superficial scald of Granny Smith apples

    Energy Technology Data Exchange (ETDEWEB)

    Moggia, C.; Moya-Leon, M. A.; Pereira, M.; Yuri, J. A.; Lobos, G. A.

    2010-07-01

    Research was carried out to study the mode of action of diphenylamine (DPA) and 1-methylcyclopropene (1-MCP), on control of superficial scald of Granny Smith apples (Malus domestica Borkh.), and its relation with chemical compounds. Fruit was harvested from a commercial orchard in Chile, 182 and 189 days after full bloom and received the following treatments: DPA (2,000 ppm); 1-MCP (1.2 ppm) and control (no treatment). All fruit was stored for 4 or 6 months at 0 degree centigrade. A completely randomized factorial design was used (2 harvest dates by 3 post harvest treatments). Monthly measurements were made on maturity indices, ethylene production rate (EPR), scald related compounds [a-farnesene (AF), conjugated trienes (CT), total anti-oxidants (AO)], and cell membrane stability. Following 4 and 6 months of storage, plus 7 days at 20 degree centigrade, scald was evaluated. After 6 months, DPA-treated fruit, from both harvests, showed similar firmness, EPR and AO, compared to the control. However, AF and CT were lower, and cell membrane stability higher. Conversely, 1-MCP-treated fruit showed a noticeable EPR suppression and AF inhibition, along with higher firmness, lower CT and AO, compared to the control and DPA. Furthermore, cell membrane stability was superior to that of the control and similar to that of the DPA. Treated fruit (DPA and 1-MCP) showed an important reduction in scald compared to the control. The effect of 1-MCP on the investigated compounds and the reduction in scald, confirms that ethylene plays a major role on its development. (Author) 50 refs.

  6. Photosynthetic pigments and model compounds studied by pulse radiolysis

    International Nuclear Information System (INIS)

    Jensen, N.-H.

    1980-05-01

    The photosynthetic pigments chlorophyll a and alltrans-β-carotene as well as the quinone model compound duroquinone have been studied in solution by pulse radiolysis combined with time-resolved absorption and resonance Raman spectroscopy. In benzene solution the excited triplet states of the subtrates were produced either directly in the case of duroquinone or by triplet energy transfer from triplet naphthalene in the case of chlorophyll a and β-carotene. All relevant rate constants involved in the reactions of the excited states in benzene were determined, including i) the rate constants for energy transfer from triplet naphthalene to chlorophyll a with k = (3.6+-0.6).10 9 M -1 s -1 and β-carotene with k = (10.7+-1.2).10 9 M -1 s -1 ii) the rate constants of triplet annihilation of chlorophyll a: (1.4+-0.3).10 9 M -1 s -1 , β-carotene: (3.6+-0.4).10 9 M -1 s -1 , duroquinone: (3.0+-0.6).10 9 M -1 s -1 . For β-carotene it is suggested that triplet-triplet annihilation produces the optically forbidden excited 1 Asub(g) state. The first-order components of the triplet decays were strongly dependent upon irradiation dose in the case of naphthalene and duroquinone but apparently only slightly dependent on or independent or irradiation dose in the case of chlorophyll a and β-carotene. Apparent bimolecular rate constants for triplet quenching by radiolytically produced free radicals are determined. The triplet state of duroquinone is quenched by ground state duroquinone with a rate constant of (1.2+-0.3).10 6 M -1 s -1 . The excited triplet state of all-trans-β-carotene has been investigated by time-resolved resonance Raman spectroscopy. Six transient Raman bands at 965 cm -1 , 1009 cm -1 , 1125 cm -1 , 1188 cm -1 , 1236 cm -1 and 1496 cm -1 were observed. The spectra suggest that the C = C band order is decreased and that the molecule may be substantially twisted, presumably at the 15,15 1 band, in the triplet state. The radical anion of chlorophyll a with

  7. Review of the inhibition of biological activities of food-related selected toxins by natural compounds.

    Science.gov (United States)

    Friedman, Mendel; Rasooly, Reuven

    2013-04-23

    There is a need to develop food-compatible conditions to alter the structures of fungal, bacterial, and plant toxins, thus transforming toxins to nontoxic molecules. The term 'chemical genetics' has been used to describe this approach. This overview attempts to survey and consolidate the widely scattered literature on the inhibition by natural compounds and plant extracts of the biological (toxicological) activity of the following food-related toxins: aflatoxin B1, fumonisins, and ochratoxin A produced by fungi; cholera toxin produced by Vibrio cholerae bacteria; Shiga toxins produced by E. coli bacteria; staphylococcal enterotoxins produced by Staphylococcus aureus bacteria; ricin produced by seeds of the castor plant Ricinus communis; and the glycoalkaloid α-chaconine synthesized in potato tubers and leaves. The reduction of biological activity has been achieved by one or more of the following approaches: inhibition of the release of the toxin into the environment, especially food; an alteration of the structural integrity of the toxin molecules; changes in the optimum microenvironment, especially pH, for toxin activity; and protection against adverse effects of the toxins in cells, animals, and humans (chemoprevention). The results show that food-compatible and safe compounds with anti-toxin properties can be used to reduce the toxic potential of these toxins. Practical applications and research needs are suggested that may further facilitate reducing the toxic burden of the diet. Researchers are challenged to (a) apply the available methods without adversely affecting the nutritional quality, safety, and sensory attributes of animal feed and human food and (b) educate food producers and processors and the public about available approaches to mitigating the undesirable effects of natural toxins that may present in the diet.

  8. Antagonism of immunostimulatory CpG-oligodeoxynucleotides by quinacrine, chloroquine, and structurally related compounds.

    Science.gov (United States)

    Macfarlane, D E; Manzel, L

    1998-02-01

    Phosphorothioate oligodeoxynucleotides containing CpG (CpG-ODN) activate immune responses. We report that quinacrine, chloroquine, and structurally related compounds completely inhibit the antiapoptotic effect of CpG-ODN on WEHI 231 murine B lymphoma cells and inhibit CpG-ODN-induced secretion of IL-6 by WEHI 231. They also inhibit IL-6 synthesis and thymidine uptake by human unfractionated PBMC induced by CpG-ODN. The compounds did not inhibit LPS-induced responses. Half-maximal inhibition required 10 nM quinacrine or 100 nM chloroquine. Inhibition was noncompetitive with respect to CpG-ODN. Quinine, quinidine, and primaquine were much less powerful. Quinacrine was effective even when added after the CpG-ODN. Near-toxic concentrations of ammonia plus bafilomycin A1 (used to inhibit vesicular acidification) did not reduce the efficacy of the quinacrine, but the effects of both quinacrine and chloroquine were enhanced by inhibition of the multidrug resistance efflux pump by verapamil. Agents that bind to DNA, including propidium iodide, Hoechst dye 33258, and coralyne chloride did not inhibit CpG-ODN effect, nor did 4-bromophenacyl bromide, an inhibitor of phospholipase A2. Examination of the structure-activity relationship of seventy 4-aminoquinoline and 9-aminoacridine analogues reveals that increased activity was conferred by bulky hydrophobic substituents on positions 2 and 6 of the quinoline nucleus. No correlation was found between published antimalarial activity and ability to block CpG-ODN-induced effects. These results are discussed in the light of the ability of quinacrine and chloroquine to induce remission of rheumatoid arthritis and lupus erythematosus.

  9. Contribution to the study of chlorine, fluorine and oxygen compounds

    International Nuclear Information System (INIS)

    Barberi, Paul.

    1976-09-01

    The combustion heat of excess hydrogen in chloro fluoride compounds ClF, ClF 3 , ClF 5 and oxychloro fluoride compounds O 2 ClF, O 3 ClF, OClF 3 were determined in an original bomb calorimeter. This apparatus which can work at temperature up to 473K and under 10 atmospheres pressure as two compartments and high frequency electric spark ignition. The enthalpies of formation and bond energies are calculated. The temperature and enthalpies of the solid/solid and solid/liquid transformations were determined with a differential micro-calorimeter, of the fluxmeter type (M.C.B.) (sensibility 70μV detector/mW.cell, temperature range 80-1000K, maximal pressure 15 atmospheres) [fr

  10. Diffusion in intermetallic compounds studied using short-lived radioisotopes

    CERN Multimedia

    Diffusion – the long range movement of atoms – plays an important role in materials processing and in determining suitable applications for materials. Conventional radiotracer methods for measuring diffusion can determine readily how distributions of radioactive probe atoms in samples evolve under varying experimental conditions. It is possible to obtain limited information about atomic jump rates and pathways from these measurements; however, it is desirable to make more direct observations of the atomic jumps by using experimental methods that are sensitive to atomic scale processes. One such method is time-differential perturbed $\\gamma$–$\\gamma$-angular correlation spectroscopy (PAC). Two series of PAC experiments using $^{111m}$Cd are proposed to contribute to fundamental understanding of diffusion in intermetallic compounds. The goal of the first is to determine the dominant vacancy species in several Li$_{2}$-structured compounds and see if the previously observed change in diffusion mechanism th...

  11. Review of Brazilian activities related to the thorium fuel cycle and production of thorium compounds at IPEN-CNEN/SP

    International Nuclear Information System (INIS)

    Lainetti, Paulo E.O.; Freitas, Antonio A.; Mindrisz, Ana C.

    2013-01-01

    The Brazilian's interest in the nuclear utilization of thorium has started in the 50's as a consequence of the abundant occurrence of monazite sands. Since the sixties, IPEN-CNEN/SP has performed some developments related to the thorium fuel cycle. The production and purification of thorium compounds was carried out at IPEN for about 18 years and the main product was the thorium nitrate with high purity, having been produced over 170 metric tons of this material in the period, obtained through solvent extraction. The thorium nitrate was supplied to the domestic industry and used for gas portable lamps (Welsbach mantle). Although the thorium compounds produced have not been employed in the nuclear area, several studies were conducted. Therefore, those activities and the accumulated experience are of strategic importance, on one hand due to huge Brazilian thorium reserves, on the other hand by the resurgence of the interest of thorium for the Generation IV Advanced Reactors. This paper presents a review of the Brazilian research and development activities related to thorium technology. (author)

  12. Theoretical Study of the Compound Parabolic Trough Solar Collector

    OpenAIRE

    Dr. Subhi S. Mahammed; Dr. Hameed J. Khalaf; Tadahmun A. Yassen

    2012-01-01

    Theoretical design of compound parabolic trough solar collector (CPC) without tracking is presented in this work. The thermal efficiency is obtained by using FORTRAN 90 program. The thermal efficiency is between (60-67)% at mass flow rate between (0.02-0.03) kg/s at concentration ratio of (3.8) without need to tracking system.The total and diffused radiation is calculated for Tikrit city by using theoretical equations. Good agreement between present work and the previous work.

  13. Study on fluorescence of Maillard reaction compounds in breakfast cereals.

    Science.gov (United States)

    Delgado-Andrade, Cristina; Rufián-Henares, José A; Morales, Francisco J

    2006-09-01

    During the advanced stage of the Maillard reaction (MR) in food processing and cooking, Amadori rearrangement products undergo dehydration and fission and fluorescent substances are formed. Free and total (free + linked to the protein backbone) fluorescence (FIC) due to Maillard compounds in 60 commercial breakfast cereals was evaluated. Pronase was used for efficient release of linked fluorescent Maillard compounds from the protein backbone. Results were correlated with some heat-induced markers of the extent of the MR or sugar caramelisation during cereal processing, such as hydroxymethylfurfural, furfural, glucosilisomaltol and furosine. The effect of sample composition (dietary-fibre added, protein, etc.) on levels of FIC, expressed as fluorescence intensity (FI) per milligram of sample, is discussed. FIC is significantly correlated to the protein content of the sample and fluorescent Maillard compounds are mainly linked to the protein backbone. The ratio of total-FIC to free-FIC was 10.4-fold for corn-based, wheat-based and multicereal-based breakfast cereals but significantly higher in rice-based samples. Addition of dietary fibre or honey increased the FIC values. Data support the usefulness of FIC measurement as an unspecific heat-induced marker in breakfast cereals.

  14. [Study on the analysis of organogermanium compounds by ion chromatography].

    Science.gov (United States)

    Chen, Q; Mou, S; Hou, X; Ni, Z

    1997-05-01

    A new high performance ion exchange chromatographic method for separation and determination of three organogermanium compounds beta-carboxyethylgermanium sesquioxide (I), beta-(alpha-methyl) carboxyethylgermanium sesquioxide (II) and di-(beta-carboxyethyl) germanium hydroxide (III) has been developed. A Dionex DX-300 Ion Chromatograph equipped with a Dionex PED-II pulsed electrochemical detector (conductivity mode), a Dionex AMMS-1 anion micromembrane suppressor, and a Dionex ACI advanced computer interface coupled with AI-450 chromatographic software was employed. The separation was achieved by using a Dionex IonPac AS4A-SC column as analytical column, sodium tetraborate solution as eluent, and sulfuric acid solution as regenerant. For reducing run time, a gradient program was chosen. The detection limits (S/N = 3, expressed as germanium) for the three compounds were 0.038mg/L (I), 0.035mg/L (II) and 0.025mg/L (III), respectively. The method has been applied to the analysis of two tonic oral drinks, and the average recoveries for the three compounds ranged from 95%-101%. The results obtained were in agreement with those of hydride generation atomic fluorescence spectrometry (HG-AFS).

  15. Studies of Metal-Metal Bonded Compounds in Catalysis

    Energy Technology Data Exchange (ETDEWEB)

    Berry, John F. [Univ. of Wisconsin, Madison, WI (United States)

    2018-01-19

    The overall goals of this research are (1) to define the fundamental coordination chemistry underlying successful catalytic transformations promoted by metal-metal bonded compounds, and (2) to explore new chemical transformations that occur at metal-metal bonded sites that could lead to the discovery of new catalytic processes. Transformations of interest include metal-promoted reactions of carbene, nitrene, or nitrido species to yield products with new C–C and C–N bonds, respectively. The most promising suite of transition metal catalysts for these transformations is the set of metal-metal bonded coordination compounds of Ru and Rh of the general formula M2(ligand)4, where M = Ru or Rh and ligand = a monoanionic, bridging ligand such as acetate. Development of new catalysts and improvement of catalytic conditions have been stymied by a general lack of knowledge about the nature of highly reactive intermediates in these reactions, the knowledge that is to be supplied by this work. Our three specific objectives for this year have been (A) to trap, isolate, and characterize new reactive intermediates of general relevance to catalysis, (B) to explore the electronic structure and reactivity of these unusual species, and how these two properties are interrelated, and (C) to use our obtained mechanistic knowledge to design new catalysts with a focus on Earth-abundant first-row transition metal compounds.

  16. Relational Research and Organisation Studies

    DEFF Research Database (Denmark)

    Madsen, Charlotte Øland; Larsen, Mette Vinther; Hansen, Lone Hersted

    , analyzing organizational dialoguing, and polyphonic future-forming ways of writing up research.  Relational Research and Organisation Studies does not only present and discuss guidelines for practice at a onto-epistemological level but also presents and discusses concrete cases of research projects building...... on relational constructionist ideas. Furthermore, excerpts of data are presented and analyzed in order to explain the co-constructed processes of the inquiries more in detail. Relational Research and Organisation Studies invites the reader into the process of planning and carrying out relational constructionist......This volume lays out a variety of ways of engaging in research projects focused on exploring the everyday relational practices of organizing and leading is presented. The main focus is through elaborate examples from the author’s own research to further the understanding of how it is possible...

  17. Phase relation of LaFe11· 6Si1· 4 compounds annealed at different ...

    Indian Academy of Sciences (India)

    Home; Journals; Bulletin of Materials Science; Volume 35; Issue 2. Phase relation of LaFe11.6Si1.4 compounds annealed at different high-temperature and the magnetic property of LaFe11.6−CoSi1.4 compounds. Xiang Chen Yungui Chen Yongbai Tang. Volume 35 Issue 2 April 2012 pp 175-182 ...

  18. Synchrotron Diffraction Studies of Spontaneous Magnetostriction in Rare Earth Transition Metal Compounds

    International Nuclear Information System (INIS)

    Ning Yang

    2004-01-01

    Thermal expansion anomalies of R 2 Fe 14 B and R 2 Fe 17 C x (x = 0,2) (R Y, Nd, Gd, Tb, Er) stoichiometric compounds are studied with high-energy synchrotron X-ray powder diffraction using Debye-Schemer geometry in temperature range 10K to 1000K. Large spontaneous magnetostriction up to their Curie temperatures (T c ) is observed. The a-axes show relatively larger invar effects than c-axes in the R 2 Fe 14 B compounds whereas the R 2 Fe 17 C x show the contrary anisotropies. The iron sub-lattice is shown to dominate the spontaneous magnetostriction of the compounds. The contribution of the rare earth sublattice is roughly proportional to the spin magnetic moment of the rare earth in the R 2 Fe 14 B compounds but in R 2 Fe 17 C x , the rare earth sub-lattice contribution appears more likely to be dominated by the local bonding. The calculation of spontaneous magnetostrain of bonds shows that the bonds associated with Fe(j2) sites in R 2 Fe 14 B and the dumbbell sites in R 2 Fe 17 C x have larger values, which is strongly related to their largest magnetic moment and Wigner-Seitz atomic cell volume. The roles of the carbon atoms in increasing the Curie temperatures of the R 2 Fe 17 compounds are attributed to the increased separation of Fe hexagons. The R 2 Fe 17 and R 2 Fe 14 B phases with magnetic rare earth ions also show anisotropies of thermal expansion above T c . For R 2 Fe 17 and R 2 Fe 14 B the a a /a c > 1 whereas the anisotropy is reversed with the interstitial carbon in R 2 Fe 17 . The average bond magnetostrain is shown to be a possible predictor of the magnetic moment of Fe sites in the compounds. Both of the theoretical and phenomenological models on spontaneous magnetostriction are discussed and a Landau model on the spontaneous magnetostriction is proposed

  19. A QSAR, Pharmacokinetic and Toxicological Study of New Artemisinin Compounds with Anticancer Activity

    Directory of Open Access Journals (Sweden)

    Josinete B. Vieira

    2014-07-01

    Full Text Available The Density Functional Theory (DFT method and the 6-31G** basis set were employed to calculate the molecular properties of artemisinin and 20 derivatives with different degrees of cytotoxicity against the human hepatocellular carcinoma HepG2 line. Principal component analysis (PCA and hierarchical cluster analysis (HCA were employed to select the most important descriptors related to anticancer activity. The significant molecular descriptors related to the compounds with anticancer activity were the ALOGPS_log, Mor29m, IC5 and GAP energy. The Pearson correlation between activity and most important descriptors were used for the regression partial least squares (PLS and principal component regression (PCR models built. The regression PLS and PCR were very close, with variation between PLS and PCR of R2 = ±0.0106, R2ajust = ±0.0125, s = ±0.0234, F(4,11 = ±12.7802, Q2 = ±0.0088, SEV = ±0.0132, PRESS = ±0.4808 and SPRESS = ±0.0057. These models were used to predict the anticancer activity of eight new artemisinin compounds (test set with unknown activity, and for these new compounds were predicted pharmacokinetic properties: human intestinal absorption (HIA, cellular permeability (PCaCO2, cell permeability Maden Darby Canine Kidney (PMDCK, skin permeability (PSkin, plasma protein binding (PPB and penetration of the blood-brain barrier (CBrain/Blood, and toxicological: mutagenicity and carcinogenicity. The test set showed for two new artemisinin compounds satisfactory results for anticancer activity and pharmacokinetic and toxicological properties. Consequently, further studies need be done to evaluate the different proposals as well as their actions, toxicity, and potential use for treatment of cancers.

  20. Candidate PET radioligands for cannabinoid CB{sub 1} receptors: [{sup 18}F]AM5144 and related pyrazole compounds

    Energy Technology Data Exchange (ETDEWEB)

    Zizhong, Li [Center for Translational Neuroimaging, Brookhaven National Laboratory, Upton, NY 11973 (United States); Gifford, Andrew [Center for Translational Neuroimaging, Brookhaven National Laboratory, Upton, NY 11973 (United States); Qian, Liu [Center for Drug Discovery, Northeastern University, Boston, MA 02115 (United States); Thotapally, Rajesh [Center for Drug Discovery, Northeastern University, Boston, MA 02115 (United States); Yushin, Ding [Center for Translational Neuroimaging, Brookhaven National Laboratory, Upton, NY 11973 (United States); Makriyannis, Alexandros [Center for Drug Discovery, Northeastern University, Boston, MA 02115 (United States); Gatley, S John [Center for Translational Neuroimaging, Brookhaven National Laboratory, Upton, NY 11973 (United States) and Center for Drug Discovery, Northeastern University, Boston, MA 02115 (United States)

    2005-05-01

    Introduction: The mammalian brain contains abundant G protein-coupled cannabinoid CB{sub 1} receptors that respond to {delta}{sup 9}-tetrahydrocannabinol, the active ingredient of cannabis. The availability of a positron emission tomography (PET) radioligand would facilitate studies of the addictive and medicinal properties of compounds that bind to this receptor. Among the known classes of ligands for CB{sub 1} receptors, the pyrazoles are attractive targets for radiopharmaceutical development because they are antagonists and are generally less lipophilic than the other classes. Methods: A convenient high-yield synthesis of N-(4-[{sup 18}F]fluorophenyl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)- 1H-pyrazole-3-carboxamide (AM5144) was devised by coupling the appropriate pyrazole-3-carboxyl chloride compound with 4-[{sup 18}F]fluoroaniline. The labeled precursor was synthesized from 1-[{sup 18}F]fluoro-4-nitrobenzene in 60% radiochemical yield for 10 min using an improved procedure involving sodium borohydride reduction with cobalt chloride catalysis. The product was purified by HPLC to give a specific activity >400 mCi/{mu}mol and a radiochemical purity >95%, and a PET study was conducted in a baboon. Results: Although the regional uptake of AM5144 in baboon brain was consistent with binding to cannabinoid CB{sub 1} receptors, absolute uptake at <0.003% injected radioactivity per cubic centimeter was lower than the previously reported uptake of the radioiodinated pyrazole AM281. Conclusions: The relatively poor brain uptake of AM5144 and other pyrazole CB{sub 1} receptor ligands is not surprising because of their high lipophilicity as compared with most brain PET radiotracers. However, for nine pyrazole compounds for which rodent data are available, brain uptake and calculated logP values are not correlated. Thus, high logP values should not preclude evaluation of radiotracers for targets such as the CB{sub 1} receptor that may require very lipophilic ligands.

  1. Monitoring system for the study of autotrophic biofilms in bioremediation of polyaromatic compounds

    Science.gov (United States)

    Alarie, Jean P.; Bruttig, A.; Miller, Gordon H.; Hill, Walter; Vo-Dinh, Tuan

    1999-02-01

    Bacterial and other natural materials such as plants and algae have received increasing interest for bioremediation efforts. The identificatIon of materials capable of biodegrading or sequestering environmental pollutants offers an attractive alternative to chemical or physical means of remediation. A number of bacteria capable of biodegrAding organic or reducing metal pollutants have received great interest. Similarly, the use of natural plants to absorb pollutants from soil anD liquid samples is another potential approach. Our interest lies in identification of naturally occurring algae and their ability to absorb polyaromatic compounds (PAC) from groundwater sources (i.e. streams). These algae could serve as natural water filters for streams contaminated with Polyaromatic hydrocarbons. Polycyclic aromatic compounds, which comprise a complex class of condensed multi-ring benzenoid compounds, are important environmental pollutants originating from a wide variety of natural and anthropogenic sources. PACs are generally formed during incomplete combustion or pyrolysis of organic matter containing carbon and hydrogen. Because combustion of organic materials is involved in countless natural processes or human activities, PACs are omnipresent and abundant pollutants in air, soil and water. Among energy-related products, fossil fuels are the major sources of PACs. The primary sources of airborne PACs are associated with combustion, coal coking, and petroleum catalytic cracking. Coal and shale conversion also contribute to production of PACs. Production, transportation and, use of synthetic fuels and petroleum products provide emission sources for PACs. In urban environments an significant source of PACs is diesel exhaust. Food cooking and cigarette smoking activities contribute to PAC occurrence in indoor environments. Chemical analysis of PACs is of great environmental and toxicological interest because many of them have been shown to be mutagens and/or potent

  2. Theoretical Study of the Compound Parabolic Trough Solar Collector

    Directory of Open Access Journals (Sweden)

    Dr. Subhi S. Mahammed

    2012-06-01

    Full Text Available Theoretical design of compound parabolic trough solar collector (CPC without tracking is presented in this work. The thermal efficiency is obtained by using FORTRAN 90 program. The thermal efficiency is between (60-67% at mass flow rate between (0.02-0.03 kg/s at concentration ratio of (3.8 without need to tracking system.The total and diffused radiation is calculated for Tikrit city by using theoretical equations. Good agreement between present work and the previous work.

  3. Selected topics from recent NMR studies of organolithium compounds

    Directory of Open Access Journals (Sweden)

    Günther Harald

    1999-01-01

    Full Text Available After a short introduction to NMR spectroscopy of alkali and alkaline earth metals the review concentrates on NMR investigations of organolithium compounds. The isotopic fingerprint method, which rests on deuterium-induced isotope shifts for 6Li resonances, is introduced and exemplified with applications from the aggregation behavior of cyclopropyllithium systems and mixed aggregate formation between methyllithium and lithium salts. In the following chapter, one- and two-dimensional pulse experiments, both for homo- and for heteronuclear spin systems are discussed. Finally, the structural aspects associated with benzyllithium are outlined and the formation of polylithium systems by lithium reduction of biphenylenes is described.

  4. Studies on mushroom flavours 2. Flavour compounds in coprinus comatus.

    Science.gov (United States)

    Dijkstra, F Y; Wikén, T O

    1976-01-01

    In an aqueous extract of fruit bodies of Coprinus comatus 3-octanone, 3-octanol, 1-octen-3-ol, 1-octanol, 2-methyl-2-penten-4-olide, 1-dodecanol and caprylic acid were identified conclusively and n-butyric and isobutyric acids preliminarily. Amino-acids, nucleotides and sugars were also determined. A mixture of 37 compounds found in the extract had a stronger flavour than the natural extract. 3-Octanol, 1-octen-3-ol, 1-octanol and 2-methyl-2-penten-4-olide were the volatiles with the strongest flavour. Mass and IR spectra of 2-methyl-2-penten-4-olide are presented.

  5. Recent studies of transplutonium compounds: new directions and use of extreme conditions

    International Nuclear Information System (INIS)

    Peterson, J.R.; Begun, G.M.; Gibson, J.K.

    1987-01-01

    The number of bulk-phase compounds prepared and characterized for each of the transplutonium (TPu) elements drops off precipitously with increasing atomic number. However, efforts have been made to increase the number of TPu compounds known and also the range of investigative methods applied to their characterization. The results of a worldwide survey to determine the status of the preparation of new TPu compounds and/or the application of new investigative techniques to the study of such compounds in bulk will be presented. The focus will then shift to Oak Ridge projects: extreme conditions of pressure and/or temperature are being used for synthesis and for absorption and raman spectral studies; single crystals of trihalides are being grown for spectral and magnetic studies; new ternary chalcogenide-halide compounds are being characterized; vaporization thermodynamics of TPu compounds are being determined; and attempts to stabilize unusual oxidation states are being carried out

  6. Effect of Lignocellulose Related Compounds on Microalgae Growth and Product Biosynthesis: A Review

    Directory of Open Access Journals (Sweden)

    Krystian Miazek

    2014-07-01

    Full Text Available Microalgae contain valuable compounds that can be harnessed for industrial applications. Lignocellulose biomass is a plant material containing in abundance organic substances such as carbohydrates, phenolics, organic acids and other secondary compounds. As growth of microalgae on organic substances was confirmed during heterotrophic and mixotrophic cultivation, lignocellulose derived compounds can become a feedstock to cultivate microalgae and produce target compounds. In this review, different treatment methods to hydrolyse lignocellulose into organic substrates are presented first. Secondly, the effect of lignocellulosic hydrolysates, organic substances typically present in lignocellulosic hydrolysates, as well as minor co-products, on growth and accumulation of target compounds in microalgae cultures is described. Finally, the possibilities of using lignocellulose hydrolysates as a common feedstock for microalgae cultures are evaluated.

  7. Contribution to the study of magnetic properties of rare-earth iron intermetallic compounds

    International Nuclear Information System (INIS)

    Morariu, M.

    1976-01-01

    The intermetallic binary compounds Ysub(x)Fesub(y)(YFe 2 ,YFe 3 ,Y 6 Fe 23 ,Y 2 Fe 17 ), RFe 2 (R=Gd,Tb,Dy,Ho,Er and Tm) and the intermetallic pseudobinary compounds (Gdsub(x)Ysub(1-x))Fe 2 and Dy(Fesub(x)Nisub(1-x)) 3 were studied, using magnetic measurements and Moessbauer spectroscopy, in order to obtain information on their magnetic behaviour. The different models which describe magnetic interactions in rare-earths with 3d transition element compounds are reviewed. The magnetic hyperfine field Hsub(n) at the Fe 57 nucleus, measured by Moessbauer spectroscopy, depends on the atom position in the lattice, being sensitive to magnetic interactions with neighbouring atoms. The mean value of the magnetic hyperfine field, average Hsub(n) is proportional to the mean magnetic moment of the iron atom: average Hsub(n)/average μsub(Fe) approximately 150 kOe. The comparative study of the temperature dependence of average Hsub(n) and average μsub(Fe) values shows that this relation is valid for the whole range of magnetic ordering (T>Tsub(c)). The mean magnetic hyperfine fields at the Fe 57 nucleus in RFe 2 compounds depend on the rare-earth partner and vary approximative linearly with the Gennes factor. The spin reorientation diagram for the (Gdsub(x)Ysub(1-x))Fe 2 system is obtained. All results on Moessbauer spectroscopy are in good agreement with the magnetic measurements. The magnetic behaviour of iron atoms is justified using a model in which the most electrons are in a narrow band, so they could be considered localized, and the magnetic interactions between these atoms take place through a fraction (<5%) of 3d itinerant electrons. (author)

  8. Distributions of polyhalogenated compounds in Hudson River (New York, USA) fish in relation to human uses along the river

    International Nuclear Information System (INIS)

    Skinner, Lawrence C.

    2011-01-01

    PCBs (as Aroclor concentrations) have been extensively examined in fish along the Hudson River, but other xenobiotic chemicals in fish have had limited assessment. This study determined concentrations and congener distributions of polybrominated diphenyl ethers (PBDEs), polybrominated and polychlorinated dibenzo-p-dioxins and dibenzofurans (PBDD/Fs and PCDD/Fs), and polychlorinated biphenyls (PCBs) in smallmouth bass and striped bass taken from a 385 km reach of the Hudson River. Concentrations of PBDEs and PCBs in smallmouth bass, and PCBs in striped bass, were positively related to human uses of the compounds in the basin. Generally low levels of PCDD/Fs were found. One striped bass, however, contained elevated 2,3,7,8-TCDD, indicating exposure to a known source in the adjacent Newark Bay-Passaic River basin. PBDDs were generally below detection. PBDFs were present in four of 18 smallmouth bass, but were not detected in striped bass. Dioxin-like PCBs contribute most to 2,3,7,8-TCDD toxic equivalents in 29 of 30 samples. - Highlights: → In the Hudson River, → PBDEs in smallmouth bass follow human population patterns, but do not for striped bass. → Proximity to known PCB sources govern PCB levels and patterns in fish. → PBDFs were in smallmouth bass but not striped bass. PBDDs were present in one fish. → PCDD/Fs were low in 29 of 30 fish. A 2,3,7,8-TCDD source affected one striped bass. → PCBs contribute most to 2,3,7,8-TCDD toxic equivalents in 29 of 30 samples. - Residues of polyhalogenated compounds in resident and migratory fish from the Hudson River are compared with human uses of the compounds in the river basin.

  9. Distributions of polyhalogenated compounds in Hudson River (New York, USA) fish in relation to human uses along the river

    Energy Technology Data Exchange (ETDEWEB)

    Skinner, Lawrence C., E-mail: lxskinne@gw.dec.state.ny.us [New York State Department of Environmental Conservation, 625 Broadway, Albany, NY 12233 (United States)

    2011-10-15

    PCBs (as Aroclor concentrations) have been extensively examined in fish along the Hudson River, but other xenobiotic chemicals in fish have had limited assessment. This study determined concentrations and congener distributions of polybrominated diphenyl ethers (PBDEs), polybrominated and polychlorinated dibenzo-p-dioxins and dibenzofurans (PBDD/Fs and PCDD/Fs), and polychlorinated biphenyls (PCBs) in smallmouth bass and striped bass taken from a 385 km reach of the Hudson River. Concentrations of PBDEs and PCBs in smallmouth bass, and PCBs in striped bass, were positively related to human uses of the compounds in the basin. Generally low levels of PCDD/Fs were found. One striped bass, however, contained elevated 2,3,7,8-TCDD, indicating exposure to a known source in the adjacent Newark Bay-Passaic River basin. PBDDs were generally below detection. PBDFs were present in four of 18 smallmouth bass, but were not detected in striped bass. Dioxin-like PCBs contribute most to 2,3,7,8-TCDD toxic equivalents in 29 of 30 samples. - Highlights: > In the Hudson River, > PBDEs in smallmouth bass follow human population patterns, but do not for striped bass. > Proximity to known PCB sources govern PCB levels and patterns in fish. > PBDFs were in smallmouth bass but not striped bass. PBDDs were present in one fish. > PCDD/Fs were low in 29 of 30 fish. A 2,3,7,8-TCDD source affected one striped bass. > PCBs contribute most to 2,3,7,8-TCDD toxic equivalents in 29 of 30 samples. - Residues of polyhalogenated compounds in resident and migratory fish from the Hudson River are compared with human uses of the compounds in the river basin.

  10. The Occurrence of Flavonoids and Related Compounds in Flower Sections of Papaver nudicaule

    Directory of Open Access Journals (Sweden)

    Bettina Dudek

    2016-06-01

    Full Text Available Flavonoids play an important role in the pigmentation of flowers; in addition, they protect petals and other flower parts from UV irradiation and oxidative stress. Nudicaulins, flavonoid-derived indole alkaloids, along with pelargonidin, kaempferol, and gossypetin glycosides, are responsible for the color of white, red, orange, and yellow petals of different Papaver nudicaule cultivars. The color of the petals is essential to attract pollinators. We investigated the occurrence of flavonoids in basal and apical petal areas, stamens, and capsules of four differently colored P. nudicaule cultivars by means of chromatographic and spectroscopic methods. The results reveal the specific occurrence of gossypetin glycosides in the basal spot of all cultivars and demonstrate that kaempferol glycosides are the major secondary metabolites in the capsules. Unlike previous reports, the yellow-colored stamens of all four P. nudicaule cultivars are shown to contain not nudicaulins but carotenoids. In addition, the presence of nudicaulins, pelargonidin, and kaempferol glycosides in the apical petal area was confirmed. The flavonoids and related compounds in the investigated flower parts and cultivars of P. nudicaule are profiled, and their potential ecological role is discussed.

  11. Bradykinin-related compounds as new drugs for cancer and inflammation.

    Science.gov (United States)

    Stewart, John M; Gera, Lajos; Chan, Daniel C; Bunn, Paul A; York, Eunice J; Simkeviciene, Vitalija; Helfrich, Barbara

    2002-04-01

    Bradykinin (BK) (Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg) is an important growth factor for small-cell lung cancer (SCLC) and prostate cancer (PC). These cancers have cells of neuroendocrine origin and express receptors for a variety of neuropeptides. BK receptors are expressed on almost all lung cancer cell lines and on many PC cells. Our very potent BK antagonist B9430 (D-Arg-Arg-Pro-Hyp-Gly-lgl-Ser-D-Igl-Oic-Arg) (Hyp, trans-4-hydroxy-L-proline; Ig1, alpha-2-indanylglycine; Oic, octahydroindole-2-carboxylic acid) is a candidate anti-inflammatory drug but does not inhibit growth of SCLC or PC. When B9430 is dimerized by N-terminal cross-linking with a suberimide linker, the product B9870 is a potent growth inhibitor for SCLC both in vitro and in vivo in athymic nude mice. Daily i.p. injection at 5 mg x kg(-1) day(-1) beginning on day 8 after SCLC SHP-77 cell implantation gave 65% inhibition of tumor growth. B9870 stimulates apoptosis in SCLC by a novel "biased agonist" action. We have also developed new small mimetic antagonists. BKM-570 (F5C-OC2Y-Atmp) (F5C, pentafluorocinnamic acid; OC2Y, O-2,6-dichlorobenzyl tyrosine; Atmp, 4-amino-2,2,6,6-tetramethylpiperidine) is very potent for inhibition of SHP-77 growth in nude mice. When injected daily i.p. at 5 mg x kg(-1), M-570 gave 90% suppression of tumor growth. M-570 is more potent than the well-known anticancer drug cisPlatin (60% inhibition) or the recently developed SU5416 (40% inhibition) in this model. M-570 also showed activity against various other cancer cell lines in vitro (SCLC, non-SCLC, lung, prostate, colon, cervix) and inhibited growth of prostate cell line PC3 in nude mice. M-570 and related compounds evidently act in vivo through pathways other than BK receptors. These compounds have clinical potential for treatment of human lung and prostate cancers.

  12. Study on the lithium compound clusters using laser ablation

    International Nuclear Information System (INIS)

    Yokoyama, Keiichi

    2001-01-01

    Lithium-rich nonstoichiometric binary clusters including hyperlithiated molecules were found to be produced by a nanosecond laser ablation of lithium metal or compound target. Structural information on Li 3 O was obtained for the first time from experiments by measuring and analyzing photoionization efficiency curves of mass-selected ions. For example, the structure of Li 3 O was concluded to have both D 3h and C 2v symmetry. In other words, the vibrational wavefunction even at the ground state spreads over the C 2v and D 3h minima, which has been predicted as the global minimum in the latest theoretical calculations. Also, this is the first experimental evidence for electronomers'. (author)

  13. Rb-intercalated C60 compounds studied by photoemission spectroscopies

    International Nuclear Information System (INIS)

    Brambilla, A.; Giovanelli, L.; Vilmercati, P.; Cattoni, A.; Biagioni, P.; Goldoni, A.; Finazzi, M.; Duo, L.

    2005-01-01

    We report on a combined photoemission and inverse photoemission spectroscopy analysis on Rb x C 60 compounds with different stoichiometries (0-bar x-bar 6). Apart from shifts and broadening of the spectral features associated to the different phase formed, we observe in the RbC 60 phase the presence of the highest occupied molecular orbital (HOMO) shoulder and of its symmetric (with respect to the Fermi level) empty state. According to calculations, the metallicity of this phase and the presence of these electronic states may be taken as a fingerprint of the interplay between electron-electron and electron-phonon interactions in determining the electronic behavior of alkali metal fullerides

  14. Studies on electrochemical treatment of wastewater contaminated with organotin compounds

    Energy Technology Data Exchange (ETDEWEB)

    Arevalo, Eduardo [Hamburg University of Technology, Institute of Environmental Technology and Energy Economics, Eissendorfer Strasse 40, D-21073 Hamburg (Germany); Calmano, Wolfgang [Hamburg University of Technology, Institute of Environmental Technology and Energy Economics, Eissendorfer Strasse 40, D-21073 Hamburg (Germany)]. E-mail: calmano@tuhh.de

    2007-07-31

    Different anode materials were tested to evaluate their suitability to eliminate organotin compounds electrochemically from shipyard process waters. The capacity of two types of anode materials was investigated: niobium coated with boron-doped diamond (BDD) and titanium coated with iridium dioxide (Ti/IrO{sub 2}). The aim of this work was to characterize the performance of the process using both anode materials at different current densities, and also to evaluate the generation of by-products. A further objective of this work was to evaluate if operating at low potentials with BDD anodes (to avoid the generation of elemental oxygen) the consumption of energy for degradation of pollutants could be minimized. The processes were tested on synthetic and real shipyard water containing approximately 25,000 ng L{sup -1} of tributyltin (TBT) (as Sn) and 5000 ng L{sup -1} dibutyltin. The range of current densities was between 6 and 70 mA cm{sup -2}. The results showed that electrochemical treatment is suitable to eliminate organotins down to very low concentrations following a stepwise debutylation mechanism. Both anode materials exhibited a similar performance with energy consumption in the range of 7-10 kWh m{sup -3} in order to decrease organotins down to 100 ng L{sup -1} (as Sn). For the water composition tested, BDD did not outperform Ti/IrO{sub 2} as initially expected, most probably because organotins were not only oxidized by {center_dot}OH, but also by active chlorine compounds generated by the oxidation of chloride present in the wastewater (1.6 g L{sup -1}, Cl{sup -}) with both anode materials. It was also found that the residual oxidants remaining in the treated effluent had to be eliminated if the water is to be discharged safely in the aquatic environment.

  15. Studies on electrochemical treatment of wastewater contaminated with organotin compounds

    International Nuclear Information System (INIS)

    Arevalo, Eduardo; Calmano, Wolfgang

    2007-01-01

    Different anode materials were tested to evaluate their suitability to eliminate organotin compounds electrochemically from shipyard process waters. The capacity of two types of anode materials was investigated: niobium coated with boron-doped diamond (BDD) and titanium coated with iridium dioxide (Ti/IrO 2 ). The aim of this work was to characterize the performance of the process using both anode materials at different current densities, and also to evaluate the generation of by-products. A further objective of this work was to evaluate if operating at low potentials with BDD anodes (to avoid the generation of elemental oxygen) the consumption of energy for degradation of pollutants could be minimized. The processes were tested on synthetic and real shipyard water containing approximately 25,000 ng L -1 of tributyltin (TBT) (as Sn) and 5000 ng L -1 dibutyltin. The range of current densities was between 6 and 70 mA cm -2 . The results showed that electrochemical treatment is suitable to eliminate organotins down to very low concentrations following a stepwise debutylation mechanism. Both anode materials exhibited a similar performance with energy consumption in the range of 7-10 kWh m -3 in order to decrease organotins down to 100 ng L -1 (as Sn). For the water composition tested, BDD did not outperform Ti/IrO 2 as initially expected, most probably because organotins were not only oxidized by ·OH, but also by active chlorine compounds generated by the oxidation of chloride present in the wastewater (1.6 g L -1 , Cl - ) with both anode materials. It was also found that the residual oxidants remaining in the treated effluent had to be eliminated if the water is to be discharged safely in the aquatic environment

  16. Thinking Relationally about Studying "Up"

    Science.gov (United States)

    Stich, Amy E.; Colyar, Julia E.

    2015-01-01

    In this paper, the authors argue that despite a resurgence of elite studies, the majority of existing scholarship works to reify and legitimize social inequality through its language and method. In particular, the authors utilize Pierre Bourdieu's concept of relational thinking to review and critique contemporary research on elite education and…

  17. Comparative proteomics and protein profile related to phenolic compounds and antioxidant activity in germinated Oryza sativa 'KDML105' and Thai brown rice 'Mali Daeng' for better nutritional value.

    Science.gov (United States)

    Maksup, Sarunyaporn; Pongpakpian, Sarintip; Roytrakul, Sittiruk; Cha-Um, Suriyan; Supaibulwatana, Kanyaratt

    2018-01-01

    Brown rice (BR) and germinated brown rice (GBR) are considered as prime sources of carbohydrate and bioactive compounds for more than half of the populations worldwide. Several studies have reported on the proteomics of BR and GBR; however, the proteomic profiles related to the synthesis of bioactive compounds are less well documented. In the present study, BR and GBR were used in a comparative analysis of the proteomic and bioactive compound profiles for two famous Thai rice varieties: Khao Dawk Mali 105 (KDML) and Mali Daeng (MD). The proteomes of KDML and MD revealed differences in the expression patterns of proteins after germination. Total phenolic compound content, anthocyanin contents and antioxidant activity of red rice MD was approximately 2.6-, 2.2- and 9.2-fold higher, respectively, compared to that of the white rice KDML. Moreover, GBR of MD showed higher total anthocyanin content and greater antioxidant activity, which is consistent with the increase expression of several proteins involved in the biosynthesis of phenolic compounds and protection against oxidative stress. Red rice MD exhibits higher nutrient values compared to white rice KDML and the appropriate germination of brown rice could represent a method for improving health-related benefits. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  18. Symptoms of mothers and infants related to total volatile organic compounds in household products.

    Science.gov (United States)

    Farrow, Alexandra; Taylor, Hazel; Northstone, Kate; Golding, Jean

    2003-10-01

    The authors sought to determine whether reported symptoms of mothers and infants were associated significantly with the use of household products that raised indoor levels of total volatile organic compounds (TVOCs). Data collected from 170 homes within the Avon Longitudinal Study of Parents and Children (ALSPAC: a large birth cohort of more than 10,000) had determined which household products were associated with the highest levels of TVOCs. The latter data were collected over a period that approximated 6 mo of pregnancy and the infants' first 6 mo of life. This paper presents (a) the mothers' self-reports of the use of these products in their homes and (b) self-reported medical symptoms of mothers and infants postnatally. Higher TVOC levels were associated with air freshener and aerosol use. Infant diarrhea and earache were statistically significantly associated with air freshener use, and diarrhea and vomiting were significantly associated with aerosol use. Headache experienced by mothers 8 mo after birth was significantly associated with the use of air fresheners and aerosols; maternal depression was significantly associated with the use of air fresheners. The results of the study suggest a link between the use of products that raise indoor levels of TVOCs and an increased risk of certain symptoms among infants and their mothers.

  19. Elucidation of endocrine disrupting mechanism of dioxin and related compounds for health risk assessment

    Energy Technology Data Exchange (ETDEWEB)

    Tohyama, Chiharu [National Institute for Environmental Studies, Tsukuba (Japan)

    2004-09-15

    The important point on health risk assessment for dioxins as well as environmental endocrine disruptors is that we should scientifically evaluate whether the actual exposure level from food and environment may pose a threat to human health not only for the present but also for the future generations. We formulated a research project, called CREST project with support from the Japan Science and Technology Agency, in order to obtain experimental evidence for risk assessment as well as for the mechanism of toxicity. We thus investigated the dose-response relationships of certain 2,3,7,8-tetrachlorodibenzo-pdioxin (TCDD)-like compounds for eliciting various endpoints. First, we administered TCDD or coplanar polychlorinated biphenyl (PCB) to rats and mice during the sensitive period from fertilization to birth. Second, we studied what kinds of adverse effects could be observed in terms of reproductive/developmental effects, cognitive/learning abilities and immune functions. Third, we focused on the actual toxicity phenotypes found at the whole body and organ/tissue levels by a forward toxicology approach, and tried to narrow down appropriate phenomena, to study the mechanism on the molecular basis by the reverse toxicology approach. In this presentation, I will summarize the outcome of the CREST project.

  20. Synthesis, biological activity and computational studies of novel azo-compounds

    International Nuclear Information System (INIS)

    Ashraf, J.; Murtaza, S.; Mughal, E.U.; Sadiq, A.

    2017-01-01

    In the present protocol, we report the synthesis and characterization of some novel azo-compounds starting from 4-methoxyaniline and 4-aminophenazone, which were diazotized at low temperature. 4-nitrophenol, 2-aminobenzoic acid, benzamide, 4-aminobenzoic acid, resorcinol, o-bromonitrobenzene and 2-nitroaniline were used as active aromatic coupling compounds for the second step. The synthesized compounds were investigated for their potential antibacterial activities by using disc diffusion method against Escherichia coli, Shigellasonnei, Streptococcus pyrogenes, Staphylococcus aureus and Neisseria gonorrhoeae strains. They were also subjected to antioxidant activities by using DPPH method. Results revealed that the compounds of 4-methoxyaniline and 4-aminophenazone showed good antibacterial activity against all strains, where as some azo-compounds have moderate to good antioxidant activities. Furthermore, these compounds were studied by computational analysis. (author)

  1. Nanomaterial-Based Sensing and Biosensing of Phenolic Compounds and Related Antioxidant Capacity in Food

    OpenAIRE

    Flavio Della Pelle; Dario Compagnone

    2018-01-01

    Polyphenolic compounds (PCs) have received exceptional attention at the end of the past millennium and as much at the beginning of the new one. Undoubtedly, these compounds in foodstuffs provide added value for their well-known health benefits, for their technological role and also marketing. Many efforts have been made to provide simple, effective and user friendly analytical methods for the determination and antioxidant capacity (AOC) evaluation of food polyphenols. In a parallel track, ove...

  2. A study of a few compounds with unpaired f electrons

    International Nuclear Information System (INIS)

    Soulie, Edgar.

    1977-07-01

    Ligand field theory is applied to compounds of uranium (V) (configuration f 1 ), uranium (IV) (f 2 ), and to hexagonal neodymium sesquioxide A-Nd 2 O 3 (f 3 ). The reinterpretation of the electronic absorption and paramagnetic resonance spectra of UF 6 Cs allows a determination of the spin-orbit coupling constant, the Newman intrinsic crystal field parameters, and the orbital angular momentum reduction factors, pointing to a degree of sigma covalence for the 5f orbitals. Raman diffusion and carbon 13 SMR spectra of U(NCS) 8 [N(C 2 H 5 ) 4 ] 4 dissolved in CD 3 NO 2 show that cubical coordination for uranium, known for the solid, is maintained in solution. Thermal variation of the magnetic susceptibility of this complex, quantitatively interpreted, leads to the description of the energy levels of f 2 configuration. For U(CH 3 -CO-CH-CO-CH 3 ) 4 the interpretation of the susceptibility curve results into the prediction of the susceptibility anisotropy, and the calculation of the unpaired spin density on the methin proton. Last, it was shown by proton magnetic resonance that U(CF 3 -CO-CH-CO-C 6 H 5 ) 4 behaves as a chemical shift reagent [fr

  3. Comparison of zwitterionic N-alkylaminomethanesulfonic acids to related compounds in the Good buffer series

    Directory of Open Access Journals (Sweden)

    Robert D. Long

    2010-04-01

    Full Text Available Several N-alkyl and N,N-dialkylaminomethanesulfonic acids were synthesized (as zwitterions and/or sodium salts to be tested for utility as biological buffers at lower pH levels than existing Good buffer compounds (aminoalkanesulfonates with a minimum of two carbons between amine and sulfonic acid groups as originally described by Norman Good, and in common use as biological buffers. Our hypothesis was that a shorter carbon chain (one carbon between the amino and sulfonic acid groups should lower the ammonium ion pKa values. The alkylaminomethanesulfonate compounds were synthesized in aqueous solution by reaction of primary or secondary amines with formaldehyde/sodium hydrogensulfite addition compound. The pKa values of the ammonium ions of this series of compounds (compared to existing Good buffers was found to correlate well with the length of the carbon chain between the amino and sulfonate moeties, with a significant decrease in amine basicity in the aminomethanesulfonate compounds (pKa decrease of 2 units or more compared to existing Good buffers. An exception was found for the 2-hydroxypiperazine series which shows only a small pKa decrease, probably due to the site of protonation in this compound (as confirmed by X-ray crystal structure. X-ray crystallographic structures of two members of the series are reported. Several of these compounds have pKa values that would indicate potential utility for buffering at pH levels below the normal physiological range (pKa values in the range of 3 to 6 without aqueous solubility problems – a range that is problematic for currently available Good buffers. Unfortunately, the alkylaminomethanesulfonates were found to degrade (with loss of their buffering ability at pH levels below the pKa value and were unstable at elevated temperature (as when autoclaving – thus limiting their utility.

  4. Enhancement of protocatechuate decarboxylase activity for the effective production of muconate from lignin-related aromatic compounds.

    Science.gov (United States)

    Sonoki, Tomonori; Morooka, Miyuki; Sakamoto, Kimitoshi; Otsuka, Yuichiro; Nakamura, Masaya; Jellison, Jody; Goodell, Barry

    2014-12-20

    The decarboxylation reaction of protocatechuate has been described as a bottleneck and a rate-limiting step in cis,cis-muconate (ccMA) bioproduction from renewable feedstocks such as sugar. Because sugars are already in high demand in the development of many bio-based products, our work focuses on improving protocatechuate decarboxylase (Pdc) activity and ccMA production in particular, from lignin-related aromatic compounds. We previously had transformed an Escherichia coli strain using aroY, which had been used as a protocatechuate decarboxylase encoding gene from Klebsiella pneumoniae subsp. pneumoniae A170-40, and inserted other required genes from Pseudomonas putida KT2440, to allow the production of ccMA from vanillin. This recombinant strain produced ccMA from vanillin, however the Pdc reaction step remained a bottleneck during incubation. In the current study, we identify a way to increase protocatechuate decarboxylase activity in E. coli through enzyme production involving both aroY and kpdB; the latter which encodes for the B subunit of 4-hydroxybenzoate decarboxylase. This permits expression of Pdc activity at a level approximately 14-fold greater than the strain with aroY only. The expression level of AroY increased, apparently as a function of the co-expression of AroY and KpdB. Our results also imply that ccMA may inhibit vanillate demethylation, a reaction step that is rate limiting for efficient ccMA production from lignin-related aromatic compounds, so even though ccMA production may be enhanced, other challenges to overcome vanilate demethylation inhibition still remain.

  5. Chronic exposure to chlorophenol related compounds in the pesticide production workplace and lung cancer: a meta-analysis.

    Science.gov (United States)

    Zendehdel, Rezvan; Tayefeh-Rahimian, Raana; Kabir, Ali

    2014-01-01

    Chlorophenols (CPs) and related phenoxyacetic acids (PAs) are pesticide groups contaminated with highly toxic 2, 3, 7, 8-tetrachlorodibenzo-p-dioxin (TCDD) during production. PAs and CPs exposure is associated with risk of cancer, but the situation regarding lung cancer has not been clearly defined. We proposed a meta-analysis of published researches to evaluate relationship between chronic exposure to PAs and CPs in pesticide production workplaces and the risk of lung cancer. After searching PubMed, Scopus, Scholar Google, Web of Sciences until August 2013, the association between chronic PAs and CPs exposure in production workplace and lung cancer was studied in 15 cohort studies. The standardized mortality rate (SMR) and 95% confidence intervals (CI) were collected from the papers. We used random or fixed-effects models, Egger test, funnel plot and meta regression in our analysis. Five papers with six reports were included in the final analysis. The standardized mortality rate for lung cancer from the random model was 1.18 (95% CI: 1.03-1.35, p=0.014) with moderate heterogeneity. Publication bias was not found for included studies in meta-analysis (p=0.9). Our findings has strengthen the evidence of lung cancer from chronic exposure to chlorophenol related compounds (PAs, CPs).

  6. Study on the state of a surface of compounds of vanadium with light elements

    International Nuclear Information System (INIS)

    Povstugar, V.I.; Mikhajlova, S.S.; Trapeznikov, V.A.

    1976-01-01

    Roentgenoelectron study of powderlike compounds of vanadium with light elements (C, N, O, S) was carried out. The study was made in the temperature range of 70-500 deg C. The results were obtained in an electron magnetic spectrometer. Spectra of inner levels O 1S and V 2p and valance bands are presented. The experimental results can be employed for the study of synthesis problems of the given class of compounds. Due to high surface activity the study of catalytic properties of finely dispersed vanadium compounds by roentgenoelectron spectroscopy method gives much information about surface processes

  7. A SAR and QSAR study of new artemisinin compounds with antimalarial activity.

    Science.gov (United States)

    Santos, Cleydson Breno R; Vieira, Josinete B; Lobato, Cleison C; Hage-Melim, Lorane I S; Souto, Raimundo N P; Lima, Clarissa S; Costa, Elizabeth V M; Brasil, Davi S B; Macêdo, Williams Jorge C; Carvalho, José Carlos T

    2013-12-30

    The Hartree-Fock method and the 6-31G** basis set were employed to calculate the molecular properties of artemisinin and 20 derivatives with antimalarial activity. Maps of molecular electrostatic potential (MEPs) and molecular docking were used to investigate the interaction between ligands and the receptor (heme). Principal component analysis and hierarchical cluster analysis were employed to select the most important descriptors related to activity. The correlation between biological activity and molecular properties was obtained using the partial least squares and principal component regression methods. The regression PLS and PCR models built in this study were also used to predict the antimalarial activity of 30 new artemisinin compounds with unknown activity. The models obtained showed not only statistical significance but also predictive ability. The significant molecular descriptors related to the compounds with antimalarial activity were the hydration energy (HE), the charge on the O11 oxygen atom (QO11), the torsion angle O1-O2-Fe-N2 (D2) and the maximum rate of R/Sanderson Electronegativity (RTe+). These variables led to a physical and structural explanation of the molecular properties that should be selected for when designing new ligands to be used as antimalarial agents.

  8. A SAR and QSAR Study of New Artemisinin Compounds with Antimalarial Activity

    Directory of Open Access Journals (Sweden)

    Cleydson Breno R. Santos

    2013-12-01

    Full Text Available The Hartree-Fock method and the 6-31G** basis set were employed to calculate the molecular properties of artemisinin and 20 derivatives with antimalarial activity. Maps of molecular electrostatic potential (MEPs and molecular docking were used to investigate the interaction between ligands and the receptor (heme. Principal component analysis and hierarchical cluster analysis were employed to select the most important descriptors related to activity. The correlation between biological activity and molecular properties was obtained using the partial least squares and principal component regression methods. The regression PLS and PCR models built in this study were also used to predict the antimalarial activity of 30 new artemisinin compounds with unknown activity. The models obtained showed not only statistical significance but also predictive ability. The significant molecular descriptors related to the compounds with antimalarial activity were the hydration energy (HE, the charge on the O11 oxygen atom (QO11, the torsion angle O1-O2-Fe-N2 (D2 and the maximum rate of R/Sanderson Electronegativity (RTe+. These variables led to a physical and structural explanation of the molecular properties that should be selected for when designing new ligands to be used as antimalarial agents.

  9. Synthesis of reference compounds related to Chemical Weapons Convention for verification and drug development purposes – a Brazilian endeavour

    Science.gov (United States)

    Cavalcante, S. F. A.; de Paula, R. L.; Kitagawa, D. A. S.; Barcellos, M. C.; Simas, A. B. C.; Granjeiro, J. M.

    2018-03-01

    This paper deals with challenges that Brazilian Army Organic Synthesis Laboratory has been going through to access reference compounds related to the Chemical Weapons Convention in order to support verification analysis and for research of novel antidotes. Some synthetic procedures to produce the chemicals, as well as Quality Assurance issues and a brief introduction of international agreements banning chemical weapons are also presented.

  10. Simultaneous estimation of Ofloxacin and Cefixime in tablet form in presence of the inactive Ofloxacin USP Related compound A

    Directory of Open Access Journals (Sweden)

    Lobna A. Hussein

    2017-06-01

    The suggested method was validated in compliance with the ICH guidelines and was successfully applied for the quantification of Ofloxacin, Cefixime and Ofloxacin Related compound A in their commercial tablets. The method was also statistically compared to reference methods with no significant differences in performance.

  11. A novel familial case of diffuse leukodystrophy related to NDUFV1 compound heterozygous mutations

    NARCIS (Netherlands)

    Ortega-Recalde, Oscar; Fonseca, Dora Janeth; Patiño, Liliana Catherine; Atuesta, Juan Jaime; Rivera-Nieto, Carolina; Restrepo, Carlos Martín; Mateus, Heidi Eliana; van der Knaap, Marjo S.; Laissue, Paul

    2013-01-01

    NDUFV1 mutations have been related to encephalopathic phenotypes due to mitochondrial energy metabolism disturbances. In this study, we report two siblings affected by a diffuse leukodystrophy, who carry the NDUFV1 c.1156C>T (p.Arg386Cys) missense mutation and a novel 42-bp deletion. Bioinformatic

  12. Brazilian savanna fruits contain higher bioactive compounds content and higher antioxidant activity relative to the conventional red delicious apple.

    Directory of Open Access Journals (Sweden)

    Egle Machado de Almeida Siqueira

    Full Text Available The bioactive compounds content and the antioxidant activity (AA of twelve fruits native to the Cerrado were compared with the Red Delicious apple by means of the antiradical efficiency (using the 2,2-diphenyl-1-picrylhydrazil assay/DPPH, ferric reducing antioxidant power (FRAP and the β-carotene/linoleic system. The antiradical efficiency (AE and the kinetic parameters (Efficient concentration/EC50 and time needed to reach the steady state to EC50 concentration/TEC50 of the DPPH curve were also evaluated for comparison with the Trolox equivalent (TE values. A strong, significant and positive correlation was observed between the TE and AE values, whereas a weak and negative correlation was observed between TE and EC50, suggesting that the values of AE and TE are more useful for the determination of antiradical activity in fruits than the widely used EC50. The total phenolic content found in the fruits corresponded positively to their antioxidant activity. The high content of bioactive compounds (flavanols, anthocyanins or vitamin C relative to the apple values found in araticum, cagaita, cajuzinho, jurubeba, lobeira, magaba and tucum corresponded to the high antioxidant activity of these fruits. Flavanols and anthocyanins may be the main bioactive components in these Cerrado fruits. The daily consumption of at least seven of the twelve Cerrado fruits studied, particularly, araticum, cagaita, lobeira and tucum, may confer protection against oxidative stress, and thus, they may prevent chronic diseases and premature aging. The findings of this study should stimulate demand, consumption and cultivation of Cerrado fruits and result in sustainable development of the region where this biome dominates.

  13. Serum heavy metals and hemoglobin related compounds in Saudi Arabia firefighters

    Directory of Open Access Journals (Sweden)

    Al-Malki Abdulrahman L

    2009-07-01

    Full Text Available Abstract Background Firefighters are frequently exposed to significant concentrations of hazardous materials including heavy metals, aldehydes, hydrogen chloride, dichlorofluoromethane and some particulates. Many of these materials have been implicated in the triggering of several diseases. The aim of the present study is to investigate the effect of fire smoke exposure on serum heavy metals and possible affection on iron functions compounds (total iron binding capacity, transferrin saturation percent, ferritin, unsaturated iron-binding capacity blood hemoglobin and carboxyhemoglobin,. Subjects and methods Two groups of male firefighter volunteers were included; the first included 28 firefighters from Jeddah city, while the second included 21 firefighters from Yanbu city with an overall age rang of 20–48 years. An additional group of 23 male non-firefighters volunteered from both cities as normal control subjects. Blood samples were collected from all volunteer subjects and investigated for relevant parameters. Results The results obtained showed that there were no statistically significant changes in the levels of serum heavy metals in firefighters as compared to normal control subjects. Blood carboxyhemoglobin and serum ferritin were statistically increased in Jeddah firefighters, (p Conclusion Such results might point to the need for more health protective and prophylactic measures to avoid such hazardous health effects (elevated Blood carboxyhemoglobin and serum ferritin and decreased serum TIBC and UIBC that might endanger firefighters working under dangerous conditions. Firefighters must be under regular medical follow-up through standard timetabled medical laboratory investigations to allow for early detection of any serum biochemical or blood hematological changes.

  14. Thermodynamic and structure-property study of liquid-vapor equilibrium for aroma compounds.

    Science.gov (United States)

    Tromelin, Anne; Andriot, Isabelle; Kopjar, Mirela; Guichard, Elisabeth

    2010-04-14

    Thermodynamic parameters (T, DeltaH degrees , DeltaS degrees , K) were collected from the literature and/or calculated for five esters, four ketones, two aldehydes, and three alcohols, pure compounds and compounds in aqueous solution. Examination of correlations between these parameters and the range values of DeltaH degrees and DeltaS degrees puts forward the key roles of enthalpy for vaporization of pure compounds and of entropy in liquid-vapor equilibrium of compounds in aqueous solution. A structure-property relationship (SPR) study was performed using molecular descriptors on aroma compounds to better understand their vaporization behavior. In addition to the role of polarity for vapor-liquid equilibrium of compounds in aqueous solution, the structure-property study points out the role of chain length and branching, illustrated by the correlation between the connectivity index CHI-V-1 and the difference between T and log K for vaporization of pure compounds and compounds in aqueous solution. Moreover, examination of the esters' enthalpy values allowed a probable conformation adopted by ethyl octanoate in aqueous solution to be proposed.

  15. Evaluation of effectiveness and safety of a herbal compound in primary insomnia symptoms and sleep disturbances not related to medical or psychiatric causes.

    Science.gov (United States)

    Palmieri, Giancarlo; Contaldi, Paola; Fogliame, Giuseppe

    2017-01-01

    Sleep disturbances and related daytime activities impairment are common diseases nowadays. General practitioners are often the first health care professional asked to alleviate sleep disturbances and primary insomnia symptoms. Beyond a wide class of hypnotic drugs, botanicals can represent an alternative treatment for those kinds of symptoms. The scope of the present study is to evaluate safety and effectiveness of a herbal compound composed of valerian, hop, and jujube (Vagonotte ® ) on primary insomnia symptoms and sleep disturbances not related to medical or psychiatric causes. One hundred and twenty subjects with sleep disturbances symptoms were randomized in two branches of 60 persons each, receiving the herbal compound or placebo at dosage of two pills per day 30 minutes before their scheduled bedtime. All subjects were screened for precise items related to sleep quality and daytime activity at the beginning, after 10 days, and after 20 days of consecutive dietary supplement (or placebo) consumption. The participants remained blind to group assignment until all of them completed the trial. Sleep onset, numbers of nocturnal awakenings, and overall nocturnal slept time were assessed. A statistically significant difference between the two groups emerged. The group receiving the herbal compound showed a lower time of sleep onset compared to placebo group, the same result was obtained for total slept time and night awakenings frequency ( p Botanicals dietary supplement with relaxing and soothing properties can help practitioner to treat primary insomnia, especially when the risk/benefit profile of a patient does not sustain hypnotic drugs prescription. This clinical investigation on safety and effectiveness of a herbal compound made of valerian, hop, and jujube opens interesting perspectives on usage of herbal compound to manage primary insomnia. Further investigations could help in understanding herbal compounds' effectiveness on sleep disturbances.

  16. A Customizable Multimodality Imaging Compound That Relates External Landmarks to Internal Structures.

    Science.gov (United States)

    Semework, Mulugeta

    2015-12-01

    Numerous research and clinical interventions, such as targeting drug deliveries or surgeries and finding blood clots, abscesses, or lesions, require accurate localization of various body parts. Individual differences in anatomy make it hard to use typical stereotactic procedures that rely on external landmarks and standardized atlases. For instance, it is not unusual to incorrectly place a craniotomy in brain surgery. This project was thus performed to find a new and easy method to correctly establish the relationship between external landmarks and medical scans of internal organs, such as specific regions of the brain. This paper introduces an MRI, CT, and radiographically visible compound that can be applied to any surface and therefore provide an external reference point to an internal (eye-invisible) structure. Tested on nonhuman primates and isolated brain scans, this compound showed up with the same color in different scan types, making practical work possible. Conventional, and mostly of specific utility, products such as contrast agents were differentially colored or completely failed to show up and were not flexible. This compound can be customized to have different viscosities, colors, odors, and other characteristics. It can also be mixed with hardening materials such as acrylic for industrial or engineering uses, for example. Laparoscopy wands, electroencephalogram leads, and other equipment could also be embedded with or surrounded by the compound for ease in 3-dimensional visualizations. A pending U.S. patent endorses this invention. © 2015 by the Society of Nuclear Medicine and Molecular Imaging, Inc.

  17. An Analytical Approach for Relating Boiling Points of Monofunctional Organic Compounds to Intermolecular Forces

    Science.gov (United States)

    Struyf, Jef

    2011-01-01

    The boiling point of a monofunctional organic compound is expressed as the sum of two parts: a contribution to the boiling point due to the R group and a contribution due to the functional group. The boiling point in absolute temperature of the corresponding RH hydrocarbon is chosen for the contribution to the boiling point of the R group and is a…

  18. Data on coffee composition and mass spectrometry analysis of mixtures of coffee related carbohydrates, phenolic compounds and peptides

    Directory of Open Access Journals (Sweden)

    Ana S.P. Moreira

    2017-08-01

    Full Text Available The data presented here are related to the research paper entitled “Transglycosylation reactions, a main mechanism of phenolics incorporation in coffee melanoidins: inhibition by Maillard reaction” (Moreira et al., 2017 [1]. Methanolysis was applied in coffee fractions to quantify glycosidically-linked phenolics in melanoidins. Moreover, model mixtures mimicking coffee beans composition were roasted and analyzed using mass spectrometry-based approaches to disclose the regulatory role of proteins in transglycosylation reactions extension. This article reports the detailed chemical composition of coffee beans and derived fractions. In addition, it provides gas chromatography–mass spectrometry (GC–MS chromatograms and respective GC–MS spectra of silylated methanolysis products obtained from phenolic compounds standards, as well as the detailed identification of all compounds observed by electrospray mass spectrometry (ESI-MS analysis of roasted model mixtures, paving the way for the identification of the same type of compounds in other samples.

  19. Enhanced anti-tumor activity of a new curcumin-related compound against melanoma and neuroblastoma cells

    Directory of Open Access Journals (Sweden)

    Pastorino Fabio

    2010-06-01

    Full Text Available Abstract Background Sharing the common neuroectodermal origin, melanoma and neuroblastoma are tumors widely diffused among adult and children, respectively. Clinical prognosis of aggressive neuroectodermal cancers remains dismal, therefore the search for novel therapies against such tumors is warranted. Curcumin is a phytochemical compound widely studied for its antioxidant, anti-inflammatory and anti-cancer properties. Recently, we have synthesized and tested in vitro various curcumin-related compounds in order to select new anti-tumor agents displaying stronger and selective growth inhibition activity on neuroectodermal tumors. Results In this work, we have demonstrated that the new α,β-unsaturated ketone D6 was more effective in inhibiting tumor cells growth when compared to curcumin. Normal fibroblasts proliferation was not affected by this treatment. Clonogenic assay showed a significant dose-dependent reduction in both melanoma and neuroblastoma colony formation only after D6 treatment. TUNEL assay, Annexin-V staining, caspases activation and PARP cleavage unveiled the ability of D6 to cause tumor cell death by triggering apoptosis, similarly to curcumin, but with a stronger and quicker extent. These apoptotic features appear to be associated with loss of mitochondrial membrane potential and cytochrome c release. In vivo anti-tumor activity of curcumin and D6 was surveyed using sub-cutaneous melanoma and orthotopic neuroblastoma xenograft models. D6 treated mice exhibited significantly reduced tumor growth compared to both control and curcumin treated ones (Melanoma: D6 vs control: P and D6 vs curcumin P Neuroblastoma: D6 vs both control and curcumin: P . Conclusions Our data indicate D6 as a good candidate to develop new therapies against neural crest-derived tumors.

  20. Physical and chemical studies of superconduction properties of the intercalation compounds

    International Nuclear Information System (INIS)

    Eder, F.X.; Lerf, A.

    1980-01-01

    The superconducting properties of the intercalation compounds of layered dichalcogenides were studied. Our studies were concerned mainly to the alkali metal intercalation derivatives of TaS 2 and NbS 2 , and later on extended to the molecule intercalation compounds. The main difficulties with this class of superconductors result from varying material properties; these are therefore the subject of broad intensity in our investigations. The results received on the physical and chemical properties of the intercalation compounds is utilized for a phenomenological description of the factors mainly determining there superconducting properties. (orig.) [de

  1. Extraction and formation dynamic of oak-related volatile compounds from different volume barrels to wine and their behavior during bottle storage.

    Science.gov (United States)

    Pérez-Prieto, Luis J; López-Roca, Jose M; Martínez-Cutillas, Adrián; Pardo-Mínguez, Francisco; Gómez-Plaza, Encarna

    2003-08-27

    The extraction rate of furfuryl aldehydes, guaiacol, and 4-methylguaiacol, cis- and trans-oak lactone, and vanillin and the formation rate of furfuryl alcohol and the volatile phenols 4-ethylguaiacol and 4-ethylphenol have been studied in wines matured in different capacity oak barrels (220, 500, and 1000 L). Also, the behavior of these compounds during 1 year of wine bottle storage was followed. The lactones were extracted at a linear rate with large differences that depended on barrel volume. Those compounds related to oak toasting (guaiacol, 4-methylguaiacol, furfuryl aldehydes, and vanillin) seemed to be extracted faster during the first days of oak maturation except for vanillin, which required at least 3 months to accumulate in the wine. The volatile phenols, 4-ethylphenol and 4-ethylguaiacol, were formed in large quantities after the first 90 days of oak maturation, coinciding with the end of spring and beginning of summer. Wines matured in 1000-L oak barrels resulted in the lowest levels of volatile compound accumulation. During bottle storage, some compounds decreased in their concentration (5-methylfurfural, vanillin), others experienced increases in their levels (lactones, furfural, 4-ethylguaiacol, 4-ethylphenol), and the concentration of other compounds hardly changed (guaiacol, furfuryl alcohol).

  2. Study of local correlations of magnetic and multiferroic compounds

    CERN Multimedia

    Alves, E J

    We propose to study magnetic and multiferroic strongly correlated electron materials using radioactive nuclear probe techniques, at ISOLDE . Following the strategy of a previous project, IS390, our aim is to provide local and element selective information on some of the mechanisms that rule structural, charge and orbital correlations, electronic and magnetic interactions and the coupling of the associated degrees of freedom. The main technique used is Perturbed Angular Correlations (PAC), which allows combined magnetic and electric hyperfine studies. This study is complemented by the use of conventional characterisation techniques, and the investigation of relevant macroscopic properties.

  3. Synchrotron Diffraction Studies of Spontaneous Magnetostriction in Rare Earth Transition Metal Compounds

    Energy Technology Data Exchange (ETDEWEB)

    Yang, Ning [Iowa State Univ., Ames, IA (United States)

    2004-12-19

    Thermal expansion anomalies of R2Fe14B and R2Fe17Cx (x = 0,2) (R = Y, Nd, Gd, Tb, Er) stoichiometric compounds are studied with high-energy synchrotron X-ray powder diffraction using Debye-Schemer geometry in temperature range 10K to 1000K. Large spontaneous magnetostriction up to their Curie temperatures (Tc) is observed. The a-axes show relatively larger invar effects than c-axes in the R2Fe14B compounds whereas the R2Fe17Cx show the contrary anisotropies. The iron sub-lattice is shown to dominate the spontaneous magnetostriction of the compounds. The contribution of the rare earth sublattice is roughly proportional to the spin magnetic moment of the rare earth in the R2Fe14B compounds but in R2Fe17Cx, the rare earth sub-lattice contribution appears more likely to be dominated by the local bonding. The calculation of spontaneous magnetostrain of bonds shows that the bonds associated with Fe(j2) sites in R2Fe14B and the dumbbell sites in R2Fe17Cx have larger values, which is strongly related to their largest magnetic moment and Wigner-Seitz atomic cell volume. The roles of the carbon atoms in increasing the Curie temperatures of the R2Fe17 compounds are attributed to the increased separation of Fe hexagons. The R2Fe17 and R2Fe14B phases with magnetic rare earth ions also show anisotropies of thermal expansion above c. For R2Fe17 and R2Fe14B the a a/a c > 1 whereas the anisotropy is reversed with the interstitial carbon in R2Fe17. The average bond magnetostrain is shown to be a possible predictor of the magnetic moment of Fe sites in the compounds. Both of the theoretical and

  4. Diffusion coefficients-surface and interfacial tensions - Particular study of some lauryl compounds

    International Nuclear Information System (INIS)

    Morel, Jean-Emile

    1969-01-01

    Two important results of the double lipophilic and hydrophilic character of some heavy organic compounds with a polar group at the end of the chain, were studied: - In a first part, molecular diffusion coefficients were measured in order to prove the micellar aggregation of tri-laurylammonium nitrate in some organic solutions; - In a second part, the tensioactivity of some lauryl compounds (lauric acid, lauric alcohol, mono-laurylamine, etc.), was studied. (author) [fr

  5. A Pilot Stability Study of Dehydroepiandrosterone Rapid-dissolving Tablets Prepared by Extemporaneous Compounding.

    Science.gov (United States)

    Rush, Steven D; Vernak, Charlene; Zhao, Fang

    2017-01-01

    Dehydroepiandrosterone supplementation is used to treat a variety of conditions. Rapid-dissolving tablets are a relatively novel choice for compounded dehydroepiandrosterone dosage forms. While rapid-dissolving tablets offer ease of administration, there are uncertainties about the physical and chemical stability of the drug and dosage form during preparation and over long-term storage. This study was designed to evaluate the stability of dehydroepiandrosterone rapid-dissolving tablets just after preparation and over six months of storage. The Professional Compounding Centers of America rapid-dissolving tablet mold and base formula were used to prepare 10-mg strength dehydroepiandrosterone rapid-dissolving tablets. The formulation was heated at 100°C to 110°C for 30 minutes, released from the mold, and cooled at room temperature for 30 minutes. The resulting rapid-dissolving tablets were individually packaged in amber blister packs and stored in a stability chamber maintained at 25°C and 60% relative humidity. The stability samples were pulled at pre-determined time points for evaluation, which included visual inspection, tablet weight check, United States Pharmacopeia disintegration test, and stability-indicating high-performance liquid chromatography. The freshly prepared dehydroepiandrosterone rapiddissolving tablets exhibited satisfactory chemical and physical stability. Time 0 samples disintegrated within 40 seconds in water kept at 37°C. The high-performance liquid chromatographic results confirmed that the initial potency was 101.9% of label claim and that there was no chemical degradation from the heating procedure. Over six months of storage, there were no significant changes in visual appearance, physical integrity, or disintegration time for any of the stability samples. The high-performance liquid chromatographic results also indicated that dehydroepiandrosterone rapid-dissolving tablets retained >95% label claim with no detectable degradation

  6. μSR and NMR study of the superconducting Heusler compound YPd2Sn

    Science.gov (United States)

    Saadaoui, H.; Shiroka, T.; Amato, A.; Baines, C.; Luetkens, H.; Pomjakushina, E.; Pomjakushin, V.; Mesot, J.; Pikulski, M.; Morenzoni, E.

    2013-09-01

    We report on muon-spin rotation and relaxation (μSR) and 119Sn nuclear magnetic resonance (NMR) measurements to study the microscopic superconducting and magnetic properties of the Heusler compound with the highest superconducting transition temperature, YPd2Sn (Tc=5.4 K). Measurements in the vortex state provide the temperature dependence of the effective magnetic penetration depth λ(T) and the field dependence of the superconducting gap Δ(0). The results are consistent with a very dirty s-wave BCS superconductor with a gap Δ(0)=0.85(3) meV, λ(0)=212(1) nm, and a Ginzburg-Landau coherence length ξGL(0)≅23 nm. In spite of its very dirty character, the effective density of condensed charge carriers is high compared to that in the normal state. The μSR data in a broad range of applied fields are well reproduced by taking into account a field-related reduction of the effective superconducting gap. Zero-field μSR measurements, sensitive to the possible presence of very small magnetic moments, do not show any indications of magnetism in this compound.

  7. A study of compound particles in pion-nucleus interactions

    International Nuclear Information System (INIS)

    Ahmad, Tufail

    2012-01-01

    In this paper, the phenomenon of multiparticle production has been studied using the nuclear emulsion technique. Nuclear emulsion is a material which memorises the tracks of charged particles. When an incident particle interacts with the nuclei of the emulsion, secondary particles are produced. These secondary particles are classified into three categories viz., shower (Ns), grey (Ng) and black (Nb) particles. The investigation of particle-nucleus collisions is fundamental for understanding the nature of the interaction process. In such studies most of the attention was paid to the relativistic charged particles that is showers (1-3). From the survey of literature it is found that slow particles (grey and black) are less studied in comparison to charged shower particles. Grey particles may provide some valuable information and it may be taken as good measure of number of collisions made by the incident particle

  8. Study of the interactions between uranium and organic compounds in the hydrothermal systems

    International Nuclear Information System (INIS)

    Salze, David

    2008-01-01

    Formers studies on the relations between organic matter and uranium have shown that these interactions go since the complexation and the transport of uranium in organics fluids until its reduction by the organic matter leading to the uranium-bearing mineral precipitation. An experimental study of these reactions to 200 deg. C and 500 bars between experimental compounds (pure organic compounds) such as the n-alkanes (n-pentane, n-hexane, n-heptane, n-octane, n-nonane, n-decane, n-dodecane, n-tetradecane and n-hexadecane), an n-alkene hydrocarbon (n-dec-1-ene), cycles (butyl-cyclohexane and cyclo-hexane) and the aromatic ones (butyl-benzene and naphthalene), and hexavalent uranium oxides was undertaken. These experiments allowed to show a progressive oxidation of n-alkanes starting from made up C6. The increasing size of the aliphatic chains and the increase in the time of setting in interaction are major factors of the increase in the environment oxidizing capacity in interaction with uranium on the organic compound. The determination of the oxidation step of uranium oxides after experiment made it possible to determine that in aqueous environment the aliphatic model compounds are reducers more powerful than the aromatic compounds. An organic matter from lake or marine origin generally has an aliphatic fraction larger than the organic matter of continental origin and thus will be more likely to reduce uranium. A natural example, the uranium deposits in the sandstones from Arlit, the tectono-lithologic type, was selected in order to apply the results obtained in the experimental part. They are located in fluviatile sandstones rich in organic matter of continental origin (type III) deposited in the paleo-channels. Former authors considered that only this organic matter of type III was responsible for the reduction of U (VI) in U (IV). Work which was undertaken in the present study shows that migrated oils of probable marine origin strongly contributed to the genesis

  9. [Relationship among glycated compounds, superoxide dismutase activities, and other related analytes in diabetic patients classified by ages].

    Science.gov (United States)

    Maehata, E; Shimomura, H; Kiyose, H; Hayashi, A; Sakagishi, Y

    1991-07-01

    Among several glycated compounds (GC) which are based on Maillard reaction, glycated hemoglobin (HbA1c) and fructosamine (FRA) have been utilized widely as a markers of diabetes. Recently, glycated albumin (GA) has been pointed out as a new indicator. For the determination of GA, spectrophotometry combined with an affinity column method has been mainly used, however the procedure is complicated. Recently a two-column HPLC method (ion-exchange column and affinity column) has been developed by Shima. We have evaluated a GA analyzer GAA-2000 based on Shima's method. After a series of fundamental and performance evaluation studies, the GAA-2000 was found to be appropriate for our study. Reference values obtained from this equipment were 10.56-16.87%. Correlation coefficients based on GA using diabetic and diabetic nephropathy patient specimens (n = 87) were: FRA (r = 0.944) greater than HbA1c (r = 0.842) greater than Glucose (r = 0.510) Superoxide dismutase (SOD) and lipid peroxidase (LPO) with are produced in relation to active oxygen did not show a good correlation. Although we tried classify the patients according to juvenile (20-39), middle (40-64) and senile (greater than 65) the method of Asada et al., we could not find any distinct tendencies.

  10. Core-shell particles as model compound for studying fouling

    DEFF Research Database (Denmark)

    Christensen, Morten Lykkegaard; Nielsen, Troels Bach; Andersen, Morten Boel Overgaard

    2008-01-01

    Synthetic colloidal particles with hard cores and soft, water-swollen shells were used to study cake formation during ultrafiltration. The total cake resistance was lowest for particles with thick shells, which indicates that interparticular forces between particles (steric hindrance...... and electrostatic repulsion) influenced cake formation. At low pressure the specific cake resistance could be predicted from the Kozeny-Carman equation. At higher pressures, the resistance increased due to cake compression. Both cake formation and compression were reversible. For particles with thick shells...

  11. Effect of five enological practices and of the general phenolic composition on fermentation-related aroma compounds in Mencia young red wines.

    Science.gov (United States)

    Añón, Ana; López, Jorge F; Hernando, Diego; Orriols, Ignacio; Revilla, Eugenio; Losada, Manuel M

    2014-04-01

    The effects of five technological procedures and of the contents of total anthocyanins and condensed tannins on 19 fermentation-related aroma compounds of young red Mencia wines were studied. Multifactor ANOVA revealed that levels of those volatiles changed significantly over the length of storage in bottles and, to a lesser extent, due to other technological factors considered; total anthocyanins and condensed tannins also changed significantly as a result of the five practices assayed. Five aroma compounds possessed an odour activity value >1 in all wines, and another four in some wines. Linear correlation among volatile compounds and general phenolic composition revealed that total anthocyanins were highly related to 14 different aroma compounds. Multifactor ANOVA, considering the content of total anthocyanins as a sixth random factor, revealed that this parameter affected significantly the contents of ethyl lactate, ethyl isovalerate, 1-pentanol and ethyl octanoate. Thus, the aroma of young red Mencia wines may be affected by levels of total anthocyanins. Copyright © 2013 Elsevier Ltd. All rights reserved.

  12. Development and evaluation of a radioimmunoassay for the detection of amphetamine and related compounds in biological fluids

    International Nuclear Information System (INIS)

    Mason, P.A.; Bal, T.S.; Law, B.; Moffat, A.C.

    1983-01-01

    A radioimmunoassay has been developed for the detection of amphetamine and its analogues in blood and urine without any pretreatment of the samples. It is based on a commercially available antiserum and a [ 125 I] iodinated derivative of amphetamine. The assay can detect low levels of amphetamine (less than 10 ng ml - 1 ) in very small samples (50 μl) of blood and urine. It is cheap (3 pence per test), rapid, simple to perform and is specific for compounds closely related to amphetamine. A high, positive correlation was obtained (r = 0.93) when results of the analyses of urine samples from volunteers who had ingested amphetamine were compared with those produced by gas chromatography - mass spectrometry. The assay has proved very useful for the detection of amphetamine and closely related compounds in biological fluids. (author)

  13. Study of air purification in the production of radioactive compounds

    International Nuclear Information System (INIS)

    Fradin, J.; Desroches, J.

    1958-12-01

    As the fabrication of radio-elements takes place in almost airtight enclosures in which a frequent air renewal is required, and while taking the purification rate into account (1.000 to 5.000 m 3 /h), the authors report the study of wet purification in conjunction with dry purification through paper filters, in order to capture dusts. An apparatus has been implemented which allows high gas flow rates. A radioactive aerosol has been introduced in this apparatus and its efficiency has been measured by different means. The authors describe the instrumentation (column, aerosol generator), operation, rate adjustment, and losses. Aerosols of manganese and sodium have been used. Their particle granulometry has been determined. The authors report several types of tests [fr

  14. Sediment Transport Study in Haeundae Beach using Radioisotope Labelled Compound

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Jin Seop; Kim, Jong Bum; Jung, Sung Hee [Korea Atomic Energy Research Institute, Taejon (Korea, Republic of); Lee, Jong Sup [Pukyong National Univ., Busan (Korea, Republic of)

    2005-07-01

    Haeundae beach is one of the most famous resorts in Korea and plays an important role as a special tourism district. However, the length and width of the beach are being reduced continuously, which would have bad influence on the regional economy and be the financial burden to the local authority considering that a large amount of budget is spent in the beach nourishment annually. Hence, it is necessary to understand the dynamic behavior of sediments in the coast for the systematic preservation plan of coastal environment. Lately a monitoring system using radioactive isotope as tracers is considered as a novel technique in understanding the dynamic transport of sediments. The objective of this study is to investigate the possible variations in sedimentary distribution and quantify the characteristics of sediments using radiotracer.

  15. Sediment Transport Study in Haeundae Beach using Radioisotope Labelled Compound

    International Nuclear Information System (INIS)

    Kim, Jin Seop; Kim, Jong Bum; Jung, Sung Hee; Lee, Jong Sup

    2005-01-01

    Haeundae beach is one of the most famous resorts in Korea and plays an important role as a special tourism district. However, the length and width of the beach are being reduced continuously, which would have bad influence on the regional economy and be the financial burden to the local authority considering that a large amount of budget is spent in the beach nourishment annually. Hence, it is necessary to understand the dynamic behavior of sediments in the coast for the systematic preservation plan of coastal environment. Lately a monitoring system using radioactive isotope as tracers is considered as a novel technique in understanding the dynamic transport of sediments. The objective of this study is to investigate the possible variations in sedimentary distribution and quantify the characteristics of sediments using radiotracer

  16. Preliminary study on functional performance of compound type multistage safety injection tank

    International Nuclear Information System (INIS)

    Bae, Youngmin; Kim, Young In; Kim, Keung Koo

    2015-01-01

    Highlights: • Functional performance of compound type multistage safety injection tanks is studied. • Effects of key design parameters are scrutinized. • Distinctive flow features in compound type safety injection tanks are explored. - Abstract: A parametric study is carried out to evaluate the functional performance of a compound type multistage safety injection tank that would be considered one of the components for the passive safety injection systems in nuclear power plants. The effects of key design parameters such as the initial volume fraction and charging pressure of gas, tank elevation, vertical location of a sparger, resistance coefficient, and operating condition on the injection flow rate are scrutinized along with a discussion of the relevant flow features. The obtained results indicate that the compound type multistage safety injection tank can effectively control the injection flow rate in a passive manner, by switching the driving force for the safety injection from gas pressure to gravity during the refill and reflood phases, respectively

  17. Indole Compounds Related to Auxins and Goitrogens of Woad (Isatis tinctoria L.).

    Science.gov (United States)

    Elliott, M C; Stowe, B B

    1971-03-01

    Five conspicuous indole derivatives are present in leaves and other tissues of woad (Isatis tinctoria L.). They were identified as tryptophan, isatan B, glucobrassicin, neoglucobrassicin, and glucobrassicin-1-sulfonate. The latter three indole glucosinolates are present at levels of at least 260, 69, and 200 milligrams per kilogram fresh weight and were isolated as crystalline salts. Comparison of physical and chemical properties, particularly NMR spectral analysis, confirms that the 1-methoxyglucobrassicin structure suggested for neoglucobrassicin is correct, whereas further evidence for the even more unusual sulfonation of the ring nitrogen in glucobrassicin-1-sulfonate was obtained. Glucobrassicin-1-sulfonate has an enzymic degradation pattern identical to that of glucobrassicin. As it too releases thiocyanate, it must be added to the list of known plant goitrogens. These studies and the techniques described establish woad as exceptionally suitable higher plant material for metabolic studies of indoles related to goitrogens and auxins.

  18. Indole Compounds Related to Auxins and Goitrogens of Woad (Isatis tinctoria L.) 1

    Science.gov (United States)

    Elliott, Malcolm C.; Stowe, Bruce B.

    1971-01-01

    Five conspicuous indole derivatives are present in leaves and other tissues of woad (Isatis tinctoria L.). They were identified as tryptophan, isatan B, glucobrassicin, neoglucobrassicin, and glucobrassicin-1-sulfonate. The latter three indole glucosinolates are present at levels of at least 260, 69, and 200 milligrams per kilogram fresh weight and were isolated as crystalline salts. Comparison of physical and chemical properties, particularly NMR spectral analysis, confirms that the 1-methoxyglucobrassicin structure suggested for neoglucobrassicin is correct, whereas further evidence for the even more unusual sulfonation of the ring nitrogen in glucobrassicin-1-sulfonate was obtained. Glucobrassicin-1-sulfonate has an enzymic degradation pattern identical to that of glucobrassicin. As it too releases thiocyanate, it must be added to the list of known plant goitrogens. These studies and the techniques described establish woad as exceptionally suitable higher plant material for metabolic studies of indoles related to goitrogens and auxins. PMID:16657624

  19. Theoretical study of hydrogen-bridged beryllium compounds

    International Nuclear Information System (INIS)

    Hashimoto, Kenro; Osamura, Yoshihiro; Iwata, Suehiro

    1986-01-01

    Ab initio closed-shell SCF method, combined with the energy gradient technique, was applied to study the molecular structures and the stability of (i) beryllium dihydride and its polymers (BeH 2 ) n (n = 1 to 5), and of (ii) monosubstituted beryllium hydrides HBeX (X = BH 2 , CH 3 , NH 2 , OH, F and Cl). Basis set dependence on the geometries and the force constants of BeH 2 and (BeH 2 ) 2 was carefully examined. The minimal basis set gives us a qualitative picture for chemical bonding of beryllium, though at least the split-valence type basis set is needed to obtain quantitative results. The effect of the electron correlation on the dimerization energy of BeH 2 was studied with SDCI and MP3 methods and was not so important as on the dimerization energy of Be atom. The dimer formation of BeH 2 results from the strong orbital interaction between a σ orbital (HOMO) of one of BeH 2 and a vacant 2p π orbital (LUMO) of the other. The energy gain from (BeH 2 ) n to (BeH 2 ) n+1 was almost constant for n = 2, 3, and 4 (about 120 kJ/mol) and it is larger than that from BeH 2 to (BeH 2 ) 2 (about 80 kJ/mol). This result means that in the chemical bonding of Be atom the sp 3 hybridization is more favorable than the sp 2 hybridization, and the sp 2 is more than the sp hybridization. With STO-3G and 3 - 21G basis sets the molecular structures of a series of monosubstituted beryllium hydrides and their dimers were determined, and the vibrational frequencies were evaluated for them. Bond lengths between a Be atom and a neighboring atom become shorter as the electronegativity of the neighboring atom increases. In particular, the bonding with oxygen is found to be very strong. These hydrides tends to dimerize, and the dimerization energy is about 60 ∼ 100 kJ/mol, when the bridged atoms are hydrogen atoms, irrespective of the terminal substituents. (author)

  20. Fermiology of PuCoGa{sub 5} and of related Pu-115 compounds

    Energy Technology Data Exchange (ETDEWEB)

    Oppeneer, P.M. [Department of Physics, Box 530, Uppsala University, S-751 21 Uppsala (Sweden)], E-mail: peter.oppeneer@fysik.uu.se; Shick, A.B. [Institute of Physics, Academy of Sciences of the Czech Republic, CZ-18221 Prague (Czech Republic); Rusz, J. [Department of Electronic Structures, Faculty of Mathematics and Physics, Charles University, Ke Karlovu 5, CZ-121 16 Prague 2 (Czech Republic); Lebegue, S. [Laboratoire de Cristallographie et de Modelisation des Materiaux Mineraux et Biologiques, CNRS-Universite Henri Poincare, B.P. 239, F-54506 Vandoeuvre-les-Nancy (France); Eriksson, O. [Department of Physics, Box 530, Uppsala University, S-751 21 Uppsala (Sweden)

    2007-10-11

    We report computational investigations of the electronic structures of the superconducting Pu-compounds PuCoGa{sub 5} as well as of the non-superconducting compounds PuFeGa{sub 5} and PuNiGa{sub 5}. To capture the localization behavior of the Pu 5f electrons, we apply two computational approaches, which are both rooted in the density-functional theory: the local spin-density approximation (LSDA) and the around mean field (AMF) LSDA+U approach. The latter is applicable to moderately localized 5f electrons while the former is applicable to delocalized 5f electrons. Our LSDA calculations show that the Fermi surfaces of the three Pu-115 compounds are sensitive to the amount of band filling, i.e., the number of electrons of the 3d element. Precisely at the electron filling corresponding to PuCoGa{sub 5} the Fermi surface has a particularly two-dimensional shape. AMF-LSDA+U calculations (with a Coulomb U of about 3 eV and exchange J of 0.6 eV) lead to a non-magnetic ground state for PuCoGa{sub 5}, in which the 5f states are shifted to a higher binding energy, in better agreement with photoemission data. The Fermi surface of PuCoGa{sub 5} computed with the AMF-LSDA+U approach is nonetheless rather two-dimensional and similar to the LSDA Fermi surface. The AMF-LSDA+U approach with a Coulomb U of {approx}3 eV would thus predict an electronic structure for PuCoGa{sub 5} in accord with several experimental data.

  1. A novel isoindoline, porritoxin sulfonic acid, from Alternaria porri and the structure-phytotoxicity correlation of its related compounds.

    Science.gov (United States)

    Horiuchi, Masayuki; Ohnishi, Keiichiro; Iwase, Noriyasu; Nakajima, Yoshikazu; Tounai, Kenji; Yamashita, Masakazu; Yamada, Yasumasa

    2003-07-01

    Novel zinniol-related compound 3, named porritoxin sulfonic acid, with an isoindoline skeleton was isolated from the culture liquid of Alternaria porri. The structure was determined to be 2-(2"-sulfoethyl)-4-methoxy-5-methyl-6-(3'-methyl-2'-butenyloxy)-2,3-dihydro-1H-isoindol-1-one. The phytotoxic activities of three isoindolines (1-3) were evaluated in a seedling-growth assay against stone leek and lettuce.

  2. Tungsten migration studies by controlled injection of volatile compounds

    Energy Technology Data Exchange (ETDEWEB)

    Rubel, M., E-mail: rubel@kth.se [Royal Institute of Technology (KTH), Association EURATOM-VR, Stockholm (Sweden); Coenen, J. [IEK-4, Plasma Physics, Forschungszentrum Jülich, Association EURATOM-FZJ, Jülich (Germany); Ivanova, D. [Royal Institute of Technology (KTH), Association EURATOM-VR, Stockholm (Sweden); Möller, S. [IEK-4, Plasma Physics, Forschungszentrum Jülich, Association EURATOM-FZJ, Jülich (Germany); Petersson, P. [Royal Institute of Technology (KTH), Association EURATOM-VR, Stockholm (Sweden); Brezinsek, S.; Kreter, A.; Philipps, V.; Pospieszczyk, A.; Schweer, B. [IEK-4, Plasma Physics, Forschungszentrum Jülich, Association EURATOM-FZJ, Jülich (Germany)

    2013-07-15

    Volatile tungsten hexa-fluoride was locally injected into the TEXTOR tokamak as a marker for material migration studies. The injection was accompanied by puffing N-15 rare isotope as a nitrogen tracer in discharges with edge cooling by impurity seeding. The objective was to assess material balance by qualitative and quantitative determination of a global and local deposition pattern, material mixing effects and fluorine residence in plasma-facing components. Spectroscopy and ex situ ion beam analysis techniques were used. Tungsten was detected on all types of limiter tiles and short-term probes retrieved from the vessel. Over 80% of the injected W was identified. The largest tungsten concentration, 1 × 10{sup 18} cm{sup −2}, was in the vicinity of the gas inlet. Co-deposits contained tungsten and a mix of light isotopes: H, D, He-4, B-10, B-11, C-12, C-13, N-14, N-15, O-16 and small quantities of F-19 thus showing that both He and nitrogen are trapped following wall conditioning (He glow) and edge cooling.

  3. Evaluation of effectiveness and safety of a herbal compound in primary insomnia symptoms and sleep disturbances not related to medical or psychiatric causes

    Directory of Open Access Journals (Sweden)

    Palmieri G

    2017-05-01

    Full Text Available Giancarlo Palmieri,1,2 Paola Contaldi,1 Giuseppe Fogliame1 1ANARDI Medical and Scientific Association, Scafati, Italy; 2Department of Internal Medicine, Niguarda Cà Granda Hospital, Milan, Italy Background and purpose: Sleep disturbances and related daytime activities impairment are common diseases nowadays. General practitioners are often the first health care professional asked to alleviate sleep disturbances and primary insomnia symptoms. Beyond a wide class of hypnotic drugs, botanicals can represent an alternative treatment for those kinds of symptoms. The scope of the present study is to evaluate safety and effectiveness of a herbal compound composed of valerian, hop, and jujube (Vagonotte® on primary insomnia symptoms and sleep disturbances not related to medical or psychiatric causes.Patients and methods: One hundred and twenty subjects with sleep disturbances symptoms were randomized in two branches of 60 persons each, receiving the herbal compound or placebo at dosage of two pills per day 30 minutes before their scheduled bedtime. All subjects were screened for precise items related to sleep quality and daytime activity at the beginning, after 10 days, and after 20 days of consecutive dietary supplement (or placebo consumption. The participants remained blind to group assignment until all of them completed the trial.Results: Sleep onset, numbers of nocturnal awakenings, and overall nocturnal slept time were assessed. A statistically significant difference between the two groups emerged. The group receiving the herbal compound showed a lower time of sleep onset compared to placebo group, the same result was obtained for total slept time and night awakenings frequency (p<0.001. Daily symptom improvement in subjects receiving the herbal compound showed significant reduction in tension and irritability, difficulty in concentration, and fatigue intensity, if compared to placebo scores (p<0.001. None of the 60 subjects in the verum group

  4. [Study on two preparation methods for beta-CD inclusion compound of four traditional Chinese medicine volatile oils].

    Science.gov (United States)

    Li, Hailiang; Cui, Xiaoli; Tong, Yan; Gong, Muxin

    2012-04-01

    To compare inclusion effects and process conditions of two preparation methods-colloid mill and saturated solution-for beta-CD inclusion compound of four traditional Chinese medicine volatile oils and study the relationship between each process condition and volatile oil physical properties and the regularity of selective inclusion of volatile oil components. Volatile oils from Nardostachyos Radix et Rhizoma, Amomi Fructus, Zingiberis Rhizoma and Angelicaesinensis Radix were prepared using two methods in the orthogonal test. These inclusion compounds by optimized processes were assessed and compared by such methods as TLC, IR and scanning electron microscope. Inclusion oils were extracted by steam distillation, and the components found before and after inclusion were analyzed by GC-MS. Analysis showed that new inclusion compounds, but inclusion compounds prepared by the two processes had differences to some extent. The colloid mill method showed a better inclusion effect than the saturated solution method, indicating that their process conditions had relations with volatile oil physical properties. There were differences in the inclusion selectivity of components between each other. The colloid mill method for inclusion preparation is more suitable for industrial requirements. To prepare volatile oil inclusion compounds with heavy gravity and high refractive index, the colloid mill method needs longer time and more water, while the saturated solution method requires higher temperature and more beta-cyclodextrin. The inclusion complex prepared with the colloid mill method contains extended molecular weight chemical composition, but the kinds of components are reduced.

  5. Quantitative analysis by GC-MS/MS of 18 aroma compounds related to oxidative off-flavor in wines.

    Science.gov (United States)

    Mayr, Christine M; Capone, Dimitra L; Pardon, Kevin H; Black, Cory A; Pomeroy, Damian; Francis, I Leigh

    2015-04-08

    A quantitation method for 18 aroma compounds reported to contribute to "oxidative" flavor in wines was developed. The method allows quantitation of the (E)-2-alkenals ((E)-2-hexenal, (E)-2-heptenal, (E)-2-octenal, and (E)-2-nonenal), various Strecker aldehydes (methional, 2-phenylacetaldehyde, 3-methylbutanal, and 2-methylpropanal), aldehydes (furfural, 5-methylfurfural, hexanal, and benzaldehyde), furans (sotolon, furaneol, and homofuraneol), as well as alcohols (methionol, eugenol, and maltol) in the same analysis. The aldehydes were determined after derivatization directly in the wine with O-(2,3,4,5,6-pentafluorobenzyl)hydroxylamine hydrochloride; the formed oximes along with the underivatized aroma compounds were isolated by solid-phase extraction and analyzed by means of GC-MS/MS. The method was used to investigate the effect of different closures (synthetic closures, natural corks, and screw cap) on the formation of oxidation-related compounds in 14 year old white wine. Results showed a significant increase in the concentration of some of the monitored compounds in the wine, particularly methional, 2-phenylacetaldehyde, and 3-methylbutanal.

  6. Reaction of Tris(cyclopentadienyl)uranium compounds with amines, azides, and related ligands

    International Nuclear Information System (INIS)

    Rosen, R.K.

    1989-12-01

    The trivalent uranium compound, (MeC 5 H 4 ) 3 U(thf), serves as a one- or two-electron reducing agent towards azides, RN 3 . These reactions produce either the uranium(IV) azide, (MeC 5 H 4 ) 3 UN 3 , or uranium(V) imides, (MeC 5 H 4 ) 3 UNR. The role of steric and electronic effects upon this reaction has been investigated using several series of azides. For Me 3 XN 3 , the imides are produced when X = C or Si, both products are formed when X = Ge, and the azide is produced when X = Sn. For Ph 3 XN 3 , the azide is produced when X = C or Sn. For Ph 3-x CH 3 N 3 , the imide is produced when x = 2 and both compounds are produced when x = 1. For substituted phenylazides, RC 6 H 4 N 3 , only the imides are produced. The magnetic properties of uranium diimides, [(MeC 5 H 4 ) 3 U] 2 (μ-NRN), were investigated. Several uranium(III) amines, (MeC 5 H 4 ) 3 U(NH 2 R), were produced from (MeC 5 H 4 ) 3 U(thf) and RNH 2 , and NH 3 was found to be a better ligand towards (MeC 5 H 4 ) 3 U than is PMe 3

  7. The role of nitrogen and sulphur bearing compounds in the wettability of oil reservoir rocks: an approach with nuclear microanalysis and other related surface techniques

    International Nuclear Information System (INIS)

    Mercier, F.; Toulhoat, N.; Potocek, V.; Trocellier, P.

    1999-01-01

    Oil recovery is strongly influenced by the wettability of the reservoir rock. Some constituents of the crude oil (polar compounds and heavy fractions such as asphaltenes with heteroatoms) are believed to react with the reservoir rock and to condition the local wettability. Therefore, it is important to obtain as much knowledge as possible about the characteristics of the organic matter/mineral interactions. This study is devoted to the description at the microscopic scale of the distribution of some heavy fractions of crude oil (asphaltenes) and nitrogen molecules (pyridine and pyrrole) on model minerals of sandstone reservoir rocks such as silica and clays. Nuclear microanalysis, X-Ray Photoelectron Spectroscopy and other related microscopic imaging techniques allow to study the distribution and thickness of the organic films. The respective influences of the nature of the mineral substrate and the organic matter are studied. The important role played by the nitrogen compounds in the adsorption of organic matter is emphasized

  8. Study of compounds emitted during thermo-oxidative decomposition of polyester fabrics

    Directory of Open Access Journals (Sweden)

    Dzięcioł Małgorzata

    2016-03-01

    Full Text Available Compounds emitted during thermo-oxidative decomposition of three commercial polyester fabrics for indoor outfit and decorations (upholstery, curtains were studied. The experiments were carried out in a flow tubular furnace at 600°C in an air atmosphere. During decomposition process the complex mixtures of volatile and solid compounds were emitted. The main volatile products were carbon oxides, benzene, acetaldehyde, vinyl benzoate and acetophe-none. The emitted solid compounds consisted mainly of aromatic carboxylic acids and its derivatives, among which the greatest part took terephthalic acid, monovinyl terephthalate and benzoic acid. The small amounts of polycyclic aromatic hydrocarbons were also emitted. The emission profiles of the tested polyester fabrics were similar. The presence of toxic compounds indicates the possibility of serious hazard for people during fire.

  9. Inhibition and kinetic studies of lignin degrading enzymes of Ganoderma boninense by naturally occurring phenolic compounds.

    Science.gov (United States)

    Surendran, Arthy; Siddiqui, Yasmeen; Saud, Halimi Mohd; Ali, Nusaibah Syd; Manickam, Sivakumar

    2018-05-22

    Lignolytic (Lignin degrading) enzyme, from oil palm pathogen Ganoderma boninense Pat. (Syn G. orbiforme (Ryvarden), is involved in the detoxification and the degradation of lignin in the oil palm and is the rate-limiting step in the infection process of this fungus. Active inhibition of lignin degrading enzymes secreted by G. boninense by various naturally occurring phenolic compounds and estimation of efficiency on pathogen suppression was aimed at. In our work, ten naturally occurring phenolic compounds were evaluated for their inhibitory potential towards the lignolytic enzymes of G.boninense. Additionally, the lignin degrading enzymes were characterised. Most of the peholic compounds exhibited an uncompetitive inhibition towards the lignin degrading enzymes. Benzoic acid was the superior inhibitor to the production of lignin degrading enzymes, when compared between the ten phenolic compounds. The inhibitory potential of the phenolic compounds toward the lignin degrading enzymes are higher than that of the conventional metal ion inhibitor. The lignin degrading enzymes were stable in a wide range of pH but were sensitive to higher to temperature. The study demonstrated the inhibitor potential of ten naturally occurring phenolic compounds toward the lignin degrading enzymes of G. boninense with different efficacies. The study has shed a light towards a new management strategy to control BSR in oil palm. It serves as replacement for the existing chemical control. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

  10. Antiproliferative activity and interactions with cell-cycle related proteins of the organotin compound triethyltin(IV)lupinylsulfide hydrochloride.

    Science.gov (United States)

    Barbieri, F; Sparatore, F; Cagnoli, M; Bruzzo, C; Novelli, F; Alama, A

    2001-03-14

    Organotin compounds, particularly tri-organotin, have demonstrated cytotoxic properties against a number of tumor cell lines. On this basis, triethyltin(IV)lupinylsulfide hydrochloride (IST-FS 29), a quinolizidine derivative, was synthesized and developed as a potential antitumor agent. This tin-derived compound exhibited potent antiproliferative effects on three different human cancer cell lines: teratocarcinoma of the ovary (PA-1), colon carcinoma (HCT-8) and glioblastoma (A-172). Cytotoxic activity was assessed by MTT and cell count assays during time course experiments with cell recovery after compound withdrawal. Significant cell growth inhibition (up to 95% in HCT-8 after 72 h of exposure), which also persisted after drug-free medium change, was reported in all the cell lines by both assays. In addition, the cytocidal effects exerted by IST-FS 29 appeared more consistent with necrosis or delayed cell death, rather than apoptosis, as shown by morphologic observations under light microscope, DNA fragmentation analysis and flow cytometry. In the attempt to elucidate whether this compound might affect genes playing a role in G1/S phase transition, the expressions of p53, p21(WAF1), cyclin D1 and Rb, mainly involved in response to DNA-damaging stress, were analyzed by Western blot. Heterogeneous patterns of expression during exposure to IST-FS 29 were evidenced in the different cell lines suggesting that these cell-cycle-related genes are not likely the primary targets of this compound. Thus, the present data seem more indicative of a direct effect of IST-FS-29 on macromolecular synthesis and cellular homeostasis, as previously hypothesized for other organotin complexes.

  11. Interactions of [alpha,beta]-unsaturated carbonyl compounds with the glutathione-related biotransformation system

    NARCIS (Netherlands)

    Iersel, van M.L.P.S.

    1998-01-01

    Introduction
    Modulation of glutathione-related biotransformation steps may play a role in important phenomena as anticarcinogenicity and multidrug resistance. Glutathione-related biotransformation comprises three main aspects i.e. glutathione, the

  12. Nanomaterial-Based Sensing and Biosensing of Phenolic Compounds and Related Antioxidant Capacity in Food

    Directory of Open Access Journals (Sweden)

    Flavio Della Pelle

    2018-02-01

    Full Text Available Polyphenolic compounds (PCs have received exceptional attention at the end of the past millennium and as much at the beginning of the new one. Undoubtedly, these compounds in foodstuffs provide added value for their well-known health benefits, for their technological role and also marketing. Many efforts have been made to provide simple, effective and user friendly analytical methods for the determination and antioxidant capacity (AOC evaluation of food polyphenols. In a parallel track, over the last twenty years, nanomaterials (NMs have made their entry in the analytical chemistry domain; NMs have, in fact, opened new paths for the development of analytical methods with the common aim to improve analytical performance and sustainability, becoming new tools in quality assurance of food and beverages. The aim of this review is to provide information on the most recent developments of new NMs-based tools and strategies for total polyphenols (TP determination and AOC evaluation in food. In this review optical, electrochemical and bioelectrochemical approaches have been reviewed. The use of nanoparticles, quantum dots, carbon nanomaterials and hybrid materials for the detection of polyphenols is the main subject of the works reported. However, particular attention has been paid to the success of the application in real samples, in addition to the NMs. In particular, the discussion has been focused on methods/devices presenting, in the opinion of the authors, clear advancement in the fields, in terms of simplicity, rapidity and usability. This review aims to demonstrate how the NM-based approaches represent valid alternatives to classical methods for polyphenols analysis, and are mature to be integrated for the rapid quality assessment of food quality in lab or directly in the field.

  13. Reaction of Tris(cyclopentadienyl)uranium compounds with amines, azides, and related ligands

    Energy Technology Data Exchange (ETDEWEB)

    Rosen, R.K.

    1989-12-01

    The trivalent uranium compound, (MeC{sub 5}H{sub 4}){sub 3}U(thf), serves as a one- or two-electron reducing agent towards azides, RN{sub 3}. These reactions produce either the uranium(IV) azide, (MeC{sub 5}H{sub 4}){sub 3}UN{sub 3}, or uranium(V) imides, (MeC{sub 5}H{sub 4}){sub 3}UNR. The role of steric and electronic effects upon this reaction has been investigated using several series of azides. For Me{sub 3}XN{sub 3}, the imides are produced when X = C or Si, both products are formed when X = Ge, and the azide is produced when X = Sn. For Ph{sub 3}XN{sub 3}, the azide is produced when X = C or Sn. For Ph{sub 3-x}CH{sub 3}N{sub 3}, the imide is produced when x = 2 and both compounds are produced when x = 1. For substituted phenylazides, RC{sub 6}H{sub 4}N{sub 3}, only the imides are produced. The magnetic properties of uranium diimides, ((MeC{sub 5}H{sub 4}){sub 3}U){sub 2}({mu}-NRN), were investigated. Several uranium(III) amines, (MeC{sub 5}H{sub 4}){sub 3}U(NH{sub 2}R), were produced from (MeC{sub 5}H{sub 4}){sub 3}U(thf) and RNH{sub 2}, and NH{sub 3} was found to be a better ligand towards (MeC{sub 5}H{sub 4}){sub 3}U than is PMe{sub 3}.

  14. Nanomaterial-Based Sensing and Biosensing of Phenolic Compounds and Related Antioxidant Capacity in Food.

    Science.gov (United States)

    Della Pelle, Flavio; Compagnone, Dario

    2018-02-04

    Polyphenolic compounds (PCs) have received exceptional attention at the end of the past millennium and as much at the beginning of the new one. Undoubtedly, these compounds in foodstuffs provide added value for their well-known health benefits, for their technological role and also marketing. Many efforts have been made to provide simple, effective and user friendly analytical methods for the determination and antioxidant capacity (AOC) evaluation of food polyphenols. In a parallel track, over the last twenty years, nanomaterials (NMs) have made their entry in the analytical chemistry domain; NMs have, in fact, opened new paths for the development of analytical methods with the common aim to improve analytical performance and sustainability, becoming new tools in quality assurance of food and beverages. The aim of this review is to provide information on the most recent developments of new NMs-based tools and strategies for total polyphenols (TP) determination and AOC evaluation in food. In this review optical, electrochemical and bioelectrochemical approaches have been reviewed. The use of nanoparticles, quantum dots, carbon nanomaterials and hybrid materials for the detection of polyphenols is the main subject of the works reported. However, particular attention has been paid to the success of the application in real samples, in addition to the NMs. In particular, the discussion has been focused on methods/devices presenting, in the opinion of the authors, clear advancement in the fields, in terms of simplicity, rapidity and usability. This review aims to demonstrate how the NM-based approaches represent valid alternatives to classical methods for polyphenols analysis, and are mature to be integrated for the rapid quality assessment of food quality in lab or directly in the field.

  15. Responses of peripheral endocannabinoids and endocannabinoid-related compounds to hedonic eating in obesity.

    Science.gov (United States)

    Monteleone, A M; Di Marzo, V; Monteleone, P; Dalle Grave, R; Aveta, T; Ghoch, M El; Piscitelli, F; Volpe, U; Calugi, S; Maj, M

    2016-06-01

    Hedonic eating occurs independently from homeostatic needs prompting the ingestion of pleasurable foods that are typically rich in fat, sugar and/or salt content. In normal weight healthy subjects, we found that before hedonic eating, plasma levels of 2-arachidonoylglycerol (2-AG) were higher than before nonhedonic eating, and although they progressively decreased after food ingestion in both eating conditions, they were significantly higher in hedonic eating. Plasma levels of anandamide (AEA), oleoylethanolamide (OEA) and palmitoylethanolamide (PEA), instead, progressively decreased in both eating conditions without significant differences. In this study, we investigated the responses of AEA, 2-AG, OEA and PEA to hedonic eating in obese individuals. Peripheral levels of AEA, 2-AG, OEA and PEA were measured in 14 obese patients after eating favourite (hedonic eating) and non-favourite (nonhedonic eating) foods in conditions of no homeostatic needs. Plasma levels of 2-AG increased after eating the favourite food, whereas they decreased after eating the non-favourite food, with the production of the endocannabinoid being significantly enhanced in hedonic eating. Plasma levels of AEA decreased progressively in nonhedonic eating, whereas they showed a decrease after the exposure to the favourite food followed by a return to baseline values after eating it. No significant differences emerged in plasma OEA and PEA responses to favourite and non-favourite food. Present findings compared with those obtained in our previously studied normal weight healthy subjects suggest deranged responses of endocannabinoids to food-related reward in obesity.

  16. Lattice parameters and stability of the spinel compounds in relation to the ionic radii and electronegativities of constituting chemical elements.

    Science.gov (United States)

    Brik, Mikhail G; Suchocki, Andrzej; Kamińska, Agata

    2014-05-19

    A thorough consideration of the relation between the lattice parameters of 185 binary and ternary spinel compounds, on one side, and ionic radii and electronegativities of the constituting ions, on the other side, allowed for establishing a simple empirical model and finding its linear equation, which links together the above-mentioned quantities. The derived equation gives good agreement between the experimental and modeled values of the lattice parameters in the considered group of spinels, with an average relative error of about 1% only. The proposed model was improved further by separate consideration of several groups of spinels, depending on the nature of the anion (oxygen, sulfur, selenium/tellurium, nitrogen). The developed approach can be efficiently used for prediction of lattice constants for new isostructural materials. In particular, the lattice constants of new hypothetic spinels ZnRE2O4, CdRE2S4, CdRE2Se4 (RE = rare earth elements) are predicted in the present Article. In addition, the upper and lower limits for the variation of the ionic radii, electronegativities, and their certain combinations were established, which can be considered as stability criteria for the spinel compounds. The findings of the present Article offer a systematic overview of the structural properties of spinels and can serve as helpful guides for synthesis of new spinel compounds.

  17. Validation of an experimental setup to study atmospheric heterogeneous ozonolysis of semi-volatile organic compounds

    Directory of Open Access Journals (Sweden)

    M. Pflieger

    2009-03-01

    Full Text Available There is currently a need for reliable experimental procedures to follow the heterogeneous processing simulating the atmospheric conditions. This work offers an alternative experimental device to study the behaviour of semi-volatile organic compounds (SVOC that presumably exhibit extremely slow reactivity (e.g. pesticides towards the atmospheric oxidants such as ozone and OH. Naphthalene was chosen as a test compound since it was widely studied in the past and hence represents a good reference. Prior to ozone exposure, the gaseous naphthalene was adsorbed via gas-solid equilibrium on silica and XAD-4 particles. Then, the heterogeneous reaction of ozone with adsorbed naphthalene was investigated in specially designed flow tube reactors. After the reaction, the remaining naphthalene (adsorbed on particles surface was extracted, filtered and analyzed by Gas Chromatography-Flame Ionization Detector (GC-FID. Thus, the kinetics results were obtained following the consumption of naphthalene. Using this procedure, the rate constants of heterogeneous ozonolysis of naphthalene (kO3 silica=2.26 (±0.09×10−17 cm3 molec−1 s−1 and kO3 XAD-4=4.29 (±1.06×10−19 cm3 molec−1 s−1 were determined for silica and XAD-4 particles, at 25°C and relative humidity <0.7%. The results show that the nature of the particles significantly affects the kinetics and that heterogeneous ozonolysis of naphthalene is faster than its homogeneous ozonolysis in the gas phase.

  18. Noble metal catalyzed aqueous phase hydrogenation and hydrodeoxygenation of lignin-derived pyrolysis oil and related model compounds.

    Science.gov (United States)

    Mu, Wei; Ben, Haoxi; Du, Xiaotang; Zhang, Xiaodan; Hu, Fan; Liu, Wei; Ragauskas, Arthur J; Deng, Yulin

    2014-12-01

    Aqueous phase hydrodeoxygenation of lignin pyrolysis oil and related model compounds were investigated using four noble metals supported on activated carbon. The hydrodeoxygenation of guaiacol has three major reaction pathways and the demethylation reaction, mainly catalyzed by Pd, Pt and Rh, produces catechol as the products. The presence of catechol and guaiacol in the reaction is responsible for the coke formation and the catalysts deactivation. As expected, there was a significant decrease in the specific surface area of Pd, Pt and Rh catalysts during the catalytic reaction because of the coke deposition. In contrast, no catechol was produced from guaiacol when Ru was used so a completely hydrogenation was accomplished. The lignin pyrolysis oil upgrading with Pt and Ru catalysts further validated the reaction mechanism deduced from model compounds. Fully hydrogenated bio-oil was produced with Ru catalyst. Copyright © 2014 Elsevier Ltd. All rights reserved.

  19. Bio-active Compounds of Bitter Melon Genotypes (Momordica charantia L. in Relation to Their Physiological Functions

    Directory of Open Access Journals (Sweden)

    Navam S. Hettiarachchy

    2011-02-01

    protein, most of the essential amino acid contents of Bitter Melon were similar as in soy proteins. Some amino acids such as Alanine, Glycine, and Valanine were relatively higher in Bitter Melon flesh than in soy protein. Phenolics contents of the flesh, seed, and seed coat tissue [SCT] were significantly different [p<0.05] among the four varieties. The four varieties were similar in their antioxidant activities of the flesh tissues; however, they were significantly different in their antioxidant activities in the seed and seed coat tissues [SCT]. Bitter melon varieties IW and CG, tested for antimutagenic effects, both flesh and seed had considerably high activities against benzo[a]pyrene with Salmonella TA98 [92-100% inhibition] and Salmonella TA100 [79-86% inhibition].Conclusion: Based on these studies, Bitter Melon is a good source of phenolic compounds. All four varieties tested showed considerably high antioxidant and antimutagenic activities. Therefore, these natural plant phenolics can be a good source of biologically active compounds that may be applied in many food systems to enhance food values and special nutritional qualities. Further studies will be needed using more genetically diverse varieties to pin point the bioactive and functional compounds and their physiological properties.

  20. Synergistic and alkaline stability studies of mixtures of simulated high level waste sludge with selected energetic compounds

    International Nuclear Information System (INIS)

    Fondeur, F.F.

    2000-01-01

    This study examined the stability of mercury oxalate and mercury fulminate in alkaline sludge simulating Savannah River Site waste. These compounds represent two classes of energetic compounds previously speculated as potential components in sludge stored without a supernatant liquid

  1. Thermogravimetric-mass spectrometric study on the evolution of nitrogen compounds during coal devolatilisation

    Energy Technology Data Exchange (ETDEWEB)

    Arenillas, A.; Rubiera, F.; Pevida, C.; Pis, J.J. [Department of Energy and Environment, Instituto Nacional del Carbon, CSIC, Apartado 73, 33080 Oviedo (Spain)

    2002-10-01

    Emissions of nitrogen oxides during coal combustion are a major environmental problem. The chemically bound nitrogen in fuel accounts for up to 80% of total NO{sub x} emissions. In this respect, fundamental studies are needed to clarify the mechanisms and to identify the different species that are precursors in the formation of the NO{sub x}. Mass spectrometry (MS) has been used for decades as a successful technique in evolved gas analysis. However, MS is normally used to identify typical volatile compounds formed during coal pyrolysis (i.e. H{sub 2}, CH{sub 4}, CO, CO{sub 2} and H{sub 2}O) but very few works on the detection by MS of nitrogen compounds during coal devolatilisation can be found. In this work, the possibility of detecting different nitrogen compounds by means of thermogravimetric-MS during the temperature-programmed pyrolysis of coal was evaluated. Interferences in the N-compounds MS signals were determined. The use of model compounds provided additional information on the MS response factors of the volatile compounds produced.

  2. A study of the evolution of nitrogen compounds during coal devolatilisation

    Energy Technology Data Exchange (ETDEWEB)

    Arenillas, A.; Rubiera, F.; Moreno, A.H.; Pevida, C.; Pis, J.J. [CSIC, Instituto Nacional del Carbon, Oviedo (Spain). Dept. of Energy and Environment

    2001-07-01

    Emissions of nitrogen oxides during combustion are a major environmental problem. The chemically bound nitrogen in fuel accounts for up to 80% of total NOx emissions. In this respect, fundamental studies are needed to clarify the mechanisms and to identify the different species that are precursors in the formation of the NOx. In this work, two methodologies were employed. Simultaneous thermogravimetric-mass spectrometric (TG-MS) analysis was used to study the pyrolysis behaviour of three coals of varying rank. The release of different nitrogen compounds was followed by means of temperature-programmed pyrolysis experiments. The influence of coal rank on the evolution of volatile compounds was also considered. In addition, a series of coal chars with different burn-off degrees were obtained in a bench scale fluidised bed reactor, using the same parent coal. The evolution of gaseous compounds arising from the thermal treatment of the partially burned chars was studied in the TG-MS system. It was found that the different chemical structure of the chars exerted some influence on the evolution of the gaseous compounds during the devolatilisation process. Finally, the evolution of the volatile compounds was also studied in the bench scale fluidised bed reactor. Special attention was given to the formation of N{sub 2}O during the pyrolysis of the coals used. 27 refs., 8 figs., 3 tabs.

  3. Studying Intergroup Relations in Organizations.

    Science.gov (United States)

    1980-01-10

    Psychology. 1971, 55, 302-311. Alderfer, Clayton P.: Boundary Relations and Organizational Diagnosis . In H. Meltzer and F.W. Wickert (editors...Clayton P.: The Methodology of Organizational Diagnosis , Professional Psychology, 1979, in press. Alderfer, Clayton P.: Consulting to Underbounded

  4. Thermodynamic Study of Tl6SBr4 Compound and Some Regularities in Thermodynamic Properties of Thallium Chalcohalides

    Directory of Open Access Journals (Sweden)

    Dunya Mahammad Babanly

    2017-01-01

    Full Text Available The solid-phase diagram of the Tl-TlBr-S system was clarified and the fundamental thermodynamic properties of Tl6SBr4 compound were studied on the basis of electromotive force (EMF measurements of concentration cells relative to a thallium electrode. The EMF results were used to calculate the relative partial thermodynamic functions of thallium in alloys and the standard integral thermodynamic functions (-ΔfG0, -ΔfH0, and S0298 of Tl6SBr4 compound. All data regarding thermodynamic properties of thallium chalcogen-halides are generalized and comparatively analyzed. Consequently, certain regularities between thermodynamic functions of thallium chalcogen-halides and their binary constituents as well as degree of ionization (DI of chemical bonding were revealed.

  5. Interspecific variations in mangrove leaf litter decomposition are related to labile nitrogenous compounds

    Science.gov (United States)

    Nordhaus, Inga; Salewski, Tabea; Jennerjahn, Tim C.

    2017-06-01

    Mangrove leaves form a large pool of carbon, nitrogen and energy that is a major driver of element cycles and detrital food webs inside mangrove forests as well as in adjacent coastal waters. However, there are large gaps in knowledge on the transformation pathways and ultimate fate of leaf nitrogen. Therefore, the main objective of this study was to determine the amount and composition of nitrogenous organic matter and possible species-specific differences during the decomposition of mangrove leaf litter. For that purpose a three month decomposition experiment with litterbags was conducted using leaves of Aegiceras corniculatum, Avicennia alba, Ceriops decandra, Rhizophora apiculata, and Sonneratia caseolaris in the mangrove forest of the Segara Anakan Lagoon, Java, Indonesia. Detrital leaves were analyzed for bulk carbon and total nitrogen (N), stable carbon and nitrogen isotope composition (δ13C, δ15N), total hydrolyzable amino acids (THAA) and total hydrolyzable hexosamines (THHA). Decomposition rates (k d-1) were highest and tM50 values (when 50% of the original mass had been degraded) lowest in S. caseolaris (k = 0.0382 d-1; tM50 = 18 days), followed by A. alba, C. decandra, A. corniculatum, and R. apiculata (k = 0.0098 d-1; tM50 = 71 days). The biochemical composition of detrital leaves differed significantly among species and over time. S. caseolaris and A. alba had higher concentrations of N, THAA and THHA and a lower C/N ratio than the other three species. For most of the species concentrations of N, THAA and THHA increased during decomposition. The hexosamine galactosamine, indicative of bacterial cell walls, was first found in leaves after 5-7 days of decomposition and increased afterwards. Our findings suggest an increasing, but species-specific varying, portion of labile nitrogenous OM and total N in decomposing leaves over time that is partly related to the activity of leaf-colonizing bacteria. Despite a higher relative nitrogen content in the

  6. Polarized-x-ray-absorption studies of graphite intercalated-bromine compounds

    International Nuclear Information System (INIS)

    Feldman, J.L.; Elam, W.T.; Ehrlich, A.C.; Skelton, E.F.; Dominguez, D.D.; Chung, D.D.L.; Lytle, F.W.

    1986-01-01

    Details of both results and data analysis are given in the case of our polarized-x-ray-absorption experiments, using synchrotron radiation, on highly oriented pyrolytic graphite (HOPG)--based and graphite-fiber-based residual-bromine intercalation compounds. The effective angle which nearest-neighbor Br pairs make with crystallite graphite planes in some of these compounds, which was stated to be approx.20 0 in an earlier article, is shown to be 16X(de +- 4X(de: both Br-Br extended x-ray-absorption fine structure (EXAFS) and white-line features of the data are the basis of this result. We have also found that, whereas spherical averages of the areas under white-line spectra are independent of the choice of the material among all samples studied (including Br 2 vapor), differences in similarly spherically averaged Br-Br EXAFS amplitudes are evident, especially between Br 2 vapor and Br-graphite samples. We show that the latter differences which correspond to a coordination number less than one in Br-graphite are not due to either Gaussian or non-Gaussian (up to k 4 terms) Debye-Waller effects. In addition, we discuss the extraction of Br-C EXAFS and present results of model calculations of Br-C EXAFS, where several different structural models for the Br sites are considered. We also discuss thermal effects and their relation to known Br sublattice phase-transition behavior, based on our measurements at room temperature, 360 K, and 400 K

  7. Quantification of Hydroxylated Polybrominated Diphenyl Ethers (OH-BDEs), Triclosan, and Related Compounds in Freshwater and Coastal Systems.

    Science.gov (United States)

    Kerrigan, Jill F; Engstrom, Daniel R; Yee, Donald; Sueper, Charles; Erickson, Paul R; Grandbois, Matthew; McNeill, Kristopher; Arnold, William A

    2015-01-01

    Hydroxylated polybrominated diphenyl ethers (OH-BDEs) are a new class of contaminants of emerging concern, but the relative roles of natural and anthropogenic sources remain uncertain. Polybrominated diphenyl ethers (PBDEs) are used as brominated flame retardants, and they are a potential source of OH-BDEs via oxidative transformations. OH-BDEs are also natural products in marine systems. In this study, OH-BDEs were measured in water and sediment of freshwater and coastal systems along with the anthropogenic wastewater-marker compound triclosan and its photoproduct dioxin, 2,8-dichlorodibenzo-p-dioxin. The 6-OH-BDE 47 congener and its brominated dioxin (1,3,7-tribromodibenzo-p-dioxin) photoproduct were the only OH-BDE and brominated dioxin detected in surface sediments from San Francisco Bay, the anthropogenically impacted coastal site, where levels increased along a north-south gradient. Triclosan, 6-OH-BDE 47, 6-OH-BDE 90, 6-OH-BDE 99, and (only once) 6'-OH-BDE 100 were detected in two sediment cores from San Francisco Bay. The occurrence of 6-OH-BDE 47 and 1,3,7-tribromodibenzo-p-dioxin sediments in Point Reyes National Seashore, a marine system with limited anthropogenic impact, was generally lower than in San Francisco Bay surface sediments. OH-BDEs were not detected in freshwater lakes. The spatial and temporal trends of triclosan, 2,8-dichlorodibenzo-p-dioxin, OH-BDEs, and brominated dioxins observed in this study suggest that the dominant source of OH-BDEs in these systems is likely natural production, but their occurrence may be enhanced in San Francisco Bay by anthropogenic activities.

  8. Quantification of Hydroxylated Polybrominated Diphenyl Ethers (OH-BDEs, Triclosan, and Related Compounds in Freshwater and Coastal Systems.

    Directory of Open Access Journals (Sweden)

    Jill F Kerrigan

    Full Text Available Hydroxylated polybrominated diphenyl ethers (OH-BDEs are a new class of contaminants of emerging concern, but the relative roles of natural and anthropogenic sources remain uncertain. Polybrominated diphenyl ethers (PBDEs are used as brominated flame retardants, and they are a potential source of OH-BDEs via oxidative transformations. OH-BDEs are also natural products in marine systems. In this study, OH-BDEs were measured in water and sediment of freshwater and coastal systems along with the anthropogenic wastewater-marker compound triclosan and its photoproduct dioxin, 2,8-dichlorodibenzo-p-dioxin. The 6-OH-BDE 47 congener and its brominated dioxin (1,3,7-tribromodibenzo-p-dioxin photoproduct were the only OH-BDE and brominated dioxin detected in surface sediments from San Francisco Bay, the anthropogenically impacted coastal site, where levels increased along a north-south gradient. Triclosan, 6-OH-BDE 47, 6-OH-BDE 90, 6-OH-BDE 99, and (only once 6'-OH-BDE 100 were detected in two sediment cores from San Francisco Bay. The occurrence of 6-OH-BDE 47 and 1,3,7-tribromodibenzo-p-dioxin sediments in Point Reyes National Seashore, a marine system with limited anthropogenic impact, was generally lower than in San Francisco Bay surface sediments. OH-BDEs were not detected in freshwater lakes. The spatial and temporal trends of triclosan, 2,8-dichlorodibenzo-p-dioxin, OH-BDEs, and brominated dioxins observed in this study suggest that the dominant source of OH-BDEs in these systems is likely natural production, but their occurrence may be enhanced in San Francisco Bay by anthropogenic activities.

  9. A Structure-Activity Relationship (SAR Study of Neolignan Compounds with Anti-schistosomiasis Activity

    Directory of Open Access Journals (Sweden)

    Alves Claúdio N.

    2002-01-01

    Full Text Available A set of eighteen neolignan derivative compounds with anti-schistosomiasis activity was studied by using the quantum mechanical semi-empirical method PM3 and other theoretical methods in order to calculate selected molecular properties (variables or descriptors to be correlated to their biological activities. Exploratory data analysis (principal component analysis, PCA, and hierarchical cluster analysis, HCA, discriminant analysis (DA and the Kth nearest neighbor (KNN method were employed for obtaining possible relationships between the calculated descriptors and the biological activities studied and predicting the anti-schistosomiasis activity of new compounds from a test set. The molecular descriptors responsible for the separation between active and inactive compounds were: hydration energy (HE, molecular refractivity (MR and charge on the C19 carbon atom (Q19. These descriptors give information on the kind of interaction that can occur between the compounds and their respective biological receptor. The prediction study was done with a new set of ten derivative compounds by using the PCA, HCA, DA and KNN methods and only five of them were predicted as active against schistosomiasis.

  10. Reactions of the melatonin metabolite N(1)-acetyl-5-methoxykynuramine with carbamoyl phosphate and related compounds.

    Science.gov (United States)

    Kuesel, Jana T; Hardeland, Rüdiger; Pfoertner, Henrike; Aeckerle, Nelia

    2010-01-01

    N-[2-(6-methoxyquinazolin-4-yl)-ethyl] acetamide (MQA) is a compound formed from the melatonin metabolite N(1)-acetyl-5-methoxykynuramine (AMK). We followed MQA production in reaction systems containing various putative reaction partners, in the absence and presence of hydrogen peroxide and/or copper(II). Although MQA may be formally described as a condensation product of either N(1)-acetyl-N(2)-formyl-5-methoxykynuramine (AFMK) with ammonia, or AMK with formamide, none of these combinations led to substantial quantities of MQA. However, MQA formation was observed in mixtures containing AMK, hydrogen peroxide, hydrogen carbonate and ammonia, or AMK, hydrogen peroxide, copper(II) and potentially carbamoylating agents, such as potassium cyanate or, more efficiently, carbamoyl phosphate. In the presence of hydrogen peroxide, copper(II) and carbamoyl phosphate, MQA was the major product obtained from AMK, but the omission of copper(II) mainly led to another metabolite, 3-acetamidomethyl-6-methoxycinnolinone (AMMC). This was caused by nitric oxide (NO) generated under oxidative conditions from carbamoyl phosphate, as shown by an NO spin trap. MQA formation with carbamoyl phosphate was not due to the possible decomposition product, formamide. The reaction of AMK with carbamoyl phosphate under oxidative conditions, in which inorganic phosphate and water are released and which differs from the typical process of carbamoylation via isocyanate, may be considered as a new physiological route of MQA formation.

  11. Safety analysis and related studies

    International Nuclear Information System (INIS)

    Lelievre, J.

    1979-12-01

    Several examples of reactor safety studies are given. For light water reactors, the consequences of loss of coolant, the disposition of the fuel elements and the behaviour under irradiation of the steels used for containment are described. For fast reactors, the disposition of fuel elements in the case of cooling accidents and sodium fies are described. Examples given of studies not specific to a particular reactor type include studies of non-destructive testing and those of reliability

  12. Evaluation of photoionization detector performance in photocatalytic studies for removing volatile organic compounds

    Directory of Open Access Journals (Sweden)

    Masoud Rismanchian

    2012-01-01

    Full Text Available Aims: The aim of this study was to evaluate the performance of photoionization detector (PID system as a substitution for gas chromatography in the measurement of a 3 xylene isomer mixtures as a representative of the volatile organic compounds in photocatalytic studies. Materials and Methods: This study has been carried out by using test setup for generating known concentrations from equal ratio of 3 xylene isomers. The concentration values to be evaluated were classified into 4 concentration ranges from 0.1 of threshold limit values (TLV to 2 of TLV to evaluate the PID system appliance compared with that in the reference method. The test was done 4 times for each evaluation concentration in 3 relative humidity levels (0%, 20%, and 80%. Results: The correlation between the PID results and the National Institue of Occupational Safety and Health (NIOSH reference method results in an atmosphere with relative humidity of 0%, 20%, and 80% were good and, respectively, were 0.993, 0.992, and 0.991 and total correlation was 0.989. The paired t test indicates a significant difference between actual concentrations in reference method and the extracted concentration from PID. Conclusions: Although the results presented by PID in the present study are different from those extracted from the reference method (from 10 to 260 ppm, the equipment response is linear. So, the results are acceptable in photocatalytic studies in case the contaminant concentration is measured by the same equipment either before or after the reactor for calculation of the removal efficiency. PID calibration with the test material(s is recommended.

  13. Study on Evaporation Characteristics of Bio-oil and its Compound Models

    Directory of Open Access Journals (Sweden)

    Tan Long

    2014-05-01

    Full Text Available In this study, bio-oil was analyzed by gas chromatography mass spectrometry (GC-MS, and the evaporation characteristics of bio-oil were studied at different heating rates (10, 20, and 30 °C/min from 35 °C to 250 °C by a thermal analyzer (TG-DSC. The TG-DSC results of bio-oil showed that the heat requirement of bio-oil during the evaporation process ranged from 2.072103 to 2.299103 J/g, and the bio-oil activation energy ranged from 1.22×104 to 3.34×104 J/mol. Moreover, four models with five compounds (methanol, water, ethanol, furfural, and phenol were established to study the bio-oil evaporation process. By comparing the TG-DSC results of bio-oil and its models at 30 °C/min, it was shown that the optimal model was model 2, which has the following chemical composition: methanol (27.10 wt.%, water (44.96 wt.%, ethanol (16.24 wt.%, furfural (4.40 wt.%, and phenol (7.30 wt.%. Model 2 exhibited a minimal relative error in dynamic parameters and characteristic curve parameters. The errors for activation energy of the TG, activation energy of the DSC, maximum endothermic rates, and the total of the heat absorption were 3.04%, 5.88%, 2.49%, and 1.06%, respectively.

  14. Comparative fate of an organochlorine, chlordecone, and a related compound, chlordecone-5b-hydro, in soils and plants.

    Science.gov (United States)

    Clostre, Florence; Cattan, Philippe; Gaude, Jean-Marie; Carles, Céline; Letourmy, Philippe; Lesueur-Jannoyer, Magalie

    2015-11-01

    We address the problem of the comparative environmental fate of a pesticide, chlordecone (CLD), and a related compound, chlordecone-5b-hydro (CLD-5b-hydro). We used a large database including data from two types of contaminated volcanic soils, andosol and nitisol, and thirteen crops grown in the French West Indies in historically polluted soils. We performed in-depth statistical analysis of the effect of different parameters (soil type, crop, organ, etc.) on the ratio of CLD-5b-hydro to CLD in both soils and plants. The environmental fate of the two compounds differed depending on the type of soil. Proportionally, more CLD-5b-hydro than CLD was measured in nitisols than in andosols. Compared to CLD, we also found a preferential transfer of CLD-5b-hydro from the soil to the plant. Finally, mobilization of the two compounds differed according to the species of crop but also within the plant, with increasing ratios from the roots to the top of the plant. The properties of the compound played a key role in the underlying processes. Because CLD-5b-hydro is more soluble in water and has a lower K(ow) than CLD, CLD-5b-hydro (1) was more easily absorbed from soils by plants, (2) was less adsorbed onto plant tissues and (3) was transported in greater quantities through the transpiration stream. Due to the amounts of CLD-5b-hydro we measured in some plant parts such as cucurbit fruits, an assessment of the toxicity of this CLD monodechlorinated product is recommended. Copyright © 2015 Elsevier B.V. All rights reserved.

  15. Serum Compounds of Energy Metabolism Impairment Are Related to Disability, Disease Course and Neuroimaging in Multiple Sclerosis.

    Science.gov (United States)

    Lazzarino, Giacomo; Amorini, Angela M; Petzold, Axel; Gasperini, Claudio; Ruggieri, Serena; Quartuccio, Maria Esmeralda; Lazzarino, Giuseppe; Di Stasio, Enrico; Tavazzi, Barbara

    2017-11-01

    Multiple sclerosis (MS) is characterized by primary inflammation, demyelination, and progressive neurodegeneration. A biochemical MS feature is neuronal mitochondrial dysfunction, compensated by anaerobic metabolism increase, likely aggravating progression of neurodegeneration. Here, we characterized a pragmatic serum profile of compounds related to mitochondrial energy metabolism of potential clinical use. Blood samples of 518 well characterized (disability, disease course) MS patients and 167 healthy controls were analyzed for serum purines, pyrimidines, creatinine, and lactate. Nine of the 15 compounds assayed, hypoxanthine, xanthine, uric acid, inosine, uracil, β-pseudouridine, uridine, creatinine, and lactate, differed significantly between MS patients and controls (p < 0.0001). Using these nine compounds, a unifying Biomarker Score was calculated. Controls and MS patients had mean Biomarker Scores of 0.4 ± 0.7 and 4.4 ± 1.9, respectively (p < 0.00001). The Biomarker Score was higher in patients with progressive (6.0 ± 1.8 than with relapsing remitting disease course (3.6 ± 1.5, p < 0.00001). High association between the Biomarker Score and increase in disability (EDSS) was also observed. Additionally, in 50 patients who underwent magnetic resonance imaging (MRI), increase in the Biomarker Score correlated to neuroanatomical alterations. These results, obtained in a large cohort of MS patients evaluated for serum metabolic compounds connected to energy metabolism, demonstrated that the Biomarker Score might represent a pragmatic, resource saving, easy to obtain, laboratory tool useful to monitor MS patients and predict at an early stage who will switch from an RR to a progressive disease course. For the first time, it was also clearly shown a link between mitochondrial dysfunction and MRI lesions characteristic of MS.

  16. S-aryl-L-cysteine sulphoxides and related organosulphur compounds alter oral biofilm development and AI-2-based cell-cell communication.

    Science.gov (United States)

    Kasper, S H; Samarian, D; Jadhav, A P; Rickard, A H; Musah, R A; Cady, N C

    2014-11-01

    To design and synthesize a library of structurally related, small molecules related to homologues of compounds produced by the plant Petiveria alliacea and determine their ability to interfere with AI-2 cell-cell communication and biofilm formation by oral bacteria. Many human diseases are associated with persistent bacterial biofilms. Oral biofilms (dental plaque) are problematic as they are often associated with tooth decay, periodontal disease and systemic disorders such as heart disease and diabetes. Using a microplate-based approach, a bio-inspired small molecule library was screened for anti-biofilm activity against the oral species Streptococcus mutans UA159, Streptococcus sanguis 10556 and Actinomyces oris MG1. To complement the static screen, a flow-based BioFlux microfluidic system screen was also performed under conditions representative of the human oral cavity. Several compounds were found to display biofilm inhibitory activity in all three of the oral bacteria tested. These compounds were also shown to inhibit bioluminescence by Vibrio harveyi and were thus inferred to be quorum sensing (QS) inhibitors. Due to the structural similarity of these compounds to each other, and to key molecules in AI-2 biosynthetic pathways, we propose that these molecules potentially reduce biofilm formation via antagonism of QS or QS-related pathways. This study highlights the potential for a non-antimicrobial-based strategy, focused on AI-2 cell-cell signalling, to control the development of dental plaque. Considering that many bacterial species use AI-2 cell-cell signalling, as well as the increased concern of the use of antimicrobials in healthcare products, such an anti-biofilm approach could also be used to control biofilms in environments beyond the human oral cavity. © 2014 The Society for Applied Microbiology.

  17. An in vitro comparative study of the antioxidant activity and SIRT1 modulation of natural compounds.

    Science.gov (United States)

    Fusi, Jonathan; Bianchi, Sara; Daniele, Simona; Pellegrini, Silvia; Martini, Claudia; Galetta, Fabio; Giovannini, Luca; Franzoni, Ferdinando

    2018-05-01

    Oxidative stress arises from an imbalance between the production of free radicals and antioxidant defences. Several studies have suggested that dietary antioxidants (such as polyphenols and berberine) may counteract oxidative stress through the involvement of the Sirtuin 1/Adenosine Monophosphate-Activated Protein Kinase (SIRT1/AMPK) pathway. The aim of this study was to evaluate the direct and specific antioxidant activity of some natural compounds, as well as their ability to modulate the expression of SIRT1 and the activation of AMPK. Quercetin, tyrosol, ferulic acid, catechin, berberine and curcumin were evaluated for their specific and direct antioxidant activity with TOSC assay. Their ability to modulate SIRT1 and AMPK was assessed by immunoblotting assay, while their cytotoxicity by CellTiter-Blue Cell Viability Assay. No statistically significant decrease (p > 0.05) in the number of viable cells was found upon challenging with the natural compounds. Quercetin exhibited the highest antioxidant activity against peroxyl radical and peroxinitrate derivates, while curcumin showed the best anti-hydroxyl activity with respect to the other compounds and, most importantly, respect to the reference antioxidants. Finally, all the tested compounds significantly increased the SIRT1 expression and the activation of AMPK. Our results clearly disclose the specific antioxidant activity of these natural compounds and their ability to increase SIRT1 expression and AMPK activation. Copyright © 2018 Elsevier Masson SAS. All rights reserved.

  18. Cationic and Anionic Disorder in CZTSSe Kesterite Compounds: A Chemical Crystallography Study.

    Science.gov (United States)

    Bais, Pierre; Caldes, Maria Teresa; Paris, Michaël; Guillot-Deudon, Catherine; Fertey, Pierre; Domengès, Bernadette; Lafond, Alain

    2017-10-02

    The cationic and anionic disorder in the Cu 2 ZnSnSe 4 -Cu 2 ZnSnS 4 (CZTSe-CZTS) system has been investigated through a chemical crystallography approach including X-ray diffraction (in conventional and resonant setup), 119 Sn and 77 Se NMR spectroscopy, and high-resolution transmission electron microscopy (HRTEM) techniques. Single-crystal XRD analysis demonstrates that the studied compounds behave as a solid solution with the kesterite crystal structure in the whole S/(S + Se) composition range. As previously reported for pure sulfide and pure selenide compounds, the 119 Sn NMR spectroscopy study gives clear evidence that the level of Cu/Zn disorder in mixed S/Se compounds depends on the thermal history of the samples (slow cooled or quenched). This conclusion is also supported by the investigation of the 77 Se NMR spectra. The resonant single-crystal XRD technique shows that regardless of the duration of annealing step below the order-disorder critical temperature the ordering is not a long-range phenomenon. Finally, for the very first time, HREM images of pure selenide and mixed S/Se crystals clearly show that these compounds have different microstructures. Indeed, only the mixed S/Se compound exhibits a mosaic-type contrast which could be the sign of short-range anionic order. Calculated images corroborate that HRTEM contrast is highly dependent on the nature of the anion as well as on the local anionic order.

  19. Gut-related studies of radionuclide toxicity

    International Nuclear Information System (INIS)

    Sullivan, M.F.

    1983-01-01

    This project is concerned with the behavior of radioactive materials that mayu be ingested as a consequence of a reactor accident, unavoidable occupational exposure, or after release to the environment and incorporation into the food chain. Current emphasis is on evaluating hazards from ingested actinides as a function of animal age, species, nutrition, and diet, or chemicophysical state of the actinide. We are also concerned with the behavior of actinides that are inhaled and pass through the gastrointestinal (GI) tract after clearance from the lungs. Recent experiments showed that adult swine absorbed more 238 Pu nitrate than had previously been indicated in studies with 239 Pu nitrate, three times more than is absorbed by rats. Absorption of 238 Pu by rats on a vitamin-D-deficient diet was about 10 times higher than absorption by rats on a balanced diet. Studies on the effect of chemical form on actinide absorption showed that the citrate forms of 238 Pu, 241 Am and 244 Cm were transported in higher quantities than the nitrate forms across the intestine. Citrate had no effect on the 237 Np transport, but the mass of isotope administered was found to be important. Absorption by neonates was inversely related to the mass of neptunium gavaged, in contrast to the effect of mass on neptunium absorption by adult rats. Organic binding of 238 Pu in liver tissue, in situ, resulted in decreased absorption by adult or neonatal rats. These results demonstrate that animal age, species and nutritional state are important factors in determining GI absorption of actinide compounds. Chemical form and oxidation state also influence transport. These effects vary with animal age and with the actinide in question

  20. Steroidal hormones and other endocrine active compounds in shallow groundwater in nonagricultural areas of Minnesota—Study design, methods, and data, 2009–10

    Science.gov (United States)

    Erickson, Melinda L.

    2012-01-01

    The U.S. Geological Survey, in cooperation with the Minnesota Pollution Control Agency, completed a study on the occurrence of steroidal hormones and other endocrine active compounds in shallow groundwater in nonagricultural areas of Minnesota during 2009–10. This report describes the study design and methods, and presents the data collected on steroidal hormones and other related compounds. Environmental and quality-control samples were collected from 40 wells as part of this study. Samples were analyzed by the U.S. Geological Survey National Water Quality Laboratory for 16 steroidal hormones and 4 other related compounds, of which all but 2 compounds are endocrine active compounds. Most of the water samples did not contain detectable concentrations of any of the 20 compounds analyzed. Water samples from three wells had detectable concentrations of one or more compounds. Bisphenol A was detected in samples from three wells, and trans-diethylstilbestrol was detected in one of the samples in which bisphenol A also was detected.

  1. General anesthetic octanol and related compounds activate wild-type and delF508 cystic fibrosis chloride channels

    OpenAIRE

    Marcet, Brice; Becq, Frédéric; Norez, Caroline; Delmas, Patrick; Verrier, Bernard

    2004-01-01

    Cystic fibrosis transmembrane conductance regulator (CFTR) Cl− channel is defective during cystic fibrosis (CF). Activators of the CFTR Cl− channel may be useful for therapy of CF. Here, we demonstrate that a range of general anesthetics like normal-alkanols (n-alkanols) and related compounds can stimulate the Cl− channel activity of wild-type CFTR and delF508-CFTR mutant.The effects of n-alkanols like octanol on CFTR activity were measured by iodide (125I) efflux and patch-clamp techniques o...

  2. A Vegetal Biopolymer-Based Biostimulant Promoted Root Growth in Melon While Triggering Brassinosteroids and Stress-Related Compounds

    Directory of Open Access Journals (Sweden)

    Luigi Lucini

    2018-04-01

    Full Text Available Plant biostimulants are receiving great interest for boosting root growth during the first phenological stages of vegetable crops. The present study aimed at elucidating the morphological, physiological, and metabolomic changes occurring in greenhouse melon treated with the biopolymer-based biostimulant Quik-link, containing lateral root promoting peptides, and lignosulphonates. The vegetal-based biopolymer was applied at five rates (0, 0.06, 0.12, 0.24, or 0.48 mL plant-1 as substrate drench. The application of biopolymer-based biostimulant at 0.12 and 0.24 mL plant-1 enhanced dry weight of melon leaves and total biomass by 30.5 and 27.7%, respectively, compared to biopolymer applications at 0.06 mL plant-1 and untreated plants. The root dry biomass, total root length, and surface in biostimulant-treated plants were significantly higher at 0.24 mL plant-1 and to a lesser extent at 0.12 and 0.48 mL plant-1, in comparison to 0.06 mL plant-1 and untreated melon plants. A convoluted biochemical response to the biostimulant treatment was highlighted through UHPLC/QTOF-MS metabolomics, in which brassinosteroids and their interaction with other hormones appeared to play a pivotal role. Root metabolic profile was more markedly altered than leaves, following application of the biopolymer-based biostimulant. Brassinosteroids triggered in roots could have been involved in changes of root development observed after biostimulant application. These hormones, once transported to shoots, could have caused an hormonal imbalance. Indeed, the involvement of abscisic acid, cytokinins, and gibberellin related compounds was observed in leaves following root application of the biopolymer-based biostimulant. Nonetheless, the treatment triggered an accumulation of several metabolites involved in defense mechanisms against biotic and abiotic stresses, such as flavonoids, carotenoids, and glucosinolates, thus potentially improving resistance toward plant stresses.

  3. Study of the magnetic properties of Tb(Cosub(1-x)Nisub(x))sub(5) compounds

    International Nuclear Information System (INIS)

    Pirogov, A.N.; Kelarev, V.V.; Ermolenko, A.S.; Chuev, V.V.; Sidorov, S.K.; Artamonova, A.M.

    1982-01-01

    The crystal and magnetic structures of Tb(Cosub(1-x)Nisub(x))sub(5) compounds are investigated by neutron-diffraction and magnetic techniques. It is shown that the Ni ions occupy predominantly the 2c positions and the Co ions 3g positions in the crystal unit of the CaCu 5 type of structure. The magnetic phase diagram is set up. From an analysis of the concentration dependence of the magnetizations of the 2c- and 3g-sublattices it is concluded that the magnetic moments at the Co ions are constant. The magnetic moment of the Ni ions in the compounds studied are found to depend on the concentration x. Estimations based on the assumption of constancy of the R-R and R-Co exchange interaction energies indicate that Co-Co interactions contribute significantly to the Curie temperature of compounds with a low Co content (x=0.8). It is found that the temperature dependence of the magnetization of the 2c-sublattice is related to the direction of the easy magnetization axis of the crystal, a consequence being a jump of the magnetization in the easy plane - easy axis transition. On this basis it is concluded that Co atoms in the 2c positions give the major contribution to the magnetic anisotropy of Co sublattice for compounds of the RCo 5 type

  4. Profiling the Phenolic Compounds of the Four Major Seed Coat Types and Their Relation to Color Genes in Lentil.

    Science.gov (United States)

    Mirali, Mahla; Purves, Randy W; Vandenberg, Albert

    2017-05-26

    Phenolic compounds can provide antioxidant health benefits for humans, and foods such as lentils can be valuable dietary sources of different subclasses of these secondary metabolites. This study used LC-MS analyses to compare the phenolic profiles of lentil genotypes with four seed coat background colors (green, gray, tan, and brown) and two cotyledon colors (red and yellow) grown at two locations. The mean area ratio per mg sample (MARS) values of various phenolic compounds in lentil seeds varied with the different seed coat colors conferred by specific genotypes. Seed coats of lentil genotypes with the homozygous recessive tgc allele (green and gray seed coats) had higher MARS values of flavan-3-ols, proanthocyanidins, and some flavonols. This suggests lentils featuring green and gray seed coats might be more promising as health-promoting foods.

  5. Spelling and Meaning of Compounds in the Early School Years through Classroom Games: An Intervention Study.

    Science.gov (United States)

    Tsesmeli, Styliani N

    2017-01-01

    The study aimed to evaluate the intervention effects on spelling and meaning of compounds by Greek students via group board games in classroom settings. The sample consisted of 60 pupils, who were attending the first and second grade of two primary schools in Greece. Each grade-class was divided into an intervention ( N = 29 children) and a control group ( N = 31 children). Before intervention, groups were evaluated by standardized tests of reading words/pseudowords, spelling words, and vocabulary. Students were also assessed on compound knowledge by a word analogy task, a meaning task and a spelling task. The experimental design of the intervention included a pre-test, a training program, and a post-test. The pre- and post-assessments consisted of the spelling and the meaning tasks entailing equally morphologically transparent and opaque compounds. The training program was based on word families ( N = 10 word families, 56 trained items, 5 sessions) and aimed to offer instruction of morphological decomposition and meaning of words. The findings showed that training was effective in enhancing the spelling and most notably the meaning of compounds. A closer inspection of intervention data in terms of morphological transparency, revealed that training group of first graders improved significantly both on transparent and opaque compounds, while the degree of gains was larger on opaque items for the second graders. These findings are consistent with the experimental literature and particularly optimistic for the literacy enhancement of typically developing children in regular classrooms.

  6. Recent progress of soft X-ray photoelectron spectroscopy studies of uranium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Fujimori, Shin-ichi; Takeda, Yukiharu; Okane, Tetsuo; Saitoh, Yuji [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Fujimori, Atsushi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, University of Tokyo, Hongo, Tokyo 113-0033 (Japan); Yamagami, Hiroshi [Condensed Matter Science Divisions, Japan Atomic Energy Agency, Sayo, Hyogo (Japan); Department of Physics, Faculty of Science, Kyoto Sangyo University, Kyoto 603-8555 (Japan); Yamamoto, Etsuji; Haga, Yoshinori [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Ōnuki, Yoshichika [Advanced Science Research Center, Japan Atomic Energy Agency, Tokai, Ibaraki 319-1195 (Japan); Faculty of Science, University of the Ryukyus, Nishihara, Okinawa 903-0213 (Japan)

    2016-04-15

    Recent progresses in the soft X-ray photoelectron spectroscopy (PES) studies (hν ≳ 100 eV) for uranium compounds are briefly reviewed. The soft X-ray PES has enhanced sensitivities for the bulk U 5f electronic structure, which is essential to understand the unique physical properties of uranium compounds. In particular, the recent remarkable improvement in energy resolutions from an order of 1 eV to 100 meV made it possible to observe fine structures in U 5f density of states. Furthermore, soft X-ray ARPES becomes available due to the increase of photon flux at beamlines in third generation synchrotron radiation facilities.The technique made it possible to observe bulk band structures and Fermi surfaces of uranium compounds and therefore, the results can be directly compared with theoretical models such as band-structure calculations. The core-level spectra of uranium compounds show a systematic behavior depending on their electronic structures, suggesting that they can be utilized to determine basic physical parameters such as the U 5f-ligand hybridizations or Comlomb interaction between U 5f electrons. It is shown that soft X-ray PES provides unique opportunities to understand the electronic structures of uranium compounds.

  7. Cell protein cross-linking by erbstatin and related compounds | Center for Cancer Research

    Science.gov (United States)

    The scheme depicts a possible mechanism of cross-linking by erbstatin and related analogues. A mechanism of action is proposed which involves initial oxidation to reactive quinone intermediates that subsequently cross-link protein nucleophiles via multiple 1,4-Michael-type additions. Similar alkylation of protein by protein-tyrosine kinase inhibitors, such as herbimycin A, has

  8. Miniaturised sample preparation method for the multiresidual determination of regulated organohalogenated pollutants and related compounds in wild bird eggs.

    Science.gov (United States)

    Roscales, Jose L; Vicente, Alba; Ramos, Lourdes; Jiménez, Begoña

    2017-08-01

    A simplified, miniaturised matrix solid-phase dispersion (MSPD)-based method allowing the simultaneous extraction and purification of contaminants belonging to selected families of regulated persistent organic pollutants (POPs), i.e. polychlorinated biphenyls (PCBs), organochlorine pesticides (OCPs) and penta- to octa-polybrominated diphenyl ethers (PBDEs), and related contaminants of emerging concern, such as deca-BDE and Dechlorane Plus (DP), has been proposed. Wild bird eggs were used as biotic fat-containing model matrices. Once optimised, the procedure allowed sample preparation to be accomplished within 30 min, in a single step, and with minimal sample and reagent consumption and waste generation. These features contributed to speeding up and greening the analytical process as compared to the large-scale multistep procedures for these types of analyses. The method was combined with gas chromatography-quadrupole mass spectrometry (GC-qMS) for PCB and OCP analysis and with GC-negative ion chemical ionisation-quadrupole mass spectrometry (NCI-qMS) for PBDE and DP determination. The complete analytical method provided satisfactory recoveries of the target compounds (above 83% for all analytes, except for PBDE 209, 63%), although as small an amount of sample as 0.300 g was used. The repeatability of the complete procedure was less than 16% (with the only exception for PCB 153, which looked to be affected by an interference). The limits of detection were in all cases lower than 34 pg g -1 dry weight (as calculated for real samples), demonstrating the feasibility of the proposed procedure for accurate determination of the target compounds in biological samples. The proposed procedure was applied to the analysis of the target POPs in unhatched eggs of wild bird species. Graphical abstract Scheme of the miniaturised methodology proposed for environmental monitoring of POPs and related compounds in wild bird eggs.

  9. Study of two-stage turbine characteristic and its influence on turbo-compound engine performance

    International Nuclear Information System (INIS)

    Zhao, Rongchao; Zhuge, Weilin; Zhang, Yangjun; Yang, Mingyang; Martinez-Botas, Ricardo; Yin, Yong

    2015-01-01

    Highlights: • An analytical model was built to study the interactions between two turbines in series. • The impacts of HP VGT and LP VGT on turbo-compound engine performance were investigated. • The fuel reductions obtained by HP VGT at 1900 rpm and 1000 rpm are 3.08% and 7.83% respectively. • The optimum value of AR ranged from 2.0 to 2.5 as the turbo-compound engine speed decreases. - Abstract: Turbo-compounding is an effective way to recover waste heat from engine exhaust and reduce fuel consumption for internal combustion engine (ICE). The characteristics of two-stage turbine, including turbocharger turbine and power turbine, have significant effects on the overall performance of turbo-compound engine. This paper investigates the interaction between two turbines in a turbo-compound engine and its impact on the engine performance. Firstly an analytical model is built to investigate the effects of turbine equivalent flow area on the two-stage turbine characteristics, including swallowing capacity and load split. Next both simulation and experimental method are carried out to study the effects of high pressure variable geometry turbine (HP VGT), low pressure variable geometry turbine (LP VGT) and combined VGT on the engine overall performance. The results show that the engine performance is more sensitive to HP VGT compared with LP VGT at all the operation conditions, which is caused by the larger influences of HP VGT on the total expansion ratio and engine air–fuel ratio. Using the HP VGT method, the fuel reductions of the turbo-compound engine at 1900 rpm and 1000 rpm are 3.08% and 7.83% respectively, in comparison with the baseline engine. The corresponding optimum values of AR are 2.0 and 2.5

  10. Chiral halogenated Schiff base compounds: green synthesis, anticancer activity and DNA-binding study

    Science.gov (United States)

    Ariyaeifar, Mahnaz; Amiri Rudbari, Hadi; Sahihi, Mehdi; Kazemi, Zahra; Kajani, Abolghasem Abbasi; Zali-Boeini, Hassan; Kordestani, Nazanin; Bruno, Giuseppe; Gharaghani, Sajjad

    2018-06-01

    Eight enantiomerically pure halogenated Schiff base compounds were synthesized by reaction of halogenated salicylaldehydes with 3-Amino-1,2-propanediol (R or S) in water as green solvent at ambient temperature. All compounds were characterized by elemental analyses, NMR (1H and 13C), circular dichroism (CD) and FT-IR spectroscopy. FS-DNA binding studies of these compounds carried out by fluorescence quenching and UV-vis spectroscopy. The obtained results revealed that the ligands bind to DNA as: (Rsbnd ClBr) > (Rsbnd Cl2) > (Rsbnd Br2) > (Rsbnd I2) and (Ssbnd ClBr) > (Ssbnd Cl2) > (Ssbnd Br2) > (Ssbnd I2), indicating the effect of halogen on binding constant. In addition, DNA-binding constant of the Ssbnd and R-enantiomers are different from each other. The ligands can form halogen bonds with DNA that were confirmed by molecular docking. This method was also measured the bond distances and bond angles. The study of obtained data can have concluded that binding affinity of the ligands to DNA depends on strength of halogen bonds. The potential anticancer activity of ligands were also evaluated on MCF-7 and HeLa cancer cell lines by using MTT assay. The results showed that the anticancer activity and FS-DNA interaction is significantly dependent on the stereoisomers of Schiff base compounds as R-enantiomers displayed significantly higher activity than S-enantiomers. The molecular docking was also used to illustrate the specific DNA-binding of synthesized compounds and groove binding mode of DNA interaction was proposed for them. In addition, molecular docking results indicated that there are three types of bonds (Hsbnd and X-bond and hX-bond) between synthesized compounds and base pairs of DNA.

  11. Study of bismuth oxide compounds as cathodic materials in lithium accumulators

    International Nuclear Information System (INIS)

    Apostolova, R.D.; Shembel', E.M.

    1999-01-01

    Two groups of bismuth oxide base compounds: rare earth bismuthides - SmBiO 3 and EuBiO 3 , as well as the Aurivillius phase - Bi 4 V 2 O 11 , were synthesized and electrochemically studied as novel cathodic materials for high-energy lithium current sources [ru

  12. Moessbauer studies of non-linear excitations and gold cluster compounds

    International Nuclear Information System (INIS)

    Smit, H.H.A.

    1988-01-01

    Moessbauer effect spectroscopy has been applied to the study of three polynuclear gold cluster compounds. The resulting information on the local vibrational density of states has been compared to several models which take the finite size of the particles into consideration. 188 refs.; 34 figs.; 103 schemes; 8 tabs

  13. Study of the emission oxidative reactions of ruthenium (II) complex by cationic compounds in anionic micelles

    International Nuclear Information System (INIS)

    Bonilha, J.B.S.

    1985-01-01

    The oxidative quenching of the emission of the tetraanionic complex tris (4,4' dicarboxylate - 2,2' - bipyridine ruthenium (II) in aqueous solution, by both organic and inorganic compounds in presence of anionic detergents, above and below the critical micelle concentration is studied. The organic cations, the inorganic ion and detergents used are shown. (M.J.C.) [pt

  14. Thermodynamics of volume-collapse transitions in cerium and related compounds

    International Nuclear Information System (INIS)

    Bustingorry, S.; Jagla, E.A.; Lorenzana, J.

    2005-01-01

    We present a non-linear elastic model of a coherent transition with discontinuous volume change in an isotropic solid. The model reproduces the anomalous thermodynamics typical of coherent equilibrium including intrinsic hysteresis (for a pressure driven experiment) and a negative bulk modulus. The novelty of the model is that the statistical mechanics solution can be easily worked out. We find that coherency leads to an infinite-range density-density interaction, which drives classical critical behavior. The pressure width of the hysteresis loop shrinks with increasing temperature, ending at a critical point at a temperature related to the shear modulus. The bulk modulus softens with a 1/2 exponent at the transition even far from the critical point. Many well known features of the phase diagram of Ce and related systems are explained by the model

  15. Comparative Studies on the Radiolabeling and Chromatographic Purification of Some Medically Important Compounds

    International Nuclear Information System (INIS)

    El-Gizawy, M.A.E.

    2013-01-01

    The present thesis comprises five basic chapters: The first chapter includes the main idea of our study and its problems, also includes the aim of the work of our study. The second chapter includes the theoretical consideration of the subject. It deals with the general methods of labeling, factors that influence the integrity of labeled compounds, radionuclides used for diagnostic nuclear medicine, production methods and radioactive properties of 123 I, 125 I and 131 I. It includes also the techniques used for the preparation of the radioiodinated compounds especially the electrophilic radioiodination technique. This chapter deals also with the medical imaging, techniques of diagnostic nuclear medicine and the purification of radioiodinated compounds using different chromatographic techniques. Since these radioiodinated compounds are used for diagnosis and therapeutic treatment of human diseases, quality control tests such as determination of chemical purity, radionuclidic purity, radiochemical purity, sterility, pyrogenicity and biodistribution are performed to ensure the purity, the safety and efficiency of these products for the intended nuclear medicine application. The third chapter describes the experimental section; comprising chemicals, reagents, the radionuclides, the equipments and the counting systems used in the study. It describes the electrophilic radioiodination using chloramine-T (CAT), iodogen and lactoperoxidase oxidizing agents and the factors affecting the radiochemical yield of the radioiodination of histamine and L-tyrosine methyl ester such as substrate concentration, ph of the medium, reaction time, temperature and stability of the labeled product. This chapter also includes the techniques used in the Purification of radioiodinated compounds, including paper electrophoresis, thin layer chromatography (TLC), Poly acrylamide-acrylic acid resin [P(AAm-AA) resin] and high performance liquid chromatography (HPLC), in addition, the quality control

  16. Silica-filled tire tread compounds: an investigation into the viscoelastic properties of the rubber compounds and their relation to tire performance

    NARCIS (Netherlands)

    Maghami, S.

    2016-01-01

    With increasing the global concern for fossil fuel consumption, automotive industry moves toward more efficient vehicles. Tires are of great importance in this respect, as the tire compound material in contact with the road surface and under the cyclic deformation dissipates energy due to its

  17. Gut-related radionuclide studies

    International Nuclear Information System (INIS)

    Sullivan, M.F.

    1982-01-01

    This project is concerned with the behavior of radioactive materials that may be ingested as a consequence of a reactor accident, unavoidable occupational exposure, or after release to the environment and incorporation into the food chain. Current emphasis is directed toward evaluating hazards from ingested actinides as a function of animal age, species, nutrition, and diet, or chemicophysical state of the actinide. Recent observations indicate that the influence of chemical form on plutonium absorption observed at high mass levels does not occur at low mass concentrations. For example, at doses of 0.6 μg/kg there was no difference between absorption of the carbonate, citrate or nitrate forms of plutonium. However, at 1.5 mg/kg, the citrate was absorbed in quantities 30 times higher than the nitrate. The opposite effect occurred for neptunium GI absorption. Furthermore, it was demonstrated that materials such as citrus fruit juices and calcium, as well as drugs that affect GI function (such as aspirin and DTPA), markedly influence GI absorption of plutonium. Such studies provide evidence that diet and nutritional state should be considered in establishing safe limits for radionuclides that may be ingested

  18. Ultraviolet irradiation of nucleic acids and related compounds. Final progress report

    International Nuclear Information System (INIS)

    Wang, S.Y.

    1976-01-01

    Progress is reported on the following research projects: photohydration of pyrimidine derivatives; thymine dimerization; uv-induced formation of pyrimidinyl radicals; formation of a coupled product by irradiation of 5-bromouracil derivatives; studies on pyrimidine adducts; molecular aggregates-puddle formation hypothesis of pyrimidine photodimerization; and topochemical studies of structures of dimers and of crystalline arrangements

  19. Multigram Synthesis and in Vivo Efficacy Studies of a Novel Multitarget Anti-Alzheimer’s Compound

    Directory of Open Access Journals (Sweden)

    Irene Sola

    2015-03-01

    Full Text Available We describe the multigram synthesis and in vivo efficacy studies of a donepezil‒huprine hybrid that has been found to display a promising in vitro multitarget profile of interest for the treatment of Alzheimer’s disease (AD. Its synthesis features as the key step a novel multigram preparative chromatographic resolution of intermediate racemic huprine Y by chiral HPLC. Administration of this compound to transgenic CL4176 and CL2006 Caenorhabditis elegans strains expressing human Aβ42, here used as simplified animal models of AD, led to a significant protection from the toxicity induced by Aβ42. However, this protective effect was not accompanied, in CL2006 worms, by a reduction of amyloid deposits. Oral administration for 3 months to transgenic APPSL mice, a well-established animal model of AD, improved short-term memory, but did not alter brain levels of Aβ peptides nor cortical and hippocampal amyloid plaque load. Despite the clear protective and cognitive effects of AVCRI104P4, the lack of Aβ lowering effect in vivo might be related to its lower in vitro potency toward Aβ aggregation and formation as compared with its higher anticholinesterase activities. Further lead optimization in this series should thus focus on improving the anti-amyloid/anticholinesterase activity ratio.

  20. Transition conductivity study of high temperature superconductor compounds: the role of fluctuations

    International Nuclear Information System (INIS)

    Pagnon, V.

    1991-04-01

    This memory subject is the transition conductivity study of high temperature superconductors in corelation with their anisotropy. Systematic conductivity measurements were made on YBaCuO and BaSrCaCuO in relation with temperature from 4.2 K to 1200 K, and with a magnetic field up to 8 T in several directions. Oxygen order has an effect on the characteristics at YBaCuO transition conductivity. The activation energy for oxygen absorption is about 0.5eV. One method of analysis of the conductivity fluctuations about the transition temperature is proposed. Two separate rates are noticeable in YBaCuO compound. The 3 D fluctuations rate in the immediate neighbourghood of the transition lets place to the 2 D fluctuations rate at high temperature. Transitions temperatures governing each rate are different, that's incompatible with the formula proposed by Lawrence and Doniach. On the other hand, the analogy with quasi-2 D magnetic systems seems more relevant. A magnetic field application or a lowering of oxygen concentration removes the 3 D fluctuations rate. Non ohmic effects observed at the transition conductivity foot are analysis as a non-linear 2 D excitation manifestation of the supraconductive phase. Finally, by measurements on strontium doped YBaCuO crystals, we confirm a metal-insulator transition along the C-Axe when oxygen concentration reduces. This is connected with the specific heat jump. All these results uplighten the fundamental bidimensional character of high transition temperature superconductivity [fr

  1. Moessbauer Study of the Ball Milling Disordering Process of FeAl Intermetallic Compounds

    International Nuclear Information System (INIS)

    Oleszak, Dariusz; Bruna, Pere; Crespo, Daniel; Pradell, Trinitat

    2005-01-01

    Structural changes during ball milling of ordered Fe50Al50 intermetallic compounds were studied. X-Ray diffraction allowed the computation of a Long Range Order parameter (LRO) which dropped to zero after a short milling time. The initial B2 ordered structure gradually transforms into a disordered BCC structure, with a final crystallite size of about 25 nm. Moessbauer spectroscopy was used for obtaining a Chemical Short Range Order parameter (CSRO). Using a semiempirical n-body noncentral potential a model of the partially disordered B2 structure was built allowing computing the distribution of Quadrupole Splitting during the disordering process. Comparison between experimental and simulated Moessbauer spectra shows a maximum of disorder in the system for 5h milling, related to the highest value of the lattice spacing and the broader quadrupole hyperfine distribution. However, after milling for times longer than 5h, there is a change on the behavior of the experimental data that cannot be explained by the simple disordering process

  2. Influence of tryptophan and related compounds on ergot alkaloid formation in Claviceps purpurea (FR.) Tul.

    Science.gov (United States)

    Erge, D; Schumann, B; Gröger, D

    1984-01-01

    L-Tryptophan did not exert any influence on peptide alkaloid formation in an ergotamine and in an ergosine-accumulating C. purpurea strain. A different picture was observed in a series of related C. purpurea strains. Tryptophan showed a slight stimulatory effect on the ergotoxine producer Pepty 695/S. A blocked mutant of it, designated as Pepty 695/ch which was able to accumulate secoclavines gave similar results. In a high-yielding elymoclavine strain Pepty 695/e, the progeny of the former one, tryptophan up to a concentration of 25 mM stimulated remarkably clavine biosynthesis. Furthermore, tryptophan could overcome the block of synthesis by inorganic phosphate. Increased specific activities of chanoclavine cyclase but not DMAT synthetase were observed in cultures of strain Pepty 695/e supplemented with tryptophan. 5-Methyltryptophan and bioisosteres of tryptophan were ineffective in alkaloid stimulation. These results are compared with those obtained with the grass ergot strain SD 58 and discussed with the relation to other induction phenomena.

  3. A study on the alkali leaching of complex compound for molybdenum trioxide and ferric oxide

    International Nuclear Information System (INIS)

    Kim, C.G.; Whang, Y.K.

    1981-01-01

    This study is to determine the alkali-leaching meachanism by which complex compound by the reaction made between molybdenite (MoS 2 ) and ferric oxide (Fe 2 O 3 ) in the roasted are when molybdenum trioxide (MoO 3 ) is formed by the roasting reaction of molybdenite concentrate. The results obtained from this experiment are summarized as follows: The heating reaction analysis shows that the complex compound of iron molybdates (Fe 2 O 3 .3-4 MoO 3 ) is formed by the reaction of molybdenum trioxide and ferric oxide at temperatures of above 500 0 C. It is shown that at various reaction temperature below 400 0 C molybdenum trioxide is almost completely leached by caustic soda irrespective of the mole ratio of two chemical samples used for the experiment, whereas at temperature above 400 0 C the leaching rate of molybdenum trioxide decreases except that it varies from 70.77% at a temperature of 900 0 C at which the mole ratio is 1 to 1 to 84.08% at a temperature of 1000 0 C. The x-ray diffraction analysis has shown that the complex compound reacted at a temperature of 1000 0 C produces a complex compound with the crystal structure of iron molybdates, and the alkali-leached residues even with 19.0% of molybdenum trioxide, however, contain only α-Fe 2 O 3 , without showing iron molybdates. The crystalline compound of iron molybdates obtained as a result of heating reaction was leached by using caustic soda, while MoO 3 and Fe 2 O 3 in the leaching residue was found to contain other compounds unable to be leached by caustic soda. (author)

  4. Converting a C-130 Hercules into a Compound Helicopter: A Conceptual Design Study

    Science.gov (United States)

    Kottapalli, Anjaney P.; Harris, Franklin D.

    2010-01-01

    This study presents the performance and weight changes for a Compound C-130 as compared to the Baseline C-130H Hercules, using NDARC as the primary analysis tool. First, the C-130H was modeled within NDARC, from which performance at various conditions and a parametric weight statement were generated. Then, the C-130H NDARC file was modified to represent the Compound C-130, which was then put through the same performance analysis as the C-130H. A parametric weight statement was also calculated for the Compound C-130, which allowed for comparison to the C-130H. As part of the modeling of the Compound C-130, a Rotor Design Spreadsheet was created that would allow the direct calculation of the weight of the main rotors being added. Using composite materials led to considerable weight savings for both the rotor system and the hub weights. These weight savings are reflected in the NDARC Technology Factors which were determined to be 0.71 and 0.5 for the rotor blades and the hub/hinge system, respectively. Such Technology Factors suggest that using composites for other components could drastically lighten the Operating Empty Weight of the aircraft. The weight statements show the weights for each of the components on each aircraft. It is quite evident that the Compound C-130 has a higher Operating Empty Weight due to the addition of the two main rotors and a drive system to connect each engine group on the wing tips. Upon further analysis, the main weight driver is the drive system. While the main rotor/hub/hinge weight increase is to be expected, the weight increase due to the transmission drive and gear boxes are cause for concern. Unless a method can be found of reducing the weight of the drive system, the weight penalty makes the Compound a C-130 an inefficient aircraft in terms of payload/fuel capacity. Possible solutions are either off-loading some of the power requirements through the drive system or using composite materials in the construction of the drive system

  5. Biological and Pharmacological Activities of Squalene and Related Compounds: Potential Uses in Cosmetic Dermatology

    Directory of Open Access Journals (Sweden)

    Jia-You Fang

    2009-01-01

    Full Text Available Squalene is a triterpene that is an intermediate in the cholesterol biosynthesis pathway. It was so named because of its occurrence in shark liver oil, which contains large quantities and is considered its richest source. However, it is widely distributed in nature, with reasonable amounts found in olive oil, palm oil, wheat-germ oil, amaranth oil, and rice bran oil. Squalene, the main component of skin surface polyunsaturated lipids, shows some advantages for the skin as an emollient and antioxidant, and for hydration and its antitumor activities. It is also used as a material in topically applied vehicles such as lipid emulsions and nanostructured lipid carriers (NLCs. Substances related to squalene, including β-carotene, coenzyme Q10 (ubiquinone and vitamins A, E, and K, are also included in this review article to introduce their benefits to skin physiology. We summarize investigations performed in previous reports from both in vitro and in vivo models.

  6. Measurement of volatile organic compounds in suburban Bangkok, Thailand: characteristics and influence from combustion related activities

    Science.gov (United States)

    Suthawaree, J.; Tajima, Y.; Kato, S.; Khunchornyakong, A.; Sharp, A.; Kajii, Y.

    2009-12-01

    Elucidation of air quality in the suburban area of Bangkok, Thailand is essential in order to achieve effective regulations and mitigation strategies. VOCs plays important role in formation of tropospheric urban ozone. Without overkill NO concentration, transport of O3 precursors into suburban area which add surplus to local O3 formation as well as direct transport of O3 itself results in relatively higher total O3 observed in suburban area rather than urban. Whole air canister sampling was carried out in the suburban Bangkok during 2008, July 2-7. 4 samples per day were collected at 30 min passes 6, 12, 17, 21 hours with sampling time of 1 min. Analysis was achieved by using GC-FID and GC-MS. High concentrations of VOCs detected during the peak periods in the morning and evening are most likely due to vehicular emission. Averaged VOCs concentrations, reveal distinct different between data measured for weekday and weekend which the latter were found with lower concentrations. No difference was found for CFCs which the levels are also comparable to global background level reported by World Meteorological Organization. The most abundance species have found to be propane and toluene with averaged concentration of 3100 and 2891 pptv, respectively. Ratios of benzene over toluene suggest additional concentration owing to industrial emission, of which particularly larger during the weekday. Comparison with C2Cl4 and CH3Cl concentrations obtained for suburban Tokyo reveal relatively higher influence of biomass burning at suburban Bangkok. In order to estimate the role of the different VOCs towards tropospheric ozone formation, ozone formation potential was calculated using maximum incremental reactivity. Toluene was found to contribute the most to O3 production followed by ethylene, m,p-xylene, and propylene.

  7. Bonding in inorganic compounds: a study by x-ray photoelectron spectroscopy

    International Nuclear Information System (INIS)

    Avanzino, S.C.

    1978-10-01

    Core electron binding energies were measured for a variety of inorganic and organometallic compounds using gas-phase X-ray photoelectron spectroscopy (XPS). The atomic charge distributions in these molecules are deduced from the binding energies, often leading to a better understanding of the bonding in these compounds. The XPS spectra of fifteen volatile tin compounds were recorded. The data suggest that the metal d orbitals are not significantly involved in the bonding. The oxygen ls XPS spectra of gaseous CH 3 Mn(CO) 5 , [π-C 5 H 5 Fe(CO) 2 ] 2 , and Co 4 (CO) 12 can be readily resolved into separate peaks due to bridging and terminal carbonyl groups. The C ls spectrum of Fe(CO) 5 consists of a single symmetric peak. The carbonyl ligand core binding energies of transition-metal carbonyl complexes are sensitive to differences in the metal-to-CO ligand bonding. Both C ls and O ls carbonyl binding energies correlate well with average C-O stretching force constants or average C-O stretching frequencies. The metal and carbonyl binding energies in a series of pentacarbonylmanganese complexes LMn(CO) 5 are a good measure of the relative electronegativities of the ligands L. High-quality X-ray photoelectron spectra have been obtained for compounds dissolved in glycerin solutions, and aqueous solutions were converted into glycerin solutions which gave good XRSspectra of the solutes. The technique appears promising as a future analytical application of X-ray photoelectron spectroscopy. The shifts in the binding energies of oxygen, chlorine, and carbon atoms in some isoelectronic isostructural compounds can be explained in terms of simple trends in atomic charges

  8. Stability studies of endocrine disrupting tributyltin and triphenyltin compounds in an artificial sea water model.

    Science.gov (United States)

    Novotny, Ladislav; Sharaf, Leyla; Abdel-Hamid, Mohammed E; Brtko, Julius

    2018-01-01

    Triorganotins belong to toxic components present predominantly in antifouling paints for marine vessels. Tributyltin/triphenyltin at pico- or nanomolar concentrations in sea water are known to induce an irreversible sexual abnormality in females of over 190 marine species, an "imposex" phenomenon - the superimposition of male genitalia on a female. Moreover, trialkyltins and triaryltins function as potent nuclear retinoid X receptors (RXR) agonists. In mammals, triorganotin compounds induce immunosuppressive, metabolic, reproductive or developmental effects. Toxic effects of triorganotins warrant the need for monitoring of their long-lasting presence in the environment. This study brings novel data on the stability of two triorganotin compounds in artificial sea water model obtained by applying ultra-pressure liquid chromatography (UPLC) and gas chromatography-mass spectrometry (GC-MS) methods. Stability of tributyltin and triphenyltin chlorides was studied for 180 days and the degradation kinetic parameters were obtained. Tributyltin chloride was the less stable with the degradation kinetic parameters Kdeg = 0.00014 day-1 and t1/2 = 4950 days (13.6 years). Kdeg of the more stable triphenyltin chloride was determined to be Kdeg = 0.00006 day-1 with t1/2 = 11550 days (31.6 years). Since similar stability data of triorganotin compounds were not published previously, we report high stability for both tested compounds, which indicates a significant environmental problem when these substances enter sea water and later coastal sediments.

  9. Antioxidant and cytotoxic activities of Dendrobium moniliforme extracts and the detection of related compounds by GC-MS.

    Science.gov (United States)

    Paudel, Mukti Ram; Chand, Mukesh Babu; Pant, Basant; Pant, Bijaya

    2018-04-23

    The medicinal orchid Dendrobium moniliforme contains water-soluble polysaccharides, phenanthrenes, bibenzyl derivatives, and polyphenol compounds. This study explored the antioxidant and cytotoxic activities of D. moniliforme extracts and detected their bioactive compounds. Plant material was collected from the Daman of Makawanpur district in central Nepal. Plant extracts were prepared from stems using hexane, chloroform, acetone, ethanol and methanol. The total polyphenol content (TPC) in each extract was determined using Folin-Ciocalteu's reagent and the total flavonoid content (TFC) in each extract was determined using the aluminium chloride method. The in vitro antioxidant and cytotoxic activities of each extract were determined using DPPH (2,2-diphenyl-1-picrylhydrazyl) and MTT (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide) assays respectively. Gas chromatography and mass spectrometry (GC-MS) analysis was used to detect bioactive compounds. TPC content was highest (116.65 μg GAE/mg of extract) in D. moniliforme chloroform extract (DMC) and TFC content was highest (116.67 μg QE/mg of extract) in D. moniliforme acetone extract (DMA). D. moniliforme hexane extract (DMH) extract showed the highest percentage of DPPH radical scavenging activity (94.48%), followed closely by D. moniliforme ethanol extract (DME) (94.45%), DMA (93.71%) and DMC (94.35%) at 800 μg/ml concentration. The antioxidant capacities of DMC, DMA, DMH and DME, which were measured in IC 50 values, were much lower 42.39 μg/ml, 49.56 μg/ml, 52.68 μg/ml, and 58.77 μg/ml respectively than the IC 50 of D. moniliforme methanol extract (DMM) (223.15 μg/ml). DMM at the concentration of 800 μg/ml most inhibited the growth of HeLa cells (78.68%) and DME at the same concentration most inhibited the growth of U251 cells (51.95%). The cytotoxic capacity (IC 50 ) of DMM against HeLa cells was 155.80 μg/ml of extract and that of DME against the U251 cells was 772.50 μg/ml of

  10. HPLC-ICP/MS Analysis of Thyroid Hormone and Related Iodinated Compounds in Tissues and Media

    Science.gov (United States)

    Quantifying thyroid hormone (TH) and the synthetic precursors and metabolic products of TH is important for developing models of the hypothalamic-pituitary-thyroid (HPT) axis as well as for understanding the effects of xenobiotics on HPT axis function. In this study, the developm...

  11. Leaf area compounds height-related hydraulic costs of water transport in Oregon White Oak trees.

    Science.gov (United States)

    N. Phillips; B. J. Bond; N. G. McDowell; Michael G. Ryan; A. Schauer

    2003-01-01

    The ratio of leaf to sapwood area generally decreases with tree size, presumably to moderate hydraulic costs of tree height. This study assessed consequences of tree size and leaf area on water flux in Quercus garryana Dougl. ex. Hook (Oregon White Oak), a species in which leaf to sapwood area ratio increases with tree size. We tested hypotheses that...

  12. Study on ionizing radiation effects in diesel and crude oil: organic compounds, hydrocarbon, sulfur and nitrogen

    International Nuclear Information System (INIS)

    Andrade, Luana dos Santos

    2014-01-01

    Petroleum is the most important energy and pollution source in the world, nowadays. New technologies in petrochemical industry aim to minimize energy spending at the process and to reduce pollution products. Sulfur and nitrogen compounds generate environmental problems; the most relevant is air pollution that affects the population health directly. The nuclear technology has been used in environmental protection through pollutants removal by free radicals produced at action of the radiation in water molecule. The objective of this study is to evaluate the radiation effects on oil and diesel, mainly in the hydrocarbons, organic sulfur, and nitrogen compounds. It was studied a molecule model of sulfur, named benzothiophene, diesel and crude oil samples. The samples were irradiated using a Co-60 source, Gammacell type. The total sulfur concentration in the samples was determined by X-ray fluorescence spectrometry, and organic compounds were analyzed by gas chromatography coupled to mass spectrometry (GC-MS). The study of molecular model showed that 95% was degraded at 20 kGy dose rate. Irradiation at 15 kGy of absorbed dose showed some cracking in petrol hydrocarbons, however with higher doses it was observed polymerization and low efficiency of cracking. It was observed that the sulfur compounds from diesel and petroleum was efficiently reduced. The applied doses of 15 kGy and 30 kGy were the most efficient on desulfurization of petroleum, and for diesel the highest variation was observed with 30 kGy and 50 kGy of absorbed dose. The distillation and chromatographic separation using an open column with palladium chloride as stationary phase showed a preferential separation of organic sulfur compounds in petroleum. (author)

  13. Potential contribution of aromatase inhibition to the effects of nicotine and related compounds on the brain

    Directory of Open Access Journals (Sweden)

    Anat eBiegon

    2012-11-01

    Full Text Available Cigarette smoking continues to be a major public health problem, and while smoking rates in men have shown some decrease over the last few decades, smoking rates among girls and young women are increasing. Practically all of the important aspects of cigarette smoking are sexually dimorphic. Women become addicted more easily than men, while finding it harder to quit. Nicotine replacement appears to be less effective in women. This may be linked to the observation that women are more sensitive than men to non-nicotine cues or ingredients in cigarettes. The reasons for these sex differences are mostly unknown. Several lines of evidence suggest that many of the reported sex differences related to cigarette smoking may stem from the inhibitory effects of nicotine and other tobacco alkaloids on estrogen synthesis via the enzyme aromatase (cyp19a gene product. Aromatase is the last enzyme in estrogen biosynthesis, catalyzing the conversion of androgens to estrogens. This review provides a summary of experimental evidence supporting brain aromatase as a potential mediator and/or modulator of nicotine actions in the brain, contributing to sex differences in smoking behavior. Additional research on the interaction between tobacco smoke, nicotine and aromatase may help devise new, sex specific methods for prevention and treatment of smoking addiction.

  14. A comparison of major taste- and health-related compounds of Vaccinium berries

    OpenAIRE

    MILIVOJEVIC, Jasminka; MAKSIMOVIC, Vuk; MAKSIMOVIC, Jelena DRAGISIC

    2014-01-01

    The chemical fruit composition, phenolic profile, and corresponding total antioxidant activity of bilberry (Vaccinium myrtillus) and 2 commercial blueberry cultivars (Vaccinium corymbosum) were analyzed. Results from this study showed that cultivar Berkeley yielded the highest glucose and fructose contents (70.8 and 88.8 mg/g FW, respectively), and the sweetness index expressed a similar trend, achieving the highest value for cultivar Berkeley (279.2). Citric acid was the major organic acid i...

  15. Tandem Extraction/Liquid Chromatography-Mass Spectrometry Protocol for the Analysis of Acrylamide and Surfactant-related Compounds in Complex Aqueous Environmental Samples

    Science.gov (United States)

    The development of a liquid chromatography‐mass spectrometry (LC‐MS)‐based strategy for the detection and quantitation of acrylamide and surfactant‐related compounds in aqueous complex environmental samples.

  16. Isolating a cytoprotective compound from Ganoderma tsugae: effects on induction of Nrf-2-related genes in endothelial cells.

    Science.gov (United States)

    Wei, Yu-Shan; Wung, Being-Sun; Lin, Yuan-Chun; Hsieh, Chia-Wen

    2009-08-01

    Ganoderma tsugae is a medicinal fungus with several biological activities. It has long been used as a folk remedy for the promotion of health and longevity in China and other oriental countries. Here, a bioactive fraction of G. tsugae was progressively purified to be enriched in the activity of cytoprotective enzymes. The highest bioactivity was detected in the 20% EtOH-precipitated fraction, which was prepared from submerged fermentation filtrate of G. tsugae. Following further purification by gel filtration chromatography and acetone extraction, the most bioactive fraction, F5-2, was identified as a peptidoglycan-like compound. Extracts of G. tsugae (F5-2) induced heme oxygenase-1 (HO-1) and thioredoxin reductase-1 (TrxR1) expression in endothelial cells by increasing NF-E2-related factor-2 (Nrf2) nuclear translocation. Pretreatment with F5-2 increased intracellular glutathione (GSH) and protected against H(2)O(2), suggesting that induction of these antioxidant enzymes is important in protection against oxidative stress. Hence the bioactive peptidoglycan-like compound from G. tsugae might protect endothelial cells.

  17. Chemical compounds related to nutraceutical and industrial qualities of non-transgenic soybean genotypes.

    Science.gov (United States)

    Carrera, Constanza S; Dardanelli, Julio L; Soldini, Diego O

    2014-05-01

    Information about the chemical profile of soybean seed is valuable for breeding programs aimed at obtaining value-added products to meet the demands of niche markets. The objective of this study was to determine seed composition of non-transgenic soybean genotypes with specialty characters in different environments of Argentina. Protein and oil contents ranged from 396 to 424 g kg⁻¹ and from 210 to 226 g kg⁻¹, respectively. Oleic and linolenic acid ratio, the general indicator of oil quality, varied from 2.7 to 3.8. The oil contained high levels of total tocopherols (1429-1558 mg kg⁻¹) and the meal exhibited high levels of total isoflavones (2.91-4.62 mg g⁻¹). The biplot showed that oleic, linoleic and linolenic acids, γ-, δ- and total tocopherols, genistin, malonyl daidzin and genistin, acetyl daidzin and glycitin and total isoflavones allowed the greatest discrimination among the genotypes studied. Different chemical profiles of each non-transgenic genotype analyzed were established and, therefore, their identity was defined. These results are important for breeders who intend to obtain new genotypes with improved meal and oil quality, as well as for processors and exporters, who could use them directly as raw material for soyfood processing for nutraceutical purposes. © 2013 Society of Chemical Industry.

  18. Photolysis of 5-bromouracil and some related compounds in solution. Pt. 6

    International Nuclear Information System (INIS)

    Campbell, J.M.; Sonntag, C. von; Schulte-Frohlinde, D.

    1974-01-01

    The steady state photolysis of 5-bromouracil (BU) in aqueous solution has been studied as a function of wavelength, pH, temperature, and hydrogen-donor concentration. Under all conditions studied, the primary reaction is shown to be C-Br bond cleavage followed by abstraction from the hydrogen-donor to give uracil and HBr. At pH > 12 further products are formed. In deoxygenated aqueous solution at pH 6, 20 0 C, and 254 nm, the quantum yield of BU consumption, PHI (-BU), is 1.8 x 10 -3 independent of hydrogen-donor type or concentration (e.g. 3 x 10 -2 to 2 m MeOH). With increasing pH, PHI (-BU) increases stepwise to 0.012 at pH 10 and to 0.28 at pH 14. pK-values calculated from these data are the same as ground state pK values. The results have been explained in terms of a homolytic dissociation of the C-Br bond of the excited BU followed by recombination or H atom abstraction by the radicals. At high hydrogen-donor concentration H atom abstraction can compete with cage recombination. A comparison has been made between BU photolysis in organic, hydrogen-donor solvents and BU photolysis within the DNA of bacteria or phages. (orig./HK) [de

  19. Candidate PET radioligands for cannabinoid CB1 receptors: [18F]AM5144 and related pyrazole compounds

    International Nuclear Information System (INIS)

    Li Zizhong; Gifford, Andrew; Liu Qian; Thotapally, Rajesh; Ding Yushin; Makriyannis, Alexandros; Gatley, S. John

    2005-01-01

    Introduction: The mammalian brain contains abundant G protein-coupled cannabinoid CB 1 receptors that respond to Δ 9 -tetrahydrocannabinol, the active ingredient of cannabis. The availability of a positron emission tomography (PET) radioligand would facilitate studies of the addictive and medicinal properties of compounds that bind to this receptor. Among the known classes of ligands for CB 1 receptors, the pyrazoles are attractive targets for radiopharmaceutical development because they are antagonists and are generally less lipophilic than the other classes. Methods: A convenient high-yield synthesis of N-(4-[ 18 F]fluorophenyl)-5-(4-bromophenyl)-1-(2,4-dichlorophenyl)- 1H-pyrazole-3-carboxamide (AM5144) was devised by coupling the appropriate pyrazole-3-carboxyl chloride compound with 4-[ 18 F]fluoroaniline. The labeled precursor was synthesized from 1-[ 18 F]fluoro-4-nitrobenzene in 60% radiochemical yield for 10 min using an improved procedure involving sodium borohydride reduction with cobalt chloride catalysis. The product was purified by HPLC to give a specific activity >400 mCi/μmol and a radiochemical purity >95%, and a PET study was conducted in a baboon. Results: Although the regional uptake of AM5144 in baboon brain was consistent with binding to cannabinoid CB 1 receptors, absolute uptake at 1 receptor ligands is not surprising because of their high lipophilicity as compared with most brain PET radiotracers. However, for nine pyrazole compounds for which rodent data are available, brain uptake and calculated logP values are not correlated. Thus, high logP values should not preclude evaluation of radiotracers for targets such as the CB 1 receptor that may require very lipophilic ligands

  20. A study on MR signal intensity of calcifications according to calcium concentration and compound

    International Nuclear Information System (INIS)

    Chang, Sun Ae; Kim, Jae Hyoung; Chung, Sung Hoon

    1996-01-01

    The signal of intracranial calcification on magnetic resonance (MR) imaging has been known to be variable. The purpose of this study was to evaluate the MR signal of calcifications according to calcium concentration and compound. T1-weighted, proton density and T2-weighted images were obtained in phantoms with various conposition of calcium carbonate and calcium phosphate. The signal intensities and T1/T2 relaxation times were measured and analyzed according to calcium concentration and compound. The configurations of calcium particles were evaluated by scanning electron microscopy. The signal intensity of calcium carbonate on T1-weighted images gradually decreased as the concentration increased, while that of calcium phosphate showed a biphasic curve with a peak intensity at 0.2g/ml. The signal intensity of both calcium phosphate decreased up to 0.2g/ml and then remained constant. The T2 relaxation time of both calcium compounds decreased in a similar fashion with increasing concentration, Calcium phosphate showed larger surface area on scanning electron microscope. Calcifications show variable MR signal due to difference of T1 and T2 relaxation times according to calcium concentration and compound. Large surface area of calcium particle might cause shortening of T1 relaxation time leading to high signal on T1-weighted image. Understanding of these findings will help interpretation of MR images more precisely

  1. Fragmentation pathways and structural characterization of organophosphorus compounds related to the Chemical Weapons Convention by electron ionization and electrospray ionization tandem mass spectrometry.

    Science.gov (United States)

    Hosseini, Seyed Esmaeil; Saeidian, Hamid; Amozadeh, Ali; Naseri, Mohammad Taghi; Babri, Mehran

    2016-12-30

    For unambiguous identification of Chemical Weapons Convention (CWC)-related chemicals in environmental samples, the availability of mass spectra, interpretation skills and rapid microsynthesis of suspected chemicals are essential requirements. For the first time, the electron ionization single quadrupole and electrospray ionization tandem mass spectra of a series of O-alkyl N-[bis(dimethylamino)methylidene]-P-methylphosphonamidates (Scheme 1, cpd 4) were studied for CWC verification purposes. O-Alkyl N-[bis(dimethylamino)methylidene]-P-methylphosphonamidates were prepared through a microsynthetic method and were analyzed using electron ionization and electrospray ionization mass spectrometry with gas and liquid chromatography, respectively, as MS-inlet systems. General EI and ESI fragmentation pathways were proposed and discussed, and collision-induced dissociation studies of the protonated derivatives of these compounds were performed to confirm proposed fragment ion structures by analyzing mass spectra of deuterated analogs. Mass spectrometric studies revealed some interesting fragmentation pathways during the ionization process, such as McLafferty rearrangement, hydrogen rearrangement and a previously unknown intramolecular electrophilic aromatic substitution reaction. The EI and ESI fragmentation routes of the synthesized compounds 4 were investigated with the aim of detecting and identifying CWC-related chemicals during on-site inspection and/or off-site analysis and toxic chemical destruction monitoring. Copyright © 2016 John Wiley & Sons, Ltd. Copyright © 2016 John Wiley & Sons, Ltd.

  2. Anomalous thermodynamic behaviour of novel compounds: inelastic neutron scattering and lattice dynamics studies

    International Nuclear Information System (INIS)

    Mittal, R.

    2014-01-01

    The understanding of the thermodynamic properties of solids has important applications in diverse areas like condensed matter physics, materials science, mineralogy, geophysics, etc. We have been extensively investigating anomalous thermodynamic properties of compounds using the techniques of inelastic neutron scattering and lattice dynamics. We would present some of the results from our recent studies. Studies of materials exhibiting anomalous thermal expansion are of interest due to their fundamental scientific importance and potential applications in ceramic, optical and electronic industry etc. We have studied the thermodynamic properties of negative thermal expansion (NTE) compounds ZrW 2 O 8 , HfW 2 O 8 , ZrMo 2 O 8 , ZrV 2 O 7 , HfV 2 O 7 , Zn(CN) 2 , Cu 2 O, Ag 2 O, Ag 3 Co(CN) 6 and Ag 3 Fe(CN) 6 . Our calculations predicted that large softening of the phonon spectrum involving librational and translational modes below 10 MeV would be responsible for anomalous thermal expansion behaviour. High pressure inelastic neutron scattering experiments carried by us on cubic ZrW 2 O 8 , ZrMo 2 O 8 and Zn(CN) 2 confirmed the phonon softening. Our studies indicate that unusual phonon softening of low energy modes is able to account for the thermal expansion behaviour in these compounds. Superionic conduction in fluorite-structured (anti-fluorite, Li 2 O) oxides (MO 2 , M= U, Th) have applications in energy storage, conversion and nuclear industry. The possible role of phonon in initiation of diffusion has been studied in Li 2 O. We found that in the superionic regime lithium atoms may exhibit macroscopic movement along (100) direction. The microscopic modeling or simulation is found to play a pivotal role in understanding the conduction processes at high temperatures in Li 2 O. We have also studied zircon structured compounds MSiO 4 (M=Zr, Hf, Th, U), RPO 4 , (R=rare earth atom). The compounds are known to transform to the scheelite (body centered tetragonal, I4 1 /a

  3. Green Production of Indolylquinones, Derivatives of Perezone, and Related Molecules, Promising Antineoplastic Compounds

    Directory of Open Access Journals (Sweden)

    René Gerardo Escobedo-González

    2016-01-01

    Full Text Available A green approach to produce the indolyl derivatives from four natural quinones (perezone, isoperezone, menadione, and plumbagin was performed; in this regard, a comparative study was accomplished among the typical mantle heating and three nonconventional activating modes of reaction (microwave, near-infrared, and high speed ball milling or tribochemical, under solventless conditions and using bentonitic clay as a catalyst. In addition, the tribochemical production of isoperezone from perezone is also commented on. It is also worth noting that the cytotoxicity of the synthesized indolylquinones in human breast cancer cell was tested by 3-(4,5-dimethylthiazol-2-yl-2,5-diphenyltetrazolium bromide assay, with the 3-indolylisoperezone being the most active. The structural attribution of the target molecules was performed by typical spectroscopic procedures; moreover, the experimental and computed 1H and 13C NMR chemical shifts data, with previous acquisition of the corresponding minimum energetic structures, were in good agreement.

  4. Dynamics of growth/mature-related substances in vegetables using specific triple labelled compound

    International Nuclear Information System (INIS)

    Imada, Shigeo; Yamato, Yoichi; Hamano, Megumi; Yamazaki, Hiroko; Miura, Hiroyuki

    1999-01-01

    Dynamics and metabolism of sugar in tomato fruit was studied. The fruit was used after 20 days from anthesis. 14 C-fructose (46.1 KBq/one fruit) was injected into fruit through peduncle. Then samples were kept at 20degC. After the constant time, the sample was divided into fruit and peduncle. Each part was extracted by ethanol and 14 C was counted by a liquid scintillation counter. When 14 C-fructose was introduced into fruit, sucrose was strayed for a short time and decreased gradually by degradation. Fructose transferred to sucrose after 5 min, and almost fructose were lost for 5 hours. In the peduncle, sucrose was synthesized from fructose after 0.5 hour. (S.Y.)

  5. Study of cyclization of chelating compounds using electrospray ionization mass spectrometry

    International Nuclear Information System (INIS)

    Shi Ying; Campbell, J.A.

    2000-01-01

    Electrospray ionization mass spectrometry (ESI-MS) was used for the study of cyclization of organic chelating compounds (chelators). Four chelating compounds were studied: Symmetrical ethylenediaminediacetic acid (s-EDDA), Unsymmetrical ethylenediaminediacetic acid (u-EDDA), N-(2-hydroxyethyl) ethylenediaminetriacetic acid (HEDTA), and N-(2-hydroxyethyl)iminodiacetic acid (HEIDA). The chelators were cyclized with treatments of acids and heating. The open and cyclized form of the chelators were semi-quantified by both positive and negative ion modes ESI-MS. The kinetics of chelator cyclization was studied as a function of reaction temperature and the pH of the matrix. The cyclization of s-EDDA was found to be a pseudo-first order reaction in s-EDDA and overall second order. The cyclizations of HEIDA and HEDTA are reversible reactions. Higher temperature and lower pH favors cyclization. (author)

  6. Structural, electronic, optical and thermodynamic properties of cubic REGa{sub 3} (RE = Sc or Lu) compounds: Ab initio study

    Energy Technology Data Exchange (ETDEWEB)

    Murtaza, G., E-mail: murtaza@icp.edu.pk [Materials Modeling Laboratory, Department of Physics, Islamia College Peshawar (Pakistan); Gupta, S.K. [Department of Physics, Michigan Technological University, Houghton, MI 49931 (United States); Seddik, T. [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique et de Modélisation Mathématique, Université de Mascara, 29000 Mascara (Algeria); Alahmed, Z.A. [Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451 (Saudi Arabia); Ahmed, R. [Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor (Malaysia); Khachai, H. [Physics Department, Djillali Liabes University of Sidi Bel-Abbes (Algeria); Jha, P.K. [Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar 364001 (India); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, Riyadh 11451 (Saudi Arabia)

    2014-06-01

    Highlights: • REGa{sub 3} (RE = Sc or Lu) compounds are mechanical stabile. • Both ScGa{sub 3} and LuGa{sub 3} exhibit metallic behavior just like other REGa{sub 3} compounds. • Melting temperature T{sub m} (K) for ScGa{sub 3} and LuGa{sub 3} are 1244.2 and 1143.8. • High absorption observed in the visible energy region. • The present study would be helpful for future experimental/theoretical explorations. - Abstract: Structural, elastic, optoelectronic and thermodynamic properties of REGa{sub 3} (RE = Sc and Lu) compounds have been studied self consistently by employing state of the art full potential (FP) linearized (L) approach of augmented plane wave (APW) plus local orbitals method. Calculations were executed at the level of Perdew–Burke and Ernzerhof (PBE) parameterized generalized gradient approximation (GGA) for exchange correlation functional in addition to modified Becke–Johnson (mBJ) potential. Our obtained results of lattice parameters show reasonable agreement to the previously reported experimental and other theoretical studies. Analysis of the calculated band structure of ScGa{sub 3} and LuGa{sub 3} compounds demonstrates their metallic character. Moreover, a positive value of calculated Cauchy pressure, in addition to reflecting their ductile nature, endorses their metallic character as well. To understand optical behavior calculations related to the important optical parameters; real and imaginary parts of the dielectric function, reflectivity R(ω), refractive index n(ω) and electron energy-loss function L(ω) have also been performed. In the present work, thermodynamically properties are also investigated by employing lattice vibrations integrated in quasi harmonic Debye model. Obtained results of volume, heat capacity and Debye temperature as a function of temperature for both compounds, at different values of pressure, are found to be consistent. The calculated value of melting temperature for both compounds (ScGa{sub 3} and Lu

  7. Electroantennographic responses of New World screwworm to components of swormlure-4 and related compounds

    International Nuclear Information System (INIS)

    Cork, A.

    1992-01-01

    Electroantennographic (EAG) responses from New World screwworm flies were recorded as dose-response curves to the components of swormlure and to isobutyric acid, butanol, 1-hexanol, 1-octen-3-o1, 3-propylphenol and 3-methylindole. Among the swormlure components, good responses were obtained to valeric acid, phenol 4-methylphenol and indole. Only weaker responses were obtained to the butyl alcohols, dimethyldisulphide, acetic, butyric and benzoic acids. A strong response was obtained to 1-octen-3-o1, and the response to 3-methylindole was greater than that to indole. Responses of male and female flies were generally similar, except for those to dimethylsulphide and 4-methylphenol where responses fo males were greater than those of females. These studies indicate that EAG linked to gas chromatography should be a useful technique for detection of the biologically-active components in naturally-derived, volatile attractants, and suggest 1-octen-3-o1 and 3- methylindole should be tested for behavioural effects on NWS. 7 figs

  8. Organolanthanoid compounds

    International Nuclear Information System (INIS)

    Schumann, H.

    1984-01-01

    Up to little more than a decade ago organolanthanoid compounds were still a curiosity. Apart from the description of an isolated number of cyclopentadienyl and indenyl derivatives, very few significant contributions had been made to this interesting sector of organometallic chemistry. However, subsequent systematic studies using modern preparative and analytical techniques, together with X-ray single crystal structure determinations, enabled the isolation and characterization of a large number of very interesting homoleptic and heteroleptic compounds in which the lanthanoid is bound to hydrogen, to substituted or unsubstituted cyclopentadienyl groups, to allyl or alkynyl groups, or even to phosphorus ylides, trimethylsilyl, and carbonylmetal groups. These compounds, which are all extremely sensitive to oxygen and water, open up new possibilities in the field of catalysis and have great potential in organic synthesis - as recent studies with pentamethylcyclopentadienyl derivatives, organolanthanoid(II) compounds, and hexamethyllanthanoid complexes have already shown. (orig.) [de

  9. Positron lifetimes and distributions in the infinite-layer compound SrCuO2 and related materials

    International Nuclear Information System (INIS)

    Ishibashi, Shoji; Terada, Norio; Hirabayashi, Masayuki; Ihara, Hideo

    1994-01-01

    We have calculated distributions and lifetimes of positrons in the infinite-layer compound SrCuO 2 and those trapped at possible point defects therein. In the delocalized state, positrons show their density maxima at interstitial sites in the Sr planes and have a significant overlap also with Cu and O atoms. The corresponding positron lifetime is 149 ps. It has been revealed that the Sr vacancy strongly localizes positrons with the binding energy of 2.8 eV and the lifetime of 238 ps, while the O vacancy does not trap positrons. Calculations are also performed on related materials Sr 2 Cu 4 O 6 and Sr 4 Cu 6 O 10 , which are characterized by one-dimensional networks of edge-sharing CuO 4 squares. Positrons are predominantly distributed between these networks in these materials and their corresponding lifetimes are 170-171 ps. (orig.)

  10. Mutagenic activities of a chlorination by-product of butamifos, its structural isomer, and their related compounds.

    Science.gov (United States)

    Kamoshita, Masahiro; Kosaka, Koji; Endo, Osamu; Asami, Mari; Aizawa, Takako

    2010-01-01

    The mutagenic activities of 5-methyl-2-nitrophenol (5M2NP), a chlorination by-product of butamifos, its structural isomer 2-methyl-5-nitrophenol (2M5NP), and related compounds were evaluated by the Ames assay. The mutagenic activities of 5M2NP and 2M5NP were negative or not particularly high. However, those of their chlorinated derivatives were increased in Salmonella typhimurium strain TA100 and the overproducer strains YG1026, and YG1029 in the absence and/or presence of a rat liver metabolic activation system (S9 mix), particularly for YG1029. The mutagenic activities of 6-chloro-2-methyl-5-nitrophenol (6C2M5NP) in YG1029 in the absence and presence of S9 mix were 70000 and 110000 revertants mg(-1), respectively. When nitro functions of 6C2M5NP and 4-chloro-5-methyl-2-nitrophenol (4C5M2NP) were reduced to amino functions, their mutagenic activities were markedly decreased. The mutagenic activities of 5M2NP and 4C5M2NP were lower than those of 2M5NP and 6C2M5NP, respectively. Thus, it was shown that substituent position is a key factor for the mutagenic activities of methylnitrophenols (MNPs) and related compounds. The mutagenic activities of the extracts of 2M5NP in chlorination increased early during the reaction time and then decreased. The main chlorination by-product contributing to the mutagenic activities of the extracts of 2M5NP in chlorination was 6C2M5NP. The results of chlorination of 2M5NP suggested that MNPs were present as their dichlorinated derivatives or further chlorination by-products in drinking water. Copyright 2009 Elsevier Ltd. All rights reserved.

  11. Crystallographic study of the intermediate compounds SbZn, Sb3Zn4 and Sb2Zn3

    International Nuclear Information System (INIS)

    Adjadj, Fouzia; Belbacha, El-djemai; Bouharkat, Malek; Kerboub, Abdellah

    2006-01-01

    The processes of development of semiconductor ceramics made up of bismuth, antimony and zinc often require during their preparation to know the nature of the involved phases. For that, it is always essential to refer to the diagrams of balance between phases of the binary systems or ternary. We presented in this work the study by X-rays diffraction relating to the intermediate compounds SbZn, Sb 3 Zn 4 and Sb 2 Zn 3 . The analysis by X-rays is often useful to give supplement the results of the other experimental methods

  12. Phase study in Sr-Th-P-O system: Structural and thermal investigations of quaternary compounds

    International Nuclear Information System (INIS)

    Keskar, Meera; Phatak, Rohan; Sali, S.K.; Krishnan, K.; Dahale, N.D.; Kulkarni, N.K.; Kannan, S.

    2011-01-01

    The sub-solidus phase relations in Sr-Th-P-O quaternary system were determined at 1223 K in air. To confirm the formation and stability of reported phases, ternary and quaternary compounds in Sr-Th-O, Sr-P-O, Th-P-O and Sr-Th-P-O systems were synthesized by solid state reactions of SrCO 3 , ThO 2 and NH 4 H 2 PO 4 in desired molar proportions at 1223 K. A pseudo-ternary phase diagram of SrO-ThO 2 -P 2 O 5 system was drawn on the basis of the phase analysis of various phase mixtures and phase fields were established by powder X-ray diffraction. In the phase diagram, three quaternary compounds SrTh(PO 4 ) 2 , SrTh 4 (PO 4 ) 6 and Sr 7 Th(PO 4 ) 6 were identified. When heated in air at 1673 K, these compounds decompose to ThO 2 . Structures of SrTh(PO 4 ) 2 , SrTh 4 (PO 4 ) 6 and Sr 7 Th(PO 4 ) 6 were derived from X-ray powder data using the Rietveld refinement method. Thermal expansion behaviors of SrTh(PO 4 ) 2 , SrTh 4 (PO 4 ) 6 and Sr 7 Th(PO 4 ) 6 were investigated using high-temperature X-ray diffraction in the temperature range of 298-1273 K.

  13. Study of kinetics and mechanism of diazo compound reactions using nuclear chemical polarization

    International Nuclear Information System (INIS)

    Gragerov, I.P.; Levit, A.F.; Kiprianova, L.A.; Buchachenko, A.L.; Sterleva, T.G.

    1975-01-01

    It has been established that at the rate-determining steps of the radical reactions in which aniline interacts with isoamyl nitrite and substituted diazo salts interact with sodium methylate, tertiary fatty amines, or phosphinic acid, no transfer of a single electron occurs. The processes of single electron transfer do not seem to play a decisive role in the kinetics of most transformations of diazo compounds. Chemical nuclear polarization is shown to be suitable for kinetic studies of fast radical processes

  14. Disorder-induced amorphization of intermetallic compounds: A molecular dynamics study

    Energy Technology Data Exchange (ETDEWEB)

    Massobrio, C. (Ecole Polytechnique Federale, Lausanne (Switzerland). Inst. de Physique Experimentale); Pontikis, V.; Doan, N.V.; Martin, G. (CEA Centre d' Etudes Nucleaires de Saclay, 91 - Gif-sur-Yvette (France). Dept. de Physique des Particules Elementaires)

    The reaction of the crystalline compound NiZr{sub 2} to imposed chemical disorder has been studied by molecular dynamics in the isobaric canonical ensemble. The cohesive energy used is inspired by the second moment apporoximation of the local density of states in the tight binding model. Imposed chemical disorder induced swelling (3% for full disorder, 1% for 10% disorder). Above 10% disorder, the crystalline structure athermally collapses to an amorphous state which retains much of the local chemical order. (orig.).

  15. Disorder-induced amorphization of intermetallic compounds: A molecular dynamics study

    International Nuclear Information System (INIS)

    Massobrio, C.; Pontikis, V.; Doan, N.V.; Martin, G.

    1991-01-01

    The reaction of the crystalline compound NiZr 2 to imposed chemical disorder has been studied by molecular dynamics in the isobaric canonical ensemble. The cohesive energy used is inspired by the second moment apporoximation of the local density of states in the tight binding model. Imposed chemical disorder induced swelling (3% for full disorder, 1% for 10% disorder). Above 10% disorder, the crystalline structure athermally collapses to an amorphous state which retains much of the local chemical order. (orig.)

  16. Fundamental studies on dynamic wear behavior of SBR rubber compounds modified by SBR rubber powder

    OpenAIRE

    Euchler, Eric; Heinrich, Gert; Michael, Hannes; Gehde, Michael; Stocek, Radek; Kratina, Ondrej; Kipscholl, Reinhold; Bunzel, Jörg-Michael; Saal, Wolfgang

    2016-01-01

    The aim of this study is focused on the experimental investigation of dynamic wear behavior of carbon black filled rubber compounds comprising pristine styrene butadiene rubber (SBR) together with incorporated SBR ground rubber (rubber powder). We also analyzed and described quantitatively the service conditions of some dynamically loaded rubber products, which are liable to wear (e.g. conveyor belts, tires). Beside the well-known standard test method to characterize wear resistance at steady...

  17. Studies in cross-linking PVC footwear soling compounds using gamma-irradiation

    International Nuclear Information System (INIS)

    Bloom, L.I.

    1983-01-01

    Irradiation cross-linking of polymeric materials has been known for some time, but it is only in recent years that it has been put to commercial advantage. Well known uses are the modification of PVC for higher temperature applications. Fundamental studies were carried out on amongst other materials, plasticised PVC compounds for use in cable applications. The results of this work, encouraged the author to investigate cross-linkable PVC in areas such as footwear soling

  18. Sanskrit Compound Processor

    Science.gov (United States)

    Kumar, Anil; Mittal, Vipul; Kulkarni, Amba

    Sanskrit is very rich in compound formation. Typically a compound does not code the relation between its components explicitly. To understand the meaning of a compound, it is necessary to identify its components, discover the relations between them and finally generate a paraphrase of the compound. In this paper, we discuss the automatic segmentation and type identification of a compound using simple statistics that results from the manually annotated data.

  19. Crystallographic, DFT and docking (cathepsin B) studies on an organotellurium(IV) compound

    International Nuclear Information System (INIS)

    Caracelli, Ignez; Maganhi, Stella H.; Zukerman-Schpector, Julio; Sousa Madureira, Lucas; Stefani, Helio A.; Guadagnin, Rafael C.; Tiekink, Edward R.T.

    2016-01-01

    Some biologically active organotellurium compounds exhibit inhibitory potency against cathepsin B. In this study, an alkyl derivative, viz. [CH 3 (CH 2 ) 2 C(I)=C(H)](nBu)TeI 2 , 1, has been structurally characterised by X-ray crystallography and shown to be coordinated within a C 2 I 2 donor set. When the stereochemically active lone pair of electrons is taken into account, a distorted trigonal bipyramidal geometry results with the iodide atoms in axial positions. Both intra- and inter-molecular Te..I interactions are also noted. If all interactions are considered, the coordination geometry is based on a Ψ-pentagonal bipyramidal geometry. An unusual feature of the structure is the curving of the functionalised C 5 chain. This feature has been explored by DFT methods and shown to arise as a result of close C-H..I interactions. A docking study (cathepsin B) was performed to understand the inhibition mechanism and to compare the new results with previous observations. Notably, 1 has the same pose exhibited by analogous biologically active compounds with aryl groups. Thus, the present study suggests that (alkyl) 2 TeX 2 compounds should also be evaluated for biological activity.

  20. Crystallographic, DFT and docking (cathepsin B) studies on an organotellurium(IV) compound

    Energy Technology Data Exchange (ETDEWEB)

    Caracelli, Ignez; Maganhi, Stella H. [Univ. Federal de Sao Carlos (Brazil). BioMat; Zukerman-Schpector, Julio; Sousa Madureira, Lucas [Univ. Federal de Sao Carlos (Brazil). Lab. de Cristalografia, Estereodinamica e Modelagem Molecular; Stefani, Helio A. [Sao Paulo Univ. (Brazil). Dept. de Farmacia; Guadagnin, Rafael C. [Univ. Federal de Sao Paulo, Diadema (Brazil). Inst. e Ciencias Mabientais, Quimicas e Farmaceuticas; Tiekink, Edward R.T. [Sunway Univ., Selangor Darul Ehsan (Malaysia). Centre for Crystalline Materials

    2016-08-01

    Some biologically active organotellurium compounds exhibit inhibitory potency against cathepsin B. In this study, an alkyl derivative, viz. [CH{sub 3}(CH{sub 2}){sub 2}C(I)=C(H)](nBu)TeI{sub 2}, 1, has been structurally characterised by X-ray crystallography and shown to be coordinated within a C{sub 2}I{sub 2} donor set. When the stereochemically active lone pair of electrons is taken into account, a distorted trigonal bipyramidal geometry results with the iodide atoms in axial positions. Both intra- and inter-molecular Te..I interactions are also noted. If all interactions are considered, the coordination geometry is based on a Ψ-pentagonal bipyramidal geometry. An unusual feature of the structure is the curving of the functionalised C{sub 5} chain. This feature has been explored by DFT methods and shown to arise as a result of close C-H..I interactions. A docking study (cathepsin B) was performed to understand the inhibition mechanism and to compare the new results with previous observations. Notably, 1 has the same pose exhibited by analogous biologically active compounds with aryl groups. Thus, the present study suggests that (alkyl){sub 2}TeX{sub 2} compounds should also be evaluated for biological activity.

  1. Genome-wide fitness test and mechanism-of-action studies of inhibitory compounds in Candida albicans.

    Directory of Open Access Journals (Sweden)

    Deming Xu

    2007-06-01

    Full Text Available Candida albicans is a prevalent fungal pathogen amongst the immunocompromised population, causing both superficial and life-threatening infections. Since C. albicans is diploid, classical transmission genetics can not be performed to study specific aspects of its biology and pathogenesis. Here, we exploit the diploid status of C. albicans by constructing a library of 2,868 heterozygous deletion mutants and screening this collection using 35 known or novel compounds to survey chemically induced haploinsufficiency in the pathogen. In this reverse genetic assay termed the fitness test, genes related to the mechanism of action of the probe compounds are clearly identified, supporting their functional roles and genetic interactions. In this report, chemical-genetic relationships are provided for multiple FDA-approved antifungal drugs (fluconazole, voriconazole, caspofungin, 5-fluorocytosine, and amphotericin B as well as additional compounds targeting ergosterol, fatty acid and sphingolipid biosynthesis, microtubules, actin, secretion, rRNA processing, translation, glycosylation, and protein folding mechanisms. We also demonstrate how chemically induced haploinsufficiency profiles can be used to identify the mechanism of action of novel antifungal agents, thereby illustrating the potential utility of this approach to antifungal drug discovery.

  2. Contact and fumigant toxicity of Armoracia rusticana essential oil, allyl isothiocyanate and related compounds to Dermatophagoides farinae.

    Science.gov (United States)

    Yun, Yeon-Kyeong; Kim, Hyun-Kyung; Kim, Jun-Ran; Hwang, Kumnara; Ahn, Young-Joon

    2012-05-01

    The toxicity to adult Dermatophagoides farinae of allyl isothiocyanate identified in horseradish, Armoracia rusticana, oil and another 27 organic isothiocyanates was evaluated using contact + fumigant and vapour-phase mortality bioassays. Results were compared with those of two conventional acaricides, benzyl benzoate and dibutyl phthalate. Horseradish oil (24 h LC(50), 1.54 µg cm(-2)) and allyl isothiocyanate (2.52 µg cm(-2)) were highly toxic. Benzyl isothiocyanate (LC(50) , 0.62 µg cm(-2)) was the most toxic compound, followed by 4-chlorophenyl, 3-bromophenyl, 3,5-bis(trifluoromethyl)phenyl, cyclohexyl, 2-chlorophenyl, 4-bromophenyl and 2-bromophenyl isothiocyanates (0.93-1.41 µg cm(-2)). All were more effective than either benzyl benzoate (LC(50) , 4.58 µg cm(-2)) or dibutyl phthalate (24.49 µg cm(-2)). The structure-activity relationship indicates that types of functional group and chemical structure appear to play a role in determining the isothiocyanate toxicities to adult D. farinae. In the vapour-phase mortality bioassay, these isothiocyanates were consistently more toxic in closed versus open containers, indicating that their mode of delivery was, in part, a result of vapour action. In the light of global efforts to reduce the level of highly toxic synthetic acaricides in indoor environments, the horseradish oil-derived compounds and the isothiocyanates described herein merit further study as potential acaricides for the control of house dust mite populations as fumigants with contact action. Copyright © 2011 Society of Chemical Industry.

  3. Study of the relationship between chemical structure and antimicrobial activity in a series of hydrazine-based coordination compounds.

    Science.gov (United States)

    Dobrova, B N; Dimoglo, A S; Chumakov, Y M

    2000-08-01

    The dependence of antimicrobial activity on the structure of compounds is studied in a series of compounds based on hydrazine coordinated with ions of Cu(II), Ni(II) and Pd(II). The study has been carried out by means of the original electron-topological method developed earlier. A molecular fragment has been found that is only characteristic of biologically active compounds. Its spatial and electron parameters have been used for the quantitative assessment of the activity in view. The results obtained can be used for the antimicrobial activity prediction in a series of compounds with similar structures.

  4. Electrochemical studies, in-situ and ex-situ characterizations of different manganese compounds electrodeposited in aerated solutions

    International Nuclear Information System (INIS)

    Peulon, S.; Lacroix, A.; Chausse, A.; Larabi-Gruet, N.

    2007-01-01

    This work deals with the electrodeposition of manganese compounds. A systematic study of the synthesis experimental conditions has been carried out, and the obtained depositions have been characterized by different ex-situ analyses methods (XRD, FTIR, SEM). The in-situ measurements of mass increase with a quartz microbalance during the syntheses have allowed to estimate the growth mechanisms which are in agreement with the ex-situ characterizations. The cation has an important role in the nature of the electrodeposited compounds. In presence of sodium, a mixed lamellar compound Mn(III)/Mn(IV), the birnessite, is deposited, whereas in presence of potassium, bixbyite is formed (Mn 2 O 3 ), these two compounds having a main role in the environment. The substrate can also influence the nature of the formed intermediary compounds. Little studied compounds such as feitkneichtite (β-MnOOH) and groutite (α-MnOOH) have been revealed. (O.M.)

  5. Phytochemical study of phenolic compounds of labrador tea (Lédum palústre L.

    Directory of Open Access Journals (Sweden)

    Валентина Петровна Гапоненко

    2015-11-01

    Full Text Available Aim. This work is devoted a phytochemical study of biologically active substances in herb of Labrador Tea (Lédum palústre L., as well as investigation of the possibility of complex use of raw materials in order to create on its basis new herbal medicines.Methods. The object of the study served as the herb Labrador Tea. Separation of isolated substances was performed by adsorption and partition chromatography on various adsorbents. The structure of the isolated compounds was determined based on physicochemical methods: paper (PC and the thin layer (TLC chromatography, UV, IR and NMR spectroscopy in comparison with the original valid standards of flavonoids. Acid hydrolys was used for the determination of the flavonoid aglycone composition. The content of total flavonoids was determined by differential spectrophotometry at a wavelength of 412 nm from the reaction with aluminum chloride based on the hyperoside-standard (Ukrainian scientific Pharmacopoeial center for quality of medicines (Pharmacopoeial center, Kharkоv.Results. During this study we found more than 40 of phenolic compounds and identified 31compounds. The phytochemical analysis showed the presence of flavonols (11 compounds, catechins (5. Hydroxycinnamic acids represented by caffeic, ferulic, chlorogenic acids. Besides that, it were found phenolic glycoside arbutin, coumarins - coumarin, umbelliferon, scopoletin, esculetin and esculin, tannins – metyl gallate, pyrogallol.Conclusions. The following biologically active substances were defined for the first time: flavonoids – 5-methyl-kaempferol, avicularin, polistahozid, quercitrin; coumarins – esculetin, esculin; as well as hydroxycinnamic acids – ferulic, chlorogenic, neochlorogenic of Labrador Tea. The obtained data justify the prospectivefor creation of new and effective herbal medicines from Labrador Tea

  6. Systematic study of the lattice dynamics of the uranium rocksalt-structure compounds

    International Nuclear Information System (INIS)

    Jackman, J.A.; Holden, T.M.; Buyers, W.J.L.; DuPlessis, P. de V.; Vogt, O.; Genossar, J.

    1986-01-01

    The phonon-dispersion relations of USe and UTe have been determined by the inelastic scattering of thermal neutrons. All existing phonon measurements for the UX series, viz., UC, UN, UAs, USb, US, USe, and UTe, have been fitted to the rigid-ion and shell models and dispersion relations have been predicted for UP. The U-X force constants dominate the lattice dynamics and are nearly constant for the series, whereas the U-U force constants vary systematically from being large and positive for the compounds with the smallest lattice parameter to being negative for the chalcogenide series. The negative U-U force constant is identified with destabilizing f-d interactions. Elastic constants, derived from the slopes of the dispersion relations and from ultrasound velocity measurements, have been determined. The bulk modulus decreases unusually rapidly as the lattice parameter increases and is in fair agreement with band-structure calculations

  7. (CaFeAs){sub 10}Pt{sub z}As{sub 8} superconductors and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Stuerzer, Tobias

    2015-04-13

    The main topic of this dissertation is the identification of new compounds, structure determination, and substitution dependent investigation of properties in this new branch of the family of iron arsenide superconductors (Chapter 2). Chapter 2.1 presents the identification of the superconducting compounds and the corresponding structure elucidation identifying two dif-ferent species (CaFeAs){sub 10}Pt{sub 3}As{sub 8} and (CaFeAs){sub 10}Pt{sub 4}As{sub 8} in this family (abbreviated as 1038 and 1048 according to their stoichiometry). However, a closer look revealed a more challenging structure chemistry which is covered in Chapter 2.2. The following two Chapters 2.3 and 2.4 are devoted to (CaFeAs){sub 10}Pt{sub 3}As{sub 8} and more detailed investigations on this parent compound of the new superconductor family. Furthermore, transition metal substitution series (CaFe{sub 1-x}M{sub x}As){sub 10}Pt{sub 3}As{sub 8} were synthesized to investigate the resemblance to model systems Ba(Fe{sub 1-x}M{sub x}){sub 2}As{sub x} and LaO(Fe{sub 1-x}M{sub x})As in the scope of structural changes and superconductivity as described in Chapter 2.5. Initially amazing differences in superconducting properties com-paring 1038 and 1048 compounds are analyzed in Chapter 2.6 establishing an universal dop-ing model in the (CaFe{sub 1-x}M{sub x}As){sub 10}Pt{sub z}As{sub 8} family. Additionally substituent dependent properties upon rare earth substitution in electron doped (Ca{sub 1-y}RE{sub y}FeAs){sub 10}Pt{sub 3}As{sub 8} are investigated in Chapter 2.7, while a detailed study of superconducting properties and magnetism in (Ca{sub 1-y}La{sub y}FeAs){sub 10}Pt{sub 3}As{sub 8} by the local μSR technique is presented in Chapter 2.8. In Chapter 2.9 a comparison of direct and electron doping is discussed based on codoping experiments in (Ca{sub 1-y}La{sub y}Fe{sub 1-x}Pt{sub x}As){sub 10}Pt{sub 3}As{sub 8} and (CaFe{sub 1-x}Pt{sub x}As){sub 10}Pt{sub 4}As{sub 8}. Finally, in Chapter 2

  8. Synthesis and photodegradation studies of analogues of muscle relaxant 1,4-dihydropyridine compounds

    Directory of Open Access Journals (Sweden)

    Gündüz Miyase Gözde

    2017-09-01

    Full Text Available This paper describes the synthesis of 1,4-dihydropyridine compounds (DHPs endowed with good muscle relaxant activity and stability to light. Six new condensed DHPs were synthesized by the microwave irradiation method. A long-chain ester moiety [2-(methacryloyloxyethyl] and various substituents on the phenyl ring were demonstrated to affect the muscle relaxant activity occurring in isolated rabbit gastric fundus smooth muscle strips. Forced photodegradation conditions were applied to the molecules according to the ICH rules. The degradation profile of the drugs was monitored by spectrophotometry coupled with the multivariate curve resolution technique. Formation of the oxidized pyridine derivative was observed for all the studied DHPs, except for one compound, which showed very fast degradation and formation of a second photo-product. Pharmacological tests on the molecules showed a good muscle relaxing effect, with a mechanism similar to that of nifedipine, however, proving to be more stable to light.

  9. Study of Reaction of Curium Oxy-Compound Formation in Molten Chlorides

    Energy Technology Data Exchange (ETDEWEB)

    Osipenko, A.G.; Mayorshin, A.A.; Bychkov, A.V. [Dimitrovgrad-10, Ulyanovsk region, 433510 (Russian Federation)

    2008-07-01

    The method of potentiometric titration using oxygen sensors with solid electrolyte membrane was applied for the study of the interaction of curium cations with oxygen anions in the molten alkali metal chlorides in the temperature range of 450-850 C degrees depending on oxy-acidity of the environment. Assumptions were made concerning ion and phase composition of the obtained high-temperature compounds and chemical reactions taking place in the melts. This scheme assumes that as the basicity of the melt increases, initially the formation of soluble curium oxychlorides takes place in the melt (presumably CmO{sup -}) that is followed by formation of solid CmOCl and finally sesquioxide Cm{sub 2}O{sub 3}. Basic thermodynamic values were calculated for the resultant curium oxy-compounds.

  10. Experimental transmission electron microscopy studies and phenomenological model of bismuth-based superconducting compounds

    International Nuclear Information System (INIS)

    Elboussiri, Khalid

    1991-01-01

    The main part of this thesis is devoted to an experimental study by transmission electron microscopy of the different phases of the superconducting bismuth cuprates Bi_2Sr_2Ca_n_-_1Cu_nO_2_n_+_4. In high resolution electron microscopy, the two types of incommensurate modulation realized in these compounds have been observed. A model of structure has been proposed from which the simulated images obtained are consistent with observations. The medium resolution images correlated with the electron diffraction data have revealed existence of a multi-soliton regime with latent lock in phases of commensurate periods between 4b and 10b. At last, a description of different phases of these compounds as a result of superstructures from a disordered perovskite type structure is proposed (author) [fr

  11. A numerical study of the complex flow structure in a compound meandering channel

    Science.gov (United States)

    Moncho-Esteve, Ignacio J.; García-Villalba, Manuel; Muto, Yasu; Shiono, Koji; Palau-Salvador, Guillermo

    2018-06-01

    In this study, we report large eddy simulations of turbulent flow in a periodic compound meandering channel for three different depth conditions: one in-bank and two overbank conditions. The flow configuration corresponds to the experiments of Shiono and Muto (1998). The predicted mean streamwise velocities, mean secondary motions, velocity fluctuations, turbulent kinetic energy as well as mean flood flow angle to meandering channel are in good agreement with the experimental measurements. We have analyzed the flow structure as a function of the inundation level, with particular emphasis on the development of the secondary motions due to the interaction between the main channel and the floodplain flow. Bed shear stresses have been also estimated in the simulations. Floodplain flow has a significant impact on the flow structure leading to significantly different bed shear stress patterns within the main meandering channel. The implications of these results for natural compound meandering channels are also discussed.

  12. Model compounds of humic acid and oxovanadium cations. Potentiometric titration and EPR spectroscopy studies

    Directory of Open Access Journals (Sweden)

    Mercê Ana Lucia Ramalho

    1999-01-01

    Full Text Available The stability constants and the isotropic EPR parameters Ao (hyperfine splitting constant and g o (g value were obtained by potentiometric titrations and EPR spectroscopy, respectively, of 85%v/v aqueous solutions of model compounds of humic acids - salicylic acid (SALA - and both nitrohumic acids, a laboratory artifact - nitrosalicylic acids, 3-nitrosalicylic acid (3-NSA, 5-nitrosalicylic acid (5-NSA and 3,5-dinitrosalicylic acid (3,5-DNSA and oxovanadium cations. It was possible to record EPR spectra of those model compounds and the ion VO2+ (V(IV, and the stability constants were obtained from a solution of VO3+ (V(V, the values for the logarithms of the stability constants ranging from 12.77 ± 0.04 to 7.06 ± 0.05 for the species ML, and from 9.90 ±0.04 to 4.06 ± 0.05 for the species ML2 according to the decrease in the acidity of the carboxylic and the hydroxyl groups in the aromatic ring of the model compounds studied as the -NO2 substituents were added. Species distribution diagrams were also obtained for the equilibria studied. The EPR parameters showed that as the logarithm of the overall stability constants increase, g o values also increase, while Ao values show a tendency to decrease.

  13. Human Elimination of Phthalate Compounds: Blood, Urine, and Sweat (BUS) Study

    Science.gov (United States)

    Genuis, Stephen J.; Beesoon, Sanjay; Lobo, Rebecca A.; Birkholz, Detlef

    2012-01-01

    Background. Individual members of the phthalate family of chemical compounds are components of innumerable everyday consumer products, resulting in a high exposure scenario for some individuals and population groups. Multiple epidemiological studies have demonstrated statistically significant exposure-disease relationships involving phthalates and toxicological studies have shown estrogenic effects in vitro. Data is lacking in the medical literature, however, on effective means to facilitate phthalate excretion. Methods. Blood, urine, and sweat were collected from 20 individuals (10 healthy participants and 10 participants with assorted health problems) and analyzed for parent phthalate compounds as well as phthalate metabolites using high performance liquid chromatography-tandem mass spectrometry. Results. Some parent phthalates as well as their metabolites were excreted into sweat. All patients had MEHP (mono(2-ethylhexyl) phthalate) in their blood, sweat, and urine samples, suggesting widespread phthalate exposure. In several individuals, DEHP (di (2-ethylhexl) phthalate) was found in sweat but not in serum, suggesting the possibility of phthalate retention and bioaccumulation. On average, MEHP concentration in sweat was more than twice as high as urine levels. Conclusions. Induced perspiration may be useful to facilitate elimination of some potentially toxic phthalate compounds including DEHP and MEHP. Sweat analysis may be helpful in establishing the existence of accrued DEHP in the human body. PMID:23213291

  14. Synthesis, Characterization and Biological Studies of New Phenyltin(IV) Dithiocarbamate Compounds

    International Nuclear Information System (INIS)

    Amirah Faizah Abdul Muthalib; Ibrahim Baba; Nazlina Ibrahim

    2015-01-01

    Nine chlorophenyl tin(IV) dithiocarbamate compounds of general formula PhSnCl[S 2 CNR ' R '' ] 2 (R ' = CH 3 , C 2 H 5 , C 7 H 7 and R ' = C 2 H 5 , C 6 H 11 , iC 3 H 7 , C 7 H 7 ) were prepared in one pot reaction of various secondary amine, carbon disulphide and phenyltin(1V) trichloride with the ratio of 2:2:1. These compounds have been characterized by elemental analysis, infrared spectroscopy, ultraviolet spectroscopy, 1 H, 13 C NMR spectroscopy as well as single crystal X-ray crystallography. Data from X-ray crystallography showed that (C 6 H 5 )SnCl[S 2 CN(C 2 H 5 )(iC 3 H 7 )] 2 is six coordinated bonded with two chelating dithiocarbamate ligands in bidentate fashion, methyl-C and chloride atom thus form a distorted octahedral geometry. Five selected compounds, (C 6 H 5 )SnCl[S 2 CN(CH 3 )(C 2 H 5 )] 2 , (C 6 H 5 )SnCl[S 2 CN(CH 3 )(C 6 H 11 )] 2 , (C 6 H 5 )SnCl[S 2 CN(C 2 H 5 )(iC 3 H 7 )] 2 , (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 )(iC 3 H 7 )] 2 and (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 ) 2 ] 2 were screened for anticancer activity against Chang liver cells. These compounds were demonstrated no cytotoxic effect for all concentrations under the condition of the study with no IC 50 value. The minimum inhibitory concentration (MIC) and maximum bactericidal concentration (MBC) determinations for these five compounds used Escherichia coli and Pseudomonas aeruginosa as Gram negative bacteria together with Staphylococcus aureus and Staphylococcus epidermis as Gram positive bacteria. Compound (C 6 H 5 )SnCl[S 2 CN(CH 3 )(C 2 H 5 )] 2 was the most active compared to the other compounds by having the lowest MIC values of 1.25 mg/ mL and MBC value of 5.0 mg/ mL against E. Coli and S. Aureus bacteria. Compounds (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 )(iC 3 H 7 )] 2 and (C 6 H 5 )SnCl[S 2 CN(C 7 H 7 ) 2 ] 2 that having a benzyl group showed their MIC and MBC values slightly higher compared to the other compounds againts certain bacteria indicating their low

  15. Phase 0: goal study for the technical and economic evaluation of the Compound Parabolic Concentrator (CPC) concept applied to solar thermal and photovoltaic collectors. Final report

    Energy Technology Data Exchange (ETDEWEB)

    None

    1975-06-01

    This report presents the results of a quick, six-week technical and economic evaluation of the compound parabolic concentrator (CPC) solar collector. The purpose of this effort was to provide an initial phase of a goals study that is directed toward recommending relative priorities for development of the compound parabolic concentrator concept. The findings of this study are of a very preliminary nature. Conclusions based on study findings at this depth should be considered preliminary and subject to revision and review in later phases.

  16. Solid-state ionics: Studies of lithium-conducting sulfide glasses and a superconducting oxide compound

    International Nuclear Information System (INIS)

    Ahn, Byung Tae.

    1989-01-01

    The first part of this work studies lithium-conducting sulfide glasses for battery applications, while the second part studies the thermodynamic properties of a superconducting oxide compound by using an oxide electrolyte. Lithium conducting glasses based on the SiS 2 -Li 2 S system are possible solid electrolytes for high-energy-density lithium batteries. The foremost requirement for solid electrolytes is that they should have high ionic conductivities. Unfortunately, most crystalline lithium conductors have low ionic conductivities at room temperature. However, glass ionic conductors show higher ionic conductivities than do crystalline forms of the same material. In addition to higher ionic conductivities, glasses appear to have several advantages over crystalline materials. These advantages include isotropic conductivity, absence of grain boundary effects, ease of glass forming, and the potential for a wide range of stability to oxidizing and reducing conditions. Using pyrolitic graphite-coated quartz ampoules, new ternary compounds and glasses in the SiS 2 -Li 2 S system were prepared. Several techniques were used to characterize the materials: powder x-ray diffraction, differential thermal analysis, differential scanning calorimetry, and AC impedance spectroscopy. The measured lithium conductivity of the sulfide glasses was one of the highest among the known solid lithium conductors. Measuring the equilibrium open circuit voltages assisted in determining the electrochemical stabilities of the ternary compounds and glasses with respect to pure Li. A solid-state ionic technique called oxygen coulometric titration was used to measure the thermodynamic stability, the oxygen stoichiometry, and the effects of the oxygen stoichiometry, and the effects of the oxygen stoichiometry and the cooling rate on superconductivity of the YBa 2 Cu 3 O 7-x compound were investigated

  17. Effect of chemical degradation on fluxes of reactive compounds – a study with a stochastic Lagrangian transport model

    Directory of Open Access Journals (Sweden)

    J. Rinne

    2012-06-01

    Full Text Available In the analyses of VOC fluxes measured above plant canopies, one usually assumes the flux above canopy to equal the exchange at the surface. Thus one assumes the chemical degradation to be much slower than the turbulent transport. We used a stochastic Lagrangian transport model in which the chemical degradation was described as first order decay in order to study the effect of the chemical degradation on above canopy fluxes of chemically reactive species. With the model we explored the sensitivity of the ratio of the above canopy flux to the surface emission on several parameters such as chemical lifetime of the compound, friction velocity, stability, and canopy density. Our results show that friction velocity and chemical lifetime affected the loss during transport the most. The canopy density had a significant effect if the chemically reactive compound was emitted from the forest floor. We used the results of the simulations together with oxidant data measured during HUMPPA-COPEC-2010 campaign at a Scots pine site to estimate the effect of the chemistry on fluxes of three typical biogenic VOCs, isoprene, α-pinene, and β-caryophyllene. Of these, the chemical degradation had a major effect on the fluxes of the most reactive species β-caryophyllene, while the fluxes of α-pinene were affected during nighttime. For these two compounds representing the mono- and sesquiterpenes groups, the effect of chemical degradation had also a significant diurnal cycle with the highest chemical loss at night. The different day and night time loss terms need to be accounted for, when measured fluxes of reactive compounds are used to reveal relations between primary emission and environmental parameters.

  18. Eicosanoids and Related Compounds in Plants and Animals (Edited by A. F. Rowley, H. Kuhn, and T. Schewe)

    Science.gov (United States)

    Minderhout, Reviewed By Vicky

    2000-04-01

    I was intrigued with the title Eicosanoids and Related Compounds in Plants and Animals because of my interest in eicosanoid biochemistry and the fact that most biochemistry texts cover the mammalian component (briefly) but include nothing on plants or other eukaryotic systems. How do eicosanoids function in plants? I wanted to know. The driving force for this book was the session specifically devoted to Non-Mammalian Eicosanoids at each of the 8th, 9th, and 10th International Conferences on Prostaglandins and Related Compounds. This collection probably represents one of the first attempts to gather a broad cross-section of the work in this field. The editors do not wish to repeat material available in key reviews elsewhere. Instead, they provide a useful bibliography, including books, review articles and important works for further reading. Each chapter incorporates an extensive list of references and the book includes a subject index. The editors, judging by the numbers of recent publications, are active researchers in this field. The book is divided into two sections. The first covers the enzymes and factors involved in the biosynthesis of eicosanoids. There is an introductory chapter on pathways, which includes both animal and plant systems. The next five chapters examine the diversity and evolutionary aspects of several proteins: cyclooxygenases; lipooxygenases, both mammalian and plant; and 5-lipooxygenase-activating-protein. This section concludes with a chapter covering the production of oxygenated fatty acid derivatives that are produced by or are active in fungi, as broadly defined. The second section of the book covers the functional aspects of eicosanoids and related compounds. Two chapters dealing with lipoxygenases in plants are followed by three chapters on eicosanoids in invertebrates, amphibians, and fish. The second section was of the most interest to me personally because I was able find answers to my initial question. How do these eicosanoids

  19. Pharmaceutical compounds in shallow groundwater in non-agricultural areas of Minnesota: study design, methods, and data, 2013

    Science.gov (United States)

    Elliott, Sarah M.; Erickson, Melinda L.

    2014-01-01

    The U.S. Geological Survey, in cooperation with the Minnesota Pollution Control Agency, completed a study on the occurrence of pharmaceutical compounds and other contaminants of emerging concern in shallow groundwater in non-agricultural areas of Minnesota during 2013. This report describes the study design and methods for the study on the occurrence of pharmaceuticals and other contaminants of emerging concern, and presents the data collected on pharmaceutical compounds. Samples were analyzed by the U.S. Geological Survey National Water Quality Laboratory for 110 pharmaceutical compounds using research method 9017. Samples from 21 of 45 wells had detectable concentrations of at least one of the 110 compounds analyzed. One sample contained detectable concentrations of nine compounds, which was the most detected in a single sample. Fewer than five compounds were detected in most samples. Among all samples, 27 of the 110 compounds were detected in groundwater from at least one well. Desmethyldiltiazem and nicotine were the most frequently detected compounds, each detected in 5 of 46 environmental samples (one well was sampled twice so a total of 46 environmental samples were collected from 45 wells). Caffeine had the highest detectable concentration of all the compounds at 2,060 nanograms per liter.

  20. Distribution of Rotundone and Possible Translocation of Related Compounds Amongst Grapevine Tissues in Vitis vinifera L. cv. Shiraz

    Science.gov (United States)

    Zhang, Pangzhen; Fuentes, Sigfredo; Wang, Yueying; Deng, Rui; Krstic, Mark; Herderich, Markus; Barlow, Edward W. R.; Howell, Kate

    2016-01-01

    Rotundone is an attractive wine aroma compound, especially important for cool climate Shiraz. Its presence in wine is mainly from the grape skin, but can also be found in non-grape tissues, such as leaves and stems. Whether rotundone is produced independently within different grapevine tissues or transported amongst non-grape tissues and grape berries remains unclear. The current study investigated the distribution of this compound in different vine tissues during development and studied the most likely mode of rotundone translocation—via phloem—using stable isotope feeding. In addition, local production of rotundone induced by herbivore feeding was assessed. Results showed that rotundone was firstly detected in the petioles and peduncles/rachises within the development of Vitis vinifera L. cv. Shiraz. Different grapevine tissues had a similar pattern of rotundone production at different grape developmental stages. In the individual vine shoots, non-grape tissues contained higher concentrations and amounts of rotundone compared to berries, which showed that non-grape tissues were the larger pool of rotundone within the plant. This study confirmed the local production of rotundone in individual tissues and ruled out the possibility of phloem translocation of rotundone between different tissues. In addition, other terpenes, including one monoterpenoid (geraniol) and six sesquiterpenes (clovene, α-ylangene, β-copaene, α-muurolene, δ-cadinene, and cis/trans-calamenene) were, for the first time, detected in the ethylenediaminetetraacetic acid-facilitated petiole phloem exudates, with their originality unconfirmed. Unlike other herbivore-induced terpenes, herbivorous activity had limited influences on the concentration of rotundone in grapevine leaves. PMID:27446104

  1. A nuclear magnetic resonance and electron spin resonance study on the dynamics of pentacoordinated organophosphorus compounds

    International Nuclear Information System (INIS)

    Keijzer, A.E.H. de.

    1988-01-01

    In this thesis the role of the steric and electronic effects on the fundamental dynamic behaviour of pentacoordinated phosporus compounds is further elaborated. In chapter 2 a variable temperature 13 C NMR study, performed on a series of monocyclic oxyphosphoranes, is presented. The investigations were carried out to determine the influence of the conformational transmission effect on the barriers to pseudorotation in pentacoordinated phosphorus compounds. Chapter 3 also comprises a variable temperature 13 C NMR study on pentacoordinated phosphorus compounds. In this chapter, however, an additional high-resolution 1 H NMR study on the conformational equilibria around the P-O-C-C-O fragments is included. These studies were performed in order to determine whether the enhancement of the reorganization rates around phosphorus is brought about by accelerated pseudorotation or by the involvement of hexacoordinated zwitterionic phosphorus intermediates. In chapter 4, a 31 P NMR study on the solvolysis rate of several phosphinate esters is described. This study was performed in order to determine the influence of the conformational transmission effect on the solvolysis rate of phosphate esters. A number of phosphates is examined in which, during the course of the solvolysis reaction, the conformational transmission effect is bound to be present or absent respectively. Moreover, it is discussed in which way the concept of conformational transmission induced differences in solvolysis rates can be used as a probe to examine the reactions of biologically important phosphate esters. In chapters 5 and 6 ESR studies on the influence of steric and electronic factors on phosphoranyl formation in solution, and on the intramolecular electron transfer in phosphoranyl radicals are presented. (author). 121 refs.; 33 figs.; 17 figs

  2. Theoretical study of quaternary compounds as thin-film solar cell absorber

    International Nuclear Information System (INIS)

    Su, Huai Wei

    2010-01-01

    Full text : Design of chalcogenide photovoltaic absorbers is carried out systematically through sequential cation mutation, from binary to ternary to quaternary compounds, using first-principles electronic structure calculations. Several universal trends are found for the ternary and two classes of quaternary chalcogenides. For example, the lowest-energy structure always has larger lattice constant a, smaller tetragonal distortion parameter η=c/2a, and larger band gap than the metastable structures for common-row cation mutations. The band gap is reduced during the mutation. The band gap decreases from binary II-VI to ternary I-III-VI 2 are mostly due to the p-d repulsion in the valence band, the decreases from ternary I-III-VI 2 to quaternary I 2 -II-IV-VI 4 chalcogenides are due to the downshift in the conduction band caused by the wavefunction localization on the group IV cation site. It was found that I 2 -II-IV-VI 4 compounds are more stable in the kesterite structure, whereas the widely-assumed stannite structure reported in the literature is most likely due to partial disorder in the I-II layer of the kesterite phase. Among the derived quaternary compounds, Cu 2 ZnSnS 4 (CZTS) is one of the ideal candidate absorber materials for thin-film solar cells with an optimal band gap, high absorption coefficient, abundant elemental components, and is adaptable to various growth techniques. It was performed a series of first-principles electronic structure calculations for CZTS. Also it was found that in the ground state kesterite structure, (i) the chemical potential region that CZTS can form is very small. Therefore, it will be very difficult to obtain high quality stoichiometric CZTS samples; (ii) The dominant p-type acceptor in CZTS is CuZn, however, the associated acceptor level is relatively high, suggesting that p-type doping in CZTS is more difficult than ternary compounds such as CuInSe 2 ; (iii) The formation of the self-compensated defect pair [Cu

  3. Studies on in vitro biostability and blood compatibility of polyurethane potting compound based on aromatic polymeric MDI for extracorporeal devices.

    Science.gov (United States)

    Hridya, V K; Jayabalan, M

    2009-12-01

    Polyurethane potting compound based on aromatic isocyanurate of polymeric MDI, poly propylene glycol (PPG400) and trimethylol propane (TMP) has significant favourable properties, good pot life and setting characteristics. The cured potting compound of this formulation has appreciable thermal stability and mechanical properties. In vitro biostability of cured potting compound has been found to be excellent without any significant degradation in simulated physiological media and chemical environment. Studies on blood-material interaction and cytotoxicity reveal in vitro blood compatibility and compatibility with cells of this potting compound.

  4. Applications of compound-specific carbon isotope ratios in organic contaminant studies

    International Nuclear Information System (INIS)

    Aravena, R.; Hunkeler, D.; Bloom, Y.; Frape, S.K.; Butler, B.; Edwards, E.; Cox, E.

    1999-01-01

    In this paper results are presented on the application of compound-specific isotope ratios measurements to assess biodegradation of chlorinated solvents, in particularly on microbial dechlorination of tetrachloroethene (PCE) and trichloroethene (TCE). Analytical aspects and isotope data from laboratory and field studies are discussed. The analytical tests showed that both headspace and SPME techniques provide accurate δ 13 C values with a similar precision for a wide range of chlorinated solvents. However, the SPME method is generally more sensitive. The microcosm experiments show that a significant isotopic fractionation occurs during dechlorination of PCE and TCE to ethene. The largest fractionation factors are observed in the steps DCE-VC and VC-Ethene. In general, the δ 13 C of each dechlorination product was always more negative than the δ 13 C of the corresponding precursor. In addition, the δ 13 C values of each compound increased with time. A similar pattern was observed for dechlorination of PCE at a field site. These results show that compound-specific carbon isotope ratios technology is a very sensitive tool for evaluation of natural attenuation of chlorinated solvents in groundwater. (author)

  5. Effect of aromatic compounds on radiation resistance of polymers studied by optical emission

    International Nuclear Information System (INIS)

    Kawanishi, Shunichi; Hagiwara, Miyuki

    1987-10-01

    To clarify the effects of condensed bromoacenaphthylene (con-BACN) as a newly developed flame retardant on the radiation resistance of ethylene-propylene-diene-terpolymer (EPDM), optical emission behavior of aromatic compounds, acenaphthylene and acenaphthene as model compound of con-BACN was studied. The energy absorbed in polymer matrix is transferred to the aromatic molecules very fast within 1 ns, and introduces excited states of aromatic compound. The fluorescence from naphthalene units of the additives with peak at 337 and 350 nm (named AT emission band) was observed in EPDM containing acenaphthene or acenaphthylene. When aromatic peroxide was used as a crosslinking agent, another emission band (Xn band) was observed at 400 nm. It was found that these emission bands play a role in trapping sites in which a part of radiation energy release in the form of fluorescence. The energy level of the excited state was correlated to the radiation stability measured with coloration and oxidation reaction of the polymer. Furthermore, acenaphthylene having a reactive vinyl bond forms excimer emission band Ex whose level is lower than those of AT and Xn bands, and therefore, enhances radiation stability of matrix polymer by giving effective routes for energy release. (author)

  6. Experimental and computational studies of film cooling with compound angle injection

    Energy Technology Data Exchange (ETDEWEB)

    Goldstein, R.J.; Eckert, E.R.G.; Patankar, S.V. [Univ. of Minnesota, Minneapolis, MN (United States)] [and others

    1995-10-01

    The thermal efficiency of gas turbine systems depends largely on the turbine inlet temperature. Recent decades have seen a steady rise in the inlet temperature and a resulting reduction in fuel consumption. At the same time, it has been necessary to employ intensive cooling of the hot components. Among various cooling methods, film cooling has become a standard method for cooling of the turbine airfoils and combustion chamber walls. The University of Minnesota program is a combined experimental and computational study of various film-cooling configurations. Whereas a large number of parameters influence film cooling processes, this research focuses on compound angle injection through a single row and through two rows of holes. Later work will investigate the values of contoured hole designs. An appreciation of the advantages of compound angle injection has risen recently with the demand for more effective cooling and with improved understanding of the flow; this project should continue to further this understanding. Approaches being applied include: (1) a new measurement system that extends the mass/heat transfer analogy to obtain both local film cooling and local mass (heat) transfer results in a single system, (2) direct measurement of three-dimensional turbulent transport in a highly-disturbed flow, (3) the use of compound angle and shaped holes to optimize film cooling performance, and (4) an exploration of anisotropy corrections to turbulence modeling of film cooling jets.

  7. A study of shielding properties of x-ray and gamma in barium compounds

    Energy Technology Data Exchange (ETDEWEB)

    Seenappa, L.; Manjunatha, H. C. [Dept. of of Physics, Government College for women, Karnataka (India); Chandrika, B. M. [PC Extension, St. Annes School, Karnataka (India); Chikka, Hanumantharayappa [Vivekananda Degree College, Karnataka (India)

    2017-03-15

    Ionizing radiation is known to be harmful to human health. The shielding of ionizing radiation depends on the attenuation which can be achieved by three main rules, i.e. time, distance and absorbing material. The mass attenuation coefficient, linear attenuation coefficient, Half Value Layer (HVL) and Tenth Value Layer (TVL) of X-rays (32 keV, 74 keV) and gamma rays (662 keV) are measured in Barium compounds. The measured values agree well with the theory. The effective atomic numbers (Z{sub eff}) and electron density (Ne) of Barium compounds have been computed in the wide energy region 1 keV to 100 GeV using an accurate database of photon-interaction cross sections and the WinXCom program. The mass attenuation coefficient and linear attenuation coefficient for BaCO{sub 3} is higher than the BaCl{sub 2}, Ba(No{sub 3}){sub 2} and BaSO{sub 4}. HVL, TVL and mean free path are lower for BaCO{sub 3} than the BaCl{sub 2}, Ba(No{sub 3}){sub 2} and BaSO{sub 4}. Among the studied barium compounds, BaCO{sub 3} is best material for x-ray and gamma shielding.

  8. Study of internal exposure to uranium compounds in fuel fabrication plants in Brazil

    International Nuclear Information System (INIS)

    Santos, Maristela Souza

    2006-01-01

    The International Commission on Radiological Protection (ICRP) Publication 66 and Supporting Guidance 3) strongly recommends that specific information on lung retention parameters should be used in preference to default values wherever appropriate, for the derivation of effective doses and for bioassay interpretation of monitoring data. A group of 81 workers exposed to UO 2 at the fuel fabrication facility in Brazil was selected to evaluate the committed effective dose. The workers were monitored for determination of uranium content in the urinary and faecal excretion. The contribution of intakes by ingestion and inhalation were assessed on the basis of the ratios of urinary to fecal excretion. For the selected workers it was concluded that inhalation dominated intake. According to ICRP 66, uranium oxide is classified as insoluble Type S compound. The ICRP Supporting Guidance 3 and some recent studies have recommended specific lung retention parameters to UO 2 . The solubility parameters of the uranium oxide compound handled by the workers at the fuel fabrication facility in Brazil was evaluated on the basis of the ratios of urinary to fecal excretion. Excretion data were corrected for dietary intakes. This paper will discuss the application of lung retention parameters recommended by the ICRP models to these data and also the dependence of the effective committed dose on the lung retention parameters. It will also discuss the problems in the interpretation of monitoring results, when the worker is exposed to several uranium compounds of different solubilities. (author)

  9. Comparative Study of Ashwagandha and Commercial Synthetic Compound on Performance of Broilers during Hot Weather

    Directory of Open Access Journals (Sweden)

    J. M. Shisodiya

    Full Text Available The trial was conducted for a period of six weeks on 225 day old broiler chicks, uniformly distributed into four groups of 75 chicks in each T1, T2 and T3 group. The chicks were fed with standard starter mash which contained crude protein 22.84% and metabolizable energy 2852.5 Kcal / kg (calculated value up to three weeks of age. For next 3 weeks i.e. from 4 to 6 weeks of age with finisher mash which contained crude protein 20% and metabolizable energy 2966 Kcal / kg (calculated value. Group T1 received standard broiler diet. Group T2 and T3 received standard broiler diet supplemented with Ashwagandha and commercial synthetic compound @ 0.05 % of feed respectively. The experimental birds were reared on deep litter system and rice husk was used as litter material.The supplementation of Aswagandha and commercial synthetic compound recorded significant improvement in all studied growth parameter i.e. live body weights, weekly gain in body weights and feed conversion ratio was observed in all the supplemented groups over the control group. However, feed consumption in control group was significantly higher than supplemented group. The economic returns of supplemented groups are more than the unsupplemented group. The net profit per bird was maximum in the commercial synthetic compound supplemented group followed by Ashwagandha supplemented group and lowest was recorded in control group (T1. [Veterinary World 2008; 1(10.000: 310-311

  10. Inorganic elements and organic compounds degradation studies by gamma irradiation in used lubricating oils

    International Nuclear Information System (INIS)

    Scapin, Marcos Antonio

    2008-01-01

    The automotive lubricating oils have partial degradation of organic compounds and addition of undesirable inorganic elements, during its use. These substances classify the used lubricating oils as dangerous and highly toxic. According to global consensus, concerning the environmental conservation, the best is to perform a reuse treatment of these lubricating oils. For this purpose, the uses of an alternative and effective technology have been sought. In this work, the efficacy and technical feasibility of the advanced oxidation process (AOP), by gamma radiation, for used automotive lubricating oil treatment has been studied. Different quantities of hydrogen peroxide and water Milli-Q were added to oil samples. They were submitted to the Cobalt-60 irradiator, type Gammacell, with 100, 200 and 500 kGy absorbed doses. The inorganic analysis by X-ray fluorescence (WDXRF) showed inorganic elements removal, mainly to sulphur, calcium, iron and nickel elements at acceptable levels by environmental protection law for oils reusing. The gas chromatography (GC/MS) analysis showed that the advanced oxidation process promotes the organic compounds degradation. The main identified compounds were tridecane, 2-methyl-naphthalene, and trietilamina-tetramethyl urea, which have important industrial applications. The multivariate analysis, Cluster Analysis, showed that advanced oxidation process application is a viable and promising treatment for used lubricating oil reusing. (author)

  11. Inhibition and kinetic studies of cellulose- and hemicellulose-degrading enzymes of Ganoderma boninense by naturally occurring phenolic compounds.

    Science.gov (United States)

    Surendran, A; Siddiqui, Y; Ali, N S; Manickam, S

    2018-06-01

    Ganoderma sp, the causal pathogen of the basal stem rot (BSR) disease of oil palm, secretes extracellular hydrolytic enzymes. These play an important role in the pathogenesis of BSR by nourishing the pathogen through the digestion of cellulose and hemicellulose of the host tissue. Active suppression of hydrolytic enzymes secreted by Ganoderma boninense by various naturally occurring phenolic compounds and estimation of their efficacy on pathogen suppression is focused in this study. Ten naturally occurring phenolic compounds were assessed for their inhibitory effect on the hydrolytic enzymes of G. boninense. The enzyme kinetics (V max and K m ) and the stability of the hydrolytic enzymes were also characterized. The selected compounds had shown inhibitory effect at various concentrations. Two types of inhibitions namely uncompetitive and noncompetitive were observed in the presence of phenolic compounds. Among all the phenolic compounds tested, benzoic acid was the most effective compound suppressive to the growth and production of hydrolytic enzymes secreted by G. boninense. The phenolic compounds as inhibitory agents can be a better replacement for the metal ions which are known as conventional inhibitors till date. The three hydrolytic enzymes were stable in a wide range of pH and temperature. These findings highlight the efficacy of the applications of phenolic compounds to control Ganoderma. The study has proved a replacement for chemical controls of G. boninense with naturally occurring phenolic compounds. © 2018 The Society for Applied Microbiology.

  12. Maternal diet, prenatal exposure to dioxin-like compounds and birth outcomes in a European prospective mother–child study (NewGeneris)

    DEFF Research Database (Denmark)

    Papadopoulou, Eleni; Kogevinas, Manolis; Botsivali, Maria

    2014-01-01

    . A small non-significant reduction in gestational age was also observed (-1.4days, 95% CI: -3.8, 1.0days). Our results suggest that maternal diet might contribute to the exposure of the foetus to dioxins and dioxin-like compounds and may be related to reduced birth weight. More studies are needed...

  13. Radiochemical studies on the separation of iodine-131 and radioiodination of some organic compounds

    International Nuclear Information System (INIS)

    Mohamed, M.A.I.

    2010-01-01

    This thesis is constituted of three chapters:Chapter I: It deals with the theoretical consideration of the subject. The chapter deals with the importance of radioisotopes in medical applications, and the physical and biological properties of these isotopes. Also, this part deals with the chemical and physical properties of both tellurium and iodine and the methods of the production of radioiodine from tellurium targets especially dry distillation method and ion exchange method. It deals with general methods of labeling, chemistry of iodine especially the most frequently used in nuclear medicine, their methods of production and applications. It includes also the techniques used for the preparation of the radioiodinated compounds, especially the electrophilic technique or the oxidative radioiodination technique. In this technique, oxidizing agents are used to oxidize iodide ions to iodonium ions capable of electrophilic attack on the aryl group of the organic compound. This chapter deals also with the receptor tracers, their types and the effects that can occur due to the binding of these receptors to the cell membrane. Since these radiopharmaceuticals are used for diagnosis and therapeutic treatment of human diseases, quality control tests such as chemical purity, radionuclidic purity, radiochemical purity, sterility, apyrogenicity and biodistribution are performed to ensure the purity, the safety and efficiency of these products for the intended nuclear medicine application.Chapter II:It contains detailed information concerning the chemicals, reagents, the radionuclides, the equipment and the counting systems used in the study. It describes production technique of iodine-131 using dry distillation method. It describes also the electrophilic radioiodination for each of Y-indole and epidepride. Analysis of the labeled products was performed using two chromatographic techniques. The first technique is thin layer chromatography in which the compound was identified by

  14. Electronic structure studies of ferro-pnictide superconductors and their parent compounds using angle-resolved photoemission spectroscopy (ARPES)

    International Nuclear Information System (INIS)

    Setti, Thirupathaiah

    2011-01-01

    structure of the parent compounds Ba(Eu)Fe 2 As 2 (122) and their superconducting derivatives using ARPES. In this way it is possible to obtain the important information on the Fermi surface nesting conditions (between hole pockets at the Brillouin zone center and electron pockets at the zone corner) as a function of electron doping, hole doping, and isovalent substitution of P at the As site in Ba(Eu)Fe 2 As 2 . In particular, we studied in-plane and out-of-plane (with respect to the FeAs layer) band dispersions and Fermi surfaces. Our findings show that both electron and hole doping as well as isovalent substitution of the As atoms by P atoms in the parent compound Ba(Eu)Fe 2 As 2 reduces the nesting conditions which possibly leads to the disappearance of antiferromagnetic spin density wave order and to the emergence of superconductivity. Moreover, we have performed the photon energy dependent ARPES measurements along the zone center and the zone edge to reveal the dimensionality of the electronic structure as a function of doping. We observed that due to the rigid-band nature of the electronic structure upon charge doping into the parent 122 compounds, there is a transformation of the electronic structure from quasi-2D to more 3D upon electron doping and to a more 2D nature upon hole doping. Furthermore, we observe a non-rigid-type shift of the Fermi level upon isovalent substitution of P at the As site in EuFe 2 As 2 compound. We also performed ARPES measurements on FeTe(Se) superconductors where we observe a considerable difference in the electronic structure when compared to the 122 compounds, possibly related to a different crystal field splitting at the Fe atoms.

  15. Electronic structure studies of ferro-pnictide superconductors and their parent compounds using angle-resolved photoemission spectroscopy (ARPES)

    Energy Technology Data Exchange (ETDEWEB)

    Setti, Thirupathaiah

    2011-07-14

    studied the electronic structure of the parent compounds Ba(Eu)Fe{sub 2}As{sub 2} (122) and their superconducting derivatives using ARPES. In this way it is possible to obtain the important information on the Fermi surface nesting conditions (between hole pockets at the Brillouin zone center and electron pockets at the zone corner) as a function of electron doping, hole doping, and isovalent substitution of P at the As site in Ba(Eu)Fe{sub 2}As{sub 2}. In particular, we studied in-plane and out-of-plane (with respect to the FeAs layer) band dispersions and Fermi surfaces. Our findings show that both electron and hole doping as well as isovalent substitution of the As atoms by P atoms in the parent compound Ba(Eu)Fe{sub 2}As{sub 2} reduces the nesting conditions which possibly leads to the disappearance of antiferromagnetic spin density wave order and to the emergence of superconductivity. Moreover, we have performed the photon energy dependent ARPES measurements along the zone center and the zone edge to reveal the dimensionality of the electronic structure as a function of doping. We observed that due to the rigid-band nature of the electronic structure upon charge doping into the parent 122 compounds, there is a transformation of the electronic structure from quasi-2D to more 3D upon electron doping and to a more 2D nature upon hole doping. Furthermore, we observe a non-rigid-type shift of the Fermi level upon isovalent substitution of P at the As site in EuFe{sub 2}As{sub 2} compound. We also performed ARPES measurements on FeTe(Se) superconductors where we observe a considerable difference in the electronic structure when compared to the 122 compounds, possibly related to a different crystal field splitting at the Fe atoms.

  16. An experimental study of hafting adhesives and the implications for compound tool technology.

    Science.gov (United States)

    Zipkin, Andrew M; Wagner, Mark; McGrath, Kate; Brooks, Alison S; Lucas, Peter W

    2014-01-01

    Experimental studies of hafting adhesives and modifications to compound tool components can demonstrate the extent to which human ancestors understood and exploited material properties only formally defined by science within the last century. Discoveries of Stone Age hafting adhesives at archaeological sites in Europe, the Middle East, and Africa have spurred experiments that sought to replicate or create models of such adhesives. Most of these studies, however, have been actualistic in design, focusing on replicating ancient applications of adhesive technology. In contrast, this study tested several glues based on Acacia resin within a materials science framework to better understand the effect of each adhesive ingredient on compound tool durability. Using an overlap joint as a model for a compound tool, adhesives formulated with loading agents from a range of particle sizes and mineral compositions were tested for toughness on smooth and rough substrates. Our results indicated that overlap joint toughness is significantly increased by using a roughened joint surface. Contrary to some previous studies, there was no evidence that particle size diversity in a loading agent improved adhesive effectiveness. Generally, glues containing quartz or ochre loading agents in the silt and clay-sized particle class yielded the toughest overlap joints, with the effect of particle size found to be more significant for rough rather than smooth substrate joints. Additionally, no particular ochre mineral or mineral mixture was found to be a clearly superior loading agent. These two points taken together suggest that Paleolithic use of ochre-loaded adhesives and the criteria used to select ochres for this purpose may have been mediated by visual and symbolic considerations rather than purely functional concerns.

  17. Toxic effects on and structure-toxicity relationships of phenylpropanoids, terpenes, and related compounds in Aedes aegypti larvae.

    Science.gov (United States)

    Santos, Sandra R L; Silva, Viviane B; Melo, Manuela A; Barbosa, Juliana D F; Santos, Roseli L C; de Sousa, Damião P; Cavalcanti, Sócrates C H

    2010-12-01

    In the search for toxic compounds against Aedes aegypti L. (Diptera: Culicidae) larvae, a collection of commercially available aromatic and aliphatic diversely substituted compounds were selected and evaluated. p-Cymene exhibited the highest larvicidal potency LC₅₀ = 51 ppm, whereas 1,8-cineole exhibited the lowest activity value LC₅₀ = 1419 ppm. To aid future work on the search for larvicidal compounds, the structure-toxicity relationships of this collection have been evaluated. The presence of lipophilic groups results in an overall increase in potency. In general, the presence of hydroxyl groups resulted in less potent compounds. However, methylation of such hydroxyls led to an overall increase in potency. The most potent compounds showed comparably good larvicidal activity in A. aegypti larvae as other terpenes, which we assume to be the result of the increased lipophilicity.

  18. Study of heat insulated turbo compound engine. Shanetsugata tabo konpaundo engine to tomoni ayumu

    Energy Technology Data Exchange (ETDEWEB)

    Hirai, K [Isuzu Motors Ltd., Tokyo (Japan). Ceramics Research Lab.

    1994-02-01

    For a main purpose of development of the heat insulated turbo compound engine using the ceramics, the Isuzu Ceramics Inst. Co., Ltd. was established by the Isuzu Motors Ltd. in 1988. The main study subjects take up various topics such as a development of the new engine system for actualizing a low fuel consumption and low emission, an improvement of deteriorated combustion caused by the insulation, a development of energy recovery facility for utilizing effectively the exhaust energy from the engines, a development of power electronics technology for controlling the recovery facility, a study and development of ceramics as the insulation material and so forth. The outstanding characteristics of this institute are that a development of the heat insulated turbo compound engine is set as the main study subject, but at the same time that a commercialization of the various derivation technology derived from this study. Even just the main study subjects currently under way are counted up to a number close to 10 items, and consequently the efforts are being continued in each field assigned for solving the subjects. 6 figs.

  19. First-principles study of the nickel–silicon binary compounds under pressure

    Energy Technology Data Exchange (ETDEWEB)

    Zhao, Yuhong, E-mail: zyh388@sina.com [College of Materials Science and Engineering, North University of China, Taiyuan 030051 (China); Hou, Hua [College of Materials Science and Engineering, North University of China, Taiyuan 030051 (China); Zhao, Yuhui [Department of Mechanical and Electronic Engineering, Hebei College of Industry and Technology, Shijiazhuang 050091 (China); Han, Peide [College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan 030024 (China)

    2015-08-15

    Highlights: • The structural and elastic properties of Ni–Si system under pressure are firstly studied. • The lattice parameters of NiSi{sub 2} are the most sensitive to external pressure change. • Ni{sub 3}Si, Ni{sub 31}Si{sub 12}, Ni{sub 2}Si (δ) and Ni{sub 3}Si{sub 2} are mechanical stability with pressure up to 50 GPa. • The hardness of the four compounds can be improved by increasing pressure. • Electronic structures are analyzed to understand pressure effect on the seven compounds. - Abstract: The effects of high pressure on structural, stable, elastic, thermodynamic properties and electronic structures of Ni–Si binary compounds (i.e. β-Ni{sub 3}Si, γ-Ni{sub 31}Si{sub 12}, δ-Ni{sub 2}Si, θ-Ni{sub 2}Si, ε-Ni{sub 3}Si{sub 2}, ε-NiSi and α-NiSi{sub 2}) have been firstly studied by first-principles calculation based on density functional theory method within generalized gradient approximation. The calculated lattice parameters of the seven compounds at zero pressure and zero temperature agree well with the available experimental values and previous theoretical data. The values of V/V{sub 0} decrease with pressure going up to 50 GPa and the rate of change decrease gradually. The lattice parameters of NiSi{sub 2} are the most sensitive to external pressure change. Ni{sub 3}Si, Ni{sub 31}Si{sub 12}, Ni{sub 2}Si (δ) and Ni{sub 3}Si{sub 2} are mechanical stability by estimating stability criteria with pressure ranging from 0 to 50 GPa. But Ni{sub 2}Si (θ), NiSi and NiSi{sub 2} are not mechanically stable with pressure up to 10, 40 and 30 GPa, respectively. The calculated results of bulk modulus B, shear modulus G and Young’s modulus E illustrate pressure can improve the hardness of Ni{sub 3}Si, Ni{sub 31}Si{sub 12}, Ni{sub 2}Si (δ) and Ni{sub 3}Si{sub 2} compounds. In addition, ratio of shear modulus to bulk modulus G/B shows that all the considered compounds are ductile materials except NiSi. The Debye temperature Θ{sub D} of Ni{sub 3}Si

  20. Band structure of Heusler compounds studied by photoemission and tunneling spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Arbelo Jorge, Elena

    2011-07-01

    Heusler compounds are key materials for spintronic applications. They have attracted a lot of interest due to their half-metallic properties predicted by band structure calculations. The aim of this work is to evaluate experimentally the validity of the predictions of half metallicity by band structure calculations for two specific Heusler compounds, Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa. Two different spectroscopy methods for the analysis of the electronic properties were used: Angular Resolved Ultraviolet Photoemission Spectroscopy (ARUPS) and Tunneling Spectroscopy. Heusler compounds are prepared as thin films by RF-sputtering in an ultra high vacuum system. For the characterization of the samples, bulk and surface crystallographic and magnetic properties of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa are studied. X-ray and electron diffraction reveal a bulk and surface crossover between two different types of sublattice order (from B2 to L2{sub 1}) with increasing annealing temperature. X-ray magnetic circular dichroism results show that the magnetic properties in the surface and bulk are identical, although the magnetic moments obtained are 5 % below from the theoretically predicted. By ARUPS evidence for the validity of the predicted total bulk density of states (DOS) was demonstrated for both Heusler compounds. Additional ARUPS intensity contributions close to the Fermi energy indicates the presence of a specific surface DOS. Moreover, it is demonstrated that the crystallographic order, controlled by annealing, plays an important role on broadening effects of DOS features. Improving order resulted in better defined ARUPS features. Tunneling magnetoresistance measurements of Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} and Co{sub 2}MnGa based MTJ's result in a Co{sub 2}FeAl{sub 0.3}Si{sub 0.7} spin polarization of 44 %, which is the highest experimentally obtained value for this compound, although it is lower than the 100 % predicted. For Co

  1. Atmospheric emissions in metropolitan France: compounds related to the increase of the greenhouse effect; Substances relatives a l'accroissement de l'effet de serre

    Energy Technology Data Exchange (ETDEWEB)

    NONE

    2011-07-01

    This report presents and comments statistical data and indicators on emissions of compounds involved in the greenhouse effect: carbon dioxide (CO{sub 2}), methane (CH{sub 4}), nitrogen dioxide (NO{sub 2}), hydro-fluorocarbon compounds (HFCs), per-fluorocarbon compounds (PFCs), sulphur hexafluoride (SF{sub 6}). For these compounds, the report indicates and comments world and French emission data, their evolution, and the shares of different sectors and their evolutions. It also comments the evolution of the global warming potential (GWP)

  2. Fractal binding and dissociation kinetics of lecithin cholesterol acyl transferase (LCAT), a heart-related compound, on biosensor surfaces

    Science.gov (United States)

    Doke, Atul M.; Sadana, Ajit

    2006-05-01

    A fractal analysis is presented for the binding and dissociation of different heart-related compounds in solution to receptors immobilized on biosensor surfaces. The data analyzed include LCAT (lecithin cholesterol acyl transferase) concentrations in solution to egg-white apoA-I rHDL immobilized on a biosensor chip surface.1 Single- and dual- fractal models were employed to fit the data. Values of the binding and the dissociation rate coefficient(s), affinity values, and the fractal dimensions were obtained from the regression analysis provided by Corel Quattro Pro 8.0 (Corel Corporation Limited).2 The binding rate coefficients are quite sensitive to the degree of heterogeneity on the sensor chip surface. Predictive equations are developed for the binding rate coefficient as a function of the degree of heterogeneity present on the sensor chip surface and on the LCAT concentration in solution, and for the affinity as a function of the ratio of fractal dimensions present in the binding and the dissociation phases. The analysis presented provided physical insights into these analyte-receptor reactions occurring on different biosensor surfaces.

  3. Usefulness of High-Frequency Compound Spatial Sonography in the Assessment of Hepatitis B Virus Related Chronic Liver Disease

    International Nuclear Information System (INIS)

    Kim, Hyung Soo; Cha, Sang Hoon; Chung, Hwan Hoon; Lee, Ki Yeol; Kim, Baek Hyun; Kim, Kyung Ah; Kim, Yoon Hwan; Park, Cheol Min; Lee, Eung Seok; Byun, Kwan Soo

    2007-01-01

    To evaluate the liver parenchyma according to the echo patterns of CSS (compound spatial sonography), and to correlate them with the extent of hepatic fibrosis and the serum aminotransferase level. The CSS images were classified into the following three echo patterns: type I, a normal looking echo: type II, hyperechoic or hypoechoic nodules scattered in a normal-looking echo: type III, a severely heterogeneous echogenic or hypoechoic honeycomb-like echo. The CSS findings were correlated with the histopathology findings in 63 patients with HBV. The serum aminotransferase levels and the occurrence of acute exacerbation in 168 patients with HBV, with and without a progressed parenchymal echo pattern, and who were followed up more than 1-year period, were compared. The interobserver agreement between the two radiologists for assessing the parenchymal echo pattern was scored. The correlation between the CSS pattern and hepatic fibrosis was statistically significant (correlation coefficient = 0.58, p < 0.05). The baseline serum aminotransferase level was not significantly different between the patients with and without a progressed parenchymal echo pattern. However, the rate of acute exacerbation was higher in patients with a progressed parenchymal echo pattern (p < 0.05). The interobserver agreement was good (k statistic = 0.63, 0.78). The liver parenchymal pattern based on the 5-12 MHz CSS is a useful and objective tool for diagnosing and monitoring HBV related chronic liver disease

  4. Metabolite biodiversity in pepper (Capsicum) fruits of thirty-two diverse accessions : variation in health-related compounds and impliciations for breeding

    NARCIS (Netherlands)

    Wahyuni, Y.; Ballester, A.R.; Sudarmonowati, E.; Bino, R.J.; Bovy, A.G.

    2011-01-01

    A comprehensive study on morphology and biochemical compounds of 32 Capsicum spp. accessions has been performed. Accessions represented four pepper species, Capsicum annuum, Capsicum frutescens, Capsicum chinense and Capsicum baccatum which were selected by their variation in morphological

  5. Doping-assisted low-pressure photoionization mass spectrometry for the real-time detection of lung cancer-related volatile organic compounds.

    Science.gov (United States)

    Li, Zhen; Xu, Ce; Shu, Jinian; Yang, Bo; Zou, Yao

    2017-04-01

    Real-time detection of lung cancer-related volatile organic compounds (VOCs) is a promising, non-intrusive technique for lung cancer (LC) prescreening. In this study, a novel method was designed to enhance the detection selectivity and sensitivity of LC-related polar VOCs by dichloromethane (CH 2 Cl 2 ) doping-assisted low-pressure photoionization mass spectrometry (LPPI-MS). Compared with conventional LPPI-MS, CH 2 Cl 2 doping-assisted LPPI-MS boosted the peak intensities of n-propanol, n-pentanal, acetone, and butyl acetate in nitrogen specifically by 53, 18, 16, and 43 times, respectively. The signal intensities of their daughter ions were inhibited or reduced. At relative humidity (RH) of 20%, the sensitivities of n-propanol, n-pentanal, acetone, and butyl acetate detection ranged from 116 to 452 counts/ppbv with a detection time of 10s and R 2 >0.99 for the linear calibration curves. The method was also applicable under higher RH levels of 50% and 90%. Breath samples obtained from 10 volunteers and spiked samples were investigated. Eight-fold enhancements in the signal intensities of polar VOCs were observed in the normal and spiked samples. These preliminary results demonstrate the efficacy of the dichloromethane doping-assisted LPPI technique for the detection of LC-related polar VOCs. Further studies are indispensible to illustrating the detailed mechanism and applying the technique to breath diagnosis. Copyright © 2016 Elsevier B.V. All rights reserved.

  6. radiochemical studies on the binding of humic materials with toxic elements and compounds

    International Nuclear Information System (INIS)

    Afifi, D.M.I.

    2001-01-01

    industrial nations produce several billion tons of waste every year . this figure will increase as both population and industrial growth increase. there are many kinds of waste, including refinery waste, which consists of hydrocarbons, heavy metals, metal catalysts and caustic solution; dredge spoils, some of which are highly polluted and cntains substances potentially hazardous to human health or the marine ecosystem; chemical waste such as insecticides, pesticides, other complex chemicals and heavy metals; radioactive waste and agricultural waste, anmd most of them are extremely hazardous and harmful to the marine ecosystem and its inhabitants.the aim of this thesis is to study the binding of humic materials with toxic elements and compounds

  7. HPLC studies of aquatic humic compounds and complexes from the Drigg research site, Cumbria

    International Nuclear Information System (INIS)

    Smith, B.

    1992-01-01

    The work described in this report forms part of a multidisciplinary project, the broad objective of which is to study the ability of natural organic compounds present in groundwater to form mobile complexes with radionuclides. Other components of this work include the development of High Performance Liquid Chromatogaphic techniques (HPLC) to extract natural organic material from groundwater with minimal alteration, the separation of those organic fractions that complex with cations, and the development of geochemical speciation models to describe or predict metal binding. 17 Refs., 25 Figs., 4 Tabs

  8. Calculating Heat of Formation Values of Energetic Compounds: A Comparative Study

    Directory of Open Access Journals (Sweden)

    Michael S. Elioff

    2016-01-01

    Full Text Available Heat of formation is one of several important parameters used to assess the performance of energetic compounds. We evaluated the ability of six different methods to accurately calculate gas-phase heat of formation (ΔfH298,go values for a test set of 45 nitrogen-containing energetic compounds. Density functional theory coupled with the use of isodesmic or other balanced equations yielded calculated results in which 82% (37 of 45 of the ΔfH298,go values were within ±2.0 kcal/mol of the most recently recommended experimental/reference values available. This was compared to a procedure using density functional theory (DFT coupled with an atom and group contribution method in which 51% (23 of 45 of the ΔfH298,go values were within ±2.0 kcal/mol of these values. The T1 procedure and Benson’s group additivity method yielded results in which 51% (23 of 45 and 64% (23 of 36 of the ΔfH298,go values, respectively, were within ±2.0 kcal/mol of these values. We also compared two relatively new semiempirical approaches (PM7 and RM1 with regard to their ability to accurately calculate ΔfH298,go. Although semiempirical methods continue to improve, they were found to be less accurate than the other approaches for the test set used in this investigation.

  9. Ion channeling study of defects in compound crystals using Monte Carlo simulations

    Science.gov (United States)

    Turos, A.; Jozwik, P.; Nowicki, L.; Sathish, N.

    2014-08-01

    Ion channeling is a well-established technique for determination of structural properties of crystalline materials. Defect depth profiles have been usually determined basing on the two-beam model developed by Bøgh (1968) [1]. As long as the main research interest was focused on single element crystals it was considered as sufficiently accurate. New challenge emerged with growing technological importance of compound single crystals and epitaxial heterostructures. Overlap of partial spectra due to different sublattices and formation of complicated defect structures makes the two beam method hardly applicable. The solution is provided by Monte Carlo computer simulations. Our paper reviews principal aspects of this approach and the recent developments in the McChasy simulation code. The latter made it possible to distinguish between randomly displaced atoms (RDA) and extended defects (dislocations, loops, etc.). Hence, complex defect structures can be characterized by the relative content of these two components. The next refinement of the code consists of detailed parameterization of dislocations and dislocation loops. Defect profiles for variety of compound crystals (GaN, ZnO, SrTiO3) have been measured and evaluated using the McChasy code. Damage accumulation curves for RDA and extended defects revealed non monotonous defect buildup with some characteristic steps. Transition to each stage is governed by the different driving force. As shown by the complementary high resolution XRD measurements lattice strain plays here the crucial role and can be correlated with the concentration of extended defects.

  10. Increasing human Th17 differentiation through activation of orphan nuclear receptor retinoid acid-related orphan receptor γ (RORγ) by a class of aryl amide compounds.

    Science.gov (United States)

    Zhang, Wei; Zhang, Jing; Fang, Leiping; Zhou, Ling; Wang, Shuai; Xiang, Zhijun; Li, Yuan; Wisely, Bruce; Zhang, Guifeng; An, Gang; Wang, Yonghui; Leung, Stewart; Zhong, Zhong

    2012-10-01

    In a screen for small-molecule inhibitors of retinoid acid-related orphan receptor γ (RORγ), we fortuitously discovered that a class of aryl amide compounds behaved as functional activators of the interleukin 17 (IL-17) reporter in Jurkat cells. Three of these compounds were selected for further analysis and found to activate the IL-17 reporter with potencies of ∼0.1 μM measured by EC₅₀. These compounds were shown to directly bind to RORγ by circular dichroism-based thermal stability experiments. Furthermore, they can enhance an in vitro Th17 differentiation process in human primary T cells. As RORγ remains an orphan nuclear receptor, discovery of these aryl amide compounds as functional agonists will now provide pharmacological tools for us to dissect functions of RORγ and facilitate drug discovery efforts for immune-modulating therapies.

  11. The relation between lattice parameters of NaCl type U, Np and Pu compounds and their magnetic and binding properties

    International Nuclear Information System (INIS)

    Ohmichi, Toshihiko; Arai, Yasuo

    1992-01-01

    The lattice parameters of NaCl type uranium, neptunium and plutonium compounds are analyzed using Pauling equation. The numbers of bonding electrons and localized electrons of the compounds are calculated using the single bond radius by Pauling for metalloids and assumed ones for the actinides. The number of bonding electrons per unit bonding length can be correlated linearly with the uranium compounds. The number of localized electrons is found to have a speculative relation with magnetic properties, in particular magnetic moments in ordered state; excluding some compounds, the magnetic moments increase at a gradient of 45 degrees with increasing localized electrons in the range up to about 2.5 and then decrease to zero value roughly at a same gradient with increasing localized electrons. (author)

  12. Optimization of a Differential Ion Mobility Spectrometry-Tandem Mass Spectrometry Method for High-Throughput Analysis of Nicotine and Related Compounds: Application to Electronic Cigarette Refill Liquids.

    Science.gov (United States)

    Regueiro, Jorge; Giri, Anupam; Wenzl, Thomas

    2016-06-21

    Fast market penetration of electronic cigarettes is leading to an exponentially growing number of electronic refill liquids with different nicotine contents and an endless list of flavors. Therefore, rapid and simple methods allowing a fast screening of these products are necessary to detect harmful substances which can negatively impact the health of consumers. In this regard, the present work explores the capabilities of differential ion mobility spectrometry coupled to tandem mass spectrometry for high-throughput analysis of nicotine and 11 related compounds in commercial refill liquids for electronic cigarettes. The influence of main factors affecting the ion mobility separation, such as modifier types and concentration, separation voltage, and temperature, was systematically investigated. Despite small molecular weight differences among the studied compounds, a good separation was achieved in the ion mobility cell under the optimized conditions, which involved the use of ethanol as a polar gas-phase chemical modifier. Indeed, differential ion mobility was able to resolve (resolution >4) nicotine from its structural isomer anabasine without the use of any chromatographic separation. The quantitative performance of the proposed method was then evaluated, showing satisfactory precision (RSD ≤ 16%) and recoveries ranging from 85 to 100% for nicotine, and from 84 to 126% for the rest of the target analytes. Several commercial electronic cigarette refill liquids were analyzed to demonstrate the applicability of the method. In some cases, significant differences were found between labeled and measured levels of nicotine. Anatabine, cotinine, myosmine, and nornicotine were also found in some of the analyzed samples.

  13. Changes in salivary microbiota increase volatile sulfur compounds production in healthy male subjects with academic-related chronic stress.

    Directory of Open Access Journals (Sweden)

    Bruno Dias Nani

    Full Text Available To investigate the associations among salivary bacteria, oral emanations of volatile sulfur compounds, and academic-related chronic stress in healthy male subjects.Seventy-eight healthy male undergraduate dental students were classified as stressed or not by evaluation of burnout, a syndrome attributed to academic-related chronic stress. This evaluation was carried out using the Maslach Burnout Inventory-Student Survey questionnaire. Oral emanations of hydrogen sulfide, methyl mercaptan, and dimethyl sulfide were measured using an Oral Chroma™ portable gas chromatograph. The amounts in saliva of total bacteria and seven bacteria associated with halitosis were quantified by qPCR. The in vitro production of H2S by S. moorei and/or F. nucleatum was also measured with the Oral Chroma™ instrument.The stressed students group showed increased oral emanations of hydrogen sulfide and dimethyl sulfide, together with higher salivary Solobacterium moorei levels (p < 0.05, Mann Whitney test. There were moderate positive correlations between the following pairs of variables: Fusobacterium nucleatum and S. moorei; F. nucleatum and hydrogen sulfide; Tannerella forsythia and F. nucleatum; T. forsythia and S. moorei. These correlations only occurred for the stressed group (p < 0.05, Spearman correlation. The in vitro experiment demonstrated that S. moorei increased H2S production by F. nucleatum (p < 0.05, ANOVA and Tukey's test.The increased amount of S. moorei in saliva, and its coexistence with F. nucleatum and T. forsythia, seemed to be responsible for increased oral hydrogen sulfide in the healthy male stressed subjects.

  14. Study on the interaction of chemopreventive compounds and food born carcinogens with cytochrome P450 enzymes

    OpenAIRE

    Brabencová, Eliška

    2013-01-01

    The use of food supplements containing natural chemopreventive compounds increased in recent years. Some of the most popular chemopreventive compounds are flavonoids. Due to their natural origin, flavonoids are generally accepted as safe compounds. They exert antioxidant, anti-cancer and anti-inflammatory properties. However, flavonoids should be considered as foreign compounds (xenobiotics). Flavonoids interact with many enzymes, among the most important belong cytochromes P450 (CYPs), key e...

  15. Impedance study of tea with added taste compounds using conducting polymer and metal electrodes.

    Science.gov (United States)

    Dhiman, Mopsy; Kapur, Pawan; Ganguli, Abhijit; Singla, Madan Lal

    2012-09-01

    In this study the sensing capabilities of a combination of metals and conducting polymer sensing/working electrodes for tea liquor prepared by addition of different compounds using an impedance mode in frequency range 1 Hz-100 KHz at 0.1 V potential has been carried out. Classification of six different tea liquor samples made by dissolving various compounds (black tea liquor + raw milk from milkman), (black tea liquor + sweetened clove syrup), (black tea liquor + sweetened ginger syrup), (black tea liquor + sweetened cardamom syrup), (black tea liquor + sweet chocolate syrup) and (black tea liquor + vanilla flavoured milk without sugar) using six different working electrodes in a multi electrode setup has been studied using impedance and further its PCA has been carried out. Working electrodes of Platinum (Pt), Gold (Au), Silver (Ag), Glassy Carbon (GC) and conducting polymer electrodes of Polyaniline (PANI) and Polypyrrole (PPY) grown on an ITO surface potentiostatically have been deployed in a three electrode set up. The impedance response of these tea liquor samples using number of working electrodes shows a decrease in the real and imaginary impedance values presented on nyquist plots depending upon the nature of the electrode and amount of dissolved salts present in compounds added to tea liquor/solution. The different sensing surfaces allowed a high cross-selectivity in response to the same analyte. From Principal Component Analysis (PCA) plots it was possible to classify tea liquor in 3-4 classes using conducting polymer electrodes; however tea liquors were well separated from the PCA plots employing the impedance data of both conducting polymer and metal electrodes.

  16. Neutron scattering study on R2PdSi3 (R=Ho,Er,Tm) compounds

    International Nuclear Information System (INIS)

    Tang, Fei

    2010-01-01

    Previous studies on the family of inter-metallic rare-earth compounds R 2 PdSi 3 revealed multifaceted magnetic properties, for instance, spin-glass like behavior. Experimental observations include: Signs of a crystallographic superstructure, complicated magnetic structures both in zero field and in applied magnetic fields as well as a generic phase in applied fields for compounds in the series with the heavy rare-earths R=Gd, Tb, Dy, Ho, Er and Tm. This thesis expands the studies on the magnetic properties of R 2 PdSi 3 employing mainly neutron scattering on single crystals with the focus on the compounds with R=Ho, Er and Tm. A detailed analysis of the crystallographic superstructure using modulation wave approach and group theory is presented. The resulting structure implies the existence of two different rare-earth sites with reduced symmetry and an arrangement of the different sites according to sequences as determined by the superstructure. It is shown that the reduced symmetry of the rare-earth sites is explicitly observed in the energy spectra of inelastic neutron scattering. The results on the magnetic structures and excitations are shown and discussed in the framework of the superstructure model. Specifically the generic phase in applied fields is interpreted as a direct consequence of the crystallographic superstructure. It is rather unusual that a crystallographic superstructure is playing such a decisive, and through the field dependence also tunable role in determining the magnetic properties as observed in R 2 PdSi 3 . The mediating interactions between the crystallographic part and the magnetic part of the system are discussed. (orig.)

  17. Application of passive dosing to study the biotransformation and biodegradation of hydrophobic compounds

    DEFF Research Database (Denmark)

    Smith, E. C.; Rein, Arno; Trapp, Stefan

    2011-01-01

    Achieving well-defined and constant dissolved concentrations of hydrophobic compounds is challenging due to volatilization or sorptive losses. With passive dosing, continual partitioning into the test medium of compound(s) loaded in a polymer compensates for losses, and provides defined and const...

  18. Comparison of antioxidant activity of compounds isolated from guava leaves and a stability study of the most active compound.

    Science.gov (United States)

    Nantitanon, W; Okonogi, S

    2012-02-01

    In the present study, quercetin (QT), morin (MR), and quercetin-3-O-glucopyranoside (QG) isolated from guava leaves were comparatively tested for antioxidant activity using DPPH, ABTS, and FRAP methods. QT was the most active among them. The free radical scavenging activity of QT was approximately four times higher than MR and two times higher than QG. The reducing power of QT was eight times higher than MR and two times higher than QG. A mixture of QT with MR or QG showed interesting combination effect. The synergistic antioxidant activity was obtained when QT was mixed with MR whereas the antagonistic effect was found when mixed with QG. The stability study of QT in liquid preparations indicated that the decomposition reaction rate of QT could be explained by a kinetic model assuming a first-order chemical reaction. The aqueous solution of QT was rapidly decomposed with t1/2 of approximately five days whereas QT entrapped in chitosan nanoparticles was five times longer. It was concluded that QT was the most active antioxidant from guava leaves. Entrapment of QT in chitosan nanoparticles could significantly enhance its stability.

  19. Comparative effects of indium/ytterbium doping on, mechanical and gas-sensitivity-related morphological, properties of sprayed ZnO compounds

    International Nuclear Information System (INIS)

    Boukhachem, A.; Fridjine, S.; Amlouk, A.; Boubaker, K.; Bouhafs, M.; Amlouk, M.

    2010-01-01

    In this study, conducting and transparent indium-doped zinc oxide (ZnO) thin films have been deposited on glass substrates by the micro-spray technique. First, zinc oxide layers were obtained by spaying a solution of propanol and zinc acetate in acidified medium. Alternatively, some of the obtained films were doped with indium (In) at the molar rates of: 1%, 2% and 3%. In addition to the classical structural investigated using XRD, AFM and SEM techniques, microhardness Vickers (Hv) measurements have been carried out along with comparative morphological prospecting. The specific gases sensitivity-related surface morphology of the doped ZnO compounds was favorably different from that of the non-doped ones, and showed a thin overlay structure. Results were compared to those recorded for similar ytterbium-doped material.

  20. Ab initio study of the structural, electronic, elastic and thermal properties of RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) intermetallic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Miloud Abid, O.; Yakoubi, A. [Laboratoire d’Etudes des Matériaux et Instrumentations Expérimentales, Université Djilali Liabes de Sidi Bel-Abbes, 22000 (Algeria); Tadjer, A. [Modeling and Simulation in Materials Science Laboratory, Physics Department, University of Sidi Bel-Abbes, Sidi Bel-Abbes (Algeria); Khenata, R., E-mail: khenata_rabah@yahoo.fr [Laboratoire de Physique Quantique de la Modélisation Mathématique (LPQ3M), Université de Mascara, 29000 (Algeria); Ahmed, R. [Department of Physics, Faculty of Science, Universiti Teknologi Malaysia, UTM Skudai, 81310 Johor (Malaysia); Murtaza, G. [Materials Modeling Laboratory, Department of Physics, Islamia College University, Peshawar (Pakistan); Bin Omran, S. [Department of Physics and Astronomy, College of Science, King Saud University, P.O. Box 2455, Riyadh 11451 (Saudi Arabia); Azam, Sikander [New Technologies – Research Center, University of West Bohemia, Univerzitni 8, 306 14 Pilsen (Czech Republic)

    2014-12-15

    Highlights: • The calculated structural parameters of RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) compounds are found in good agreement with the experimental data. • The structural and band structure calculation reveals that these compounds are ferromagnetic brittle metals. • The elastic and thermodynamic properties for the herein studied compounds are investigated for the first time. - Abstract: Intermetallic RMn{sub 2}Ge{sub 2} ternary compounds have attracted considerable attention from researchers in recent years because they show strong indications for novel magnetic characteristics and they have the potential to reveal the mechanism of superlattices. The study of the paramagnetic, ferromagnetic and antiferromagnetic phases affirms the strong dependence to the distance between atomic species in these compounds. In this study, we investigated the structural, elastic, electronic and thermodynamic properties of the intermetallic RMn{sub 2}Ge{sub 2} (R = Ca, Nd and Y) compounds. To carry out this study, we used the full potential (FP) linearized (L) augmented plane wave plus local orbitals (APW + lo), a scheme of calculations developed within the frame work of density functional theory (DFT). To incorporate the exchange correlation (XC) energy and corresponding potential into the total energy calculations, local density approximation (LDA) parameterized by Perdew and Wang is taken into account. Analysis of the density of states (DOS) profile illustrates the conducting nature of these intermetallic compounds; with a predominantly contribution from the R and Mn-d states. At ambient conditions, calculations for elastic constants (C{sub 11}, C{sub 12}, C{sub 13}, C{sub 44}, C{sub 33} and C{sub 66}) are also performed, which point to their brittle character. In addition, the quasi harmonic Debye model was used to predict the thermal properties, together with relative expansion coefficients and heat capacity.

  1. The study on joining carbon/carbon composites using Ti–Ni–Si compound

    International Nuclear Information System (INIS)

    Wang Jie; Li Kezhi; Song Xinrui; Guo Lingjun; Li Wei; Li Zhaoqian

    2012-01-01

    Highlights: ► First study to join C/C composites using Ti–Ni–Si compound. ► The average joint shear strength can reach up to 23.58 MPa. ► Strong joints are apt to fracture through interlayer, interfaces and C/C matrix. ► Phase compositions in joints are varied with increasing joining temperature. - Abstract: 2D carbon/carbon (C/C) composites have been successfully joined by partial transient liquid phase (PTLP) bonding using Ti–Ni–Si compound as interlayer. The shear strengths of C/C joints were found to be affected observably by joining temperature, joining pressure and holding time. The optimum process parameters were determined at 1150 °C, 30 MPa, 45 min, and the maximum joint shear strength was obtained under this optimum process condition with an average value of 23.58 MPa. Microstructures and compositions of joints were analyzed by scanning electronic microscopy (SEM), energy disperse spectroscopy (EDS) and X-ray diffraction (XRD). Results showed that element interdiffusions and chemical reactions took place in the joining zone and various compounds including Ni 4 Si 7 Ti 4 , TiSi 2 , SiC and TiC were produced, by which compact interlayer and strong interface were formed in C/C joints. The shear morphology indicated there were three fracture modes in C/C joints and the fracture was apt to occur through interlayer, interface and C/C matrix in strong joints. Thermal shock resistance experimental results revealed that joint shear strength has a rapid drop after 5 thermal cycles and then reduces gradually with the increase of thermal cycles between room temperature and 1000 °C.

  2. Computational studies of free radical-scavenging properties of phenolic compounds.

    Science.gov (United States)

    Alov, Petko; Tsakovska, Ivanka; Pajeva, Ilza

    2015-01-01

    For more than half a century free radical-induced alterations at cellular and organ levels have been investigated as a probable underlying mechanism of a number of adverse health conditions. Consequently, significant research efforts have been spent for discovering more effective and potent antioxidants / free radical scavengers for treatment of these adverse conditions. Being by far the most used antioxidants among natural and synthetic compounds, mono- and polyphenols have been the focus of both experimental and computational research on mechanisms of free radical scavenging. Quantum chemical studies have provided a significant amount of data on mechanisms of reactions between phenolic compounds and free radicals outlining a number of properties with a key role for the radical scavenging activity and capacity of phenolics. The obtained quantum chemical parameters together with other molecular descriptors have been used in quantitative structure-activity relationship (QSAR) analyses for the design of new more effective phenolic antioxidants and for identification of the most useful natural antioxidant phenolics. This review aims at presenting the state of the art in quantum chemical and QSAR studies of phenolic antioxidants and at analysing the trends observed in the field in the last decade.

  3. TDPAC study of complex structure semiconductor compounds; The case of niobium pentoxide

    Energy Technology Data Exchange (ETDEWEB)

    Shitu, J.; Renteria, M.; Massolo, C.P.; Bibiloni, A.G.; Desimonni, J. (Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, C.C. No. 67, 1900 La Plata (AR))

    1992-07-20

    In this paper, a new method for analyzing Time-Differential Perturbed Angular Correlation spectra is presented and applied to study the hyperfine interaction of {sup 100}Rh in the high temperature modification of niobium pentoxide. The measured quadrupole interactions are assigned to about 80% of the radioactive probes replacing niobium atoms in the lattice and about 20% located in perturbed sites. The origin of this perturbation, producing a high frequency component in the measured spectra is discussed and temptatively assigned to remaining radiation damage in the compound. The hyperfine interaction of {sup 111}Cd probes, introduced through thermal diffusion into niobium pentoxide, is also presented. The temperature dependence of the hyperfine parameters in this case is studied in the temperature range RT-800{degrees} C. The spectral analyzing method employed allows a direct comparison of experimental data with point charge model calculations and a simultaneous evaluation of the antishielding factor {beta}. The obtained values (27 for {sup 100}Rh and 15 for {sup 111}Cd) are discussed in terms of the compound and probe's characteristics.

  4. TDPAC study of complex structure semiconductor compounds; The case niobium pentoxide

    Energy Technology Data Exchange (ETDEWEB)

    Shitu, J.; Renteria, M.; Massolo, C.P.; Bibiloni, A.G.; Desimoni, J. (Dept. de Fisica, Facultad de Ciencias Exactas, Univ. Nacional de La Plata, C.C. No. 67, 1900 La Plata (AR))

    1992-07-10

    In this paper, a new method for analyzing Time-Differential Perturbed Angular Correlation spectra is presented and applied to study the hyperfine interaction of {sup 100}Rh in the high temperature modification of niobium pentoxide. The measured quadrupole interactions are assigned to about 80% of the radioactive probes replacing niobium atoms in the lattice and about 20% located in perturbed sites. The origin of this perturbation, producing a high frequency component in the measured spectra is discussed and temptatively assigned to remaining radiation damage in the compound. The hyperfine interaction of {sup 111}Cd probes, introduced through thermal diffusion into niobium pentoxide, is also presented. The temperature dependence of the hyperfine parameters in this case is studied in the temperature range RT-800{degrees}C. The spectral analyzing method employed allows a direct comparison of experimental data with point charge model calculations and a simultaneous evaluation of the anti-shielding factor {beta}. The obtained values (27 for {sup 100}Rh and 15 for {sup 111}Cd) are discussed in terms of the compound and probe's characteristics.

  5. The Study of Interactions between Active Compounds of Coffee and Willow (Salix sp. Bark Water Extract

    Directory of Open Access Journals (Sweden)

    Agata Durak

    2014-01-01

    Full Text Available Coffee and willow are known as valuable sources of biologically active phytochemicals such as chlorogenic acid, caffeine, and salicin. The aim of the study was to determine the interactions between the active compounds contained in water extracts from coffee and bark of willow (Salix purpurea and Salix myrsinifolia. Raw materials and their mixtures were characterized by multidirectional antioxidant activities; however, bioactive constituents interacted with each other. Synergism was observed for ability of inhibition of lipid peroxidation and reducing power, whereas compounds able to scavenge ABTS radical cation acted antagonistically. Additionally, phytochemicals from willow bark possessed hydrophilic character and thermostability which justifies their potential use as an ingredient in coffee beverages. Proposed mixtures may be used in the prophylaxis or treatment of some civilization diseases linked with oxidative stress. Most importantly, strong synergism observed for phytochemicals able to prevent lipids against oxidation may suggest protective effect for cell membrane phospholipids. Obtained results indicate that extracts from bark tested Salix genotypes as an ingredient in coffee beverages can provide health promoting benefits to the consumers; however, this issue requires further study.

  6. A Study on the Design of Novel Neutron Absorber Using Artificial Rare Earth Compound

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Song Hyun; Shin, Chang Ho; Lee, Seung Hyun; Park, Jeia; Kim, Jong Kyung [Hanyang Univ., Seoul (Korea, Republic of); Kim, Soon Young [RADCORE Co., Ltd., Daejeon (Korea, Republic of); Park, Hwan Seo [Korea Atomic Energy Research Institute, Daejeon (Korea, Republic of)

    2013-10-15

    The artificial rare earth compounds (RE{sub 2}O{sub 3}) generated by the result of the pyro-processing are radioactive wastes which have many long-live radionuclides. Due to the high and long-lived radioactivity of the article RE{sub 2}O{sub 3}, specific radiation shielding and disposal techniques are required. In this study, a simultaneous disposal method of the RE{sub 2}O{sub 3} with the spent fuels is proposed by reusing them for the neutron absorber. In this study, the neutron absorber based on artificial RE{sub 2}O{sub 3} compound was designed for the use in the spent fuel storage. The design of the storage racks for the WH 17Χ17 and PLUS7 spent fuel assemblies were designed and the criticalities were evaluated with the various RE{sub 2}O{sub 3} compositions. Also, the radioactivity and irradiation calculations were performed for the applicability and stability analyses of the neutron absorber into the spent fuel storage. The results show that the neutron absorber can sufficiently reduce the criticality under the regulation guideline. It is expected that the neutron absorber can contribute minimizing the disposal area of the radioactive wastes as well as the reducing the costs and resources for the using the other types of the neutron absorbers.

  7. Converting a C-130 Hercules into a Compound Helicopter: A Conceptual Design Study

    Science.gov (United States)

    Kottapalli, Anjaney P.; Harris, Franklin D.

    2012-01-01

    Currently, the US Military and NASA are investigating the feasibility of a Vertical/Short Take Off and Landing (VSTOL) aircraft that can provide invaluable aid in the combat theater and significantly improve the civil transportation system. The nominal military mission requirement calls for a 28-ton payload heavy lift capability while the civilian requirements calls for a 90-passenger, 1000-nm range, airliner, as noted in Reference 1. To aid in these aircraft requirements, the present study examined the conversion of a Lockheed Martin C-130 Hercules into a compound aircraft, which would demonstrate the technology required by a much larger version. The present study examined various configurations and rotor blade designs in order to fulfill the nominal mission described previously. It was shown that the initial design of a 180 ft diameter rotor to lift 155,000 lb was not feasible due to material constraints. A revised design, in which the rotor radius was reduced to 55 ft, met the given constraints but required too much power. The decision was made to move to a twin rotor compound to take advantage of the increased disc area and drop the need for anti torque devices. Following this design shift, a new design point was found where all five constraints were met and the power requirements were deemed reasonable. This twin-rotor design was used in NDARC to provide a complete sizing analysis of the chosen design point.

  8. Study of flavour compounds from orange juices by HS-SPME and GC-MS

    Science.gov (United States)

    Schmutzer, G.; Avram, V.; Covaciu, F.; Feher, I.; Magdas, A.; David, L.; Moldovan, Z.

    2013-11-01

    The flavour of the orange juices, which gives the taste and odour of the product, is an important criterion about the products quality for consumers. A fresh single strength and two commercial orange juices (obtained from concentrate) flavour profile were studied using a selective and sensitive gas chromatography - mass spectrometry (GC-MS) analytical system, after a solvent free, single step preconcentration and extraction technique, the headspace solid phase microextraction (HP-SPME). In the studied orange juices 55 flavour compounds were detected and classified as belonging to the esters, alcohols, ketones, monoterpenes and sesquiterpenes chemical families. The fresh single strength orange juice was characterized by high amount of esters, monoterpenes and sesquiterpenes. Limonene and valencene were the most abundant flavours in this fresh natural orange juice. Alcohols and ketones were found in higher concentration in the commercial orange juices made from concentrate, than in the single strength products. Nevertheless, in commercial juices the most abundant flavour was limonene and α-terpineol. The results highlight clear differences between fresh singles strength orange juice and juice from concentrate. The orange juices reconstructed from concentrate, made in Romania, present low quantity of flavour compounds, suggesting the absence or a low rearomatization process, but extraneous components were not detected.

  9. Magnetic Study of the Novel Polynuclear Compound [Cu(II)(6-Mercaptopurinolate 2-)] n

    Science.gov (United States)

    Acevedo-Chávez, Rodolfo; Costas, María. Eugenia; Escudero, Roberto

    1997-08-01

    Chemical reactions between Cu(II) and 6-mercaptopurine, both in aqueous and in methanolic media, yield the novel amorphous polynuclear compound [Cu(II)(6-mercaptopurinolate)2-]n, which is also obtained from diverse Cu(II)-heterocyclic ligand competitive reactions. The kinetic and thermodynamic stabilities associated with the formation of this compound are inferred as remarkable. The spectroscopic data let us suggest the involvement of the exocyclic S(6) donor site and the N atoms in the imidazolic moiety of the deprotonated heterocyclic ligand in the coordination to Cu(II) atoms, forming a distorted bidimensional metallic network. The magnetic studies show the existence of very weak antiferromagnetic coupling in the solid sample. This system represents the first example of a 1 : 1 metal : 6-mercaptopurinolate2-system with ad-type open shell metallic center. The magnetic study carried out also represents the first example of magnetic characterization for this type of polynuclear Cu(II) systems with the dianionic 6-mercaptopurine ligand.

  10. Studies on Inhibition of Proliferation of Enterovirus-71 by Compound YZ-LY-0.

    Science.gov (United States)

    Yang, Qingzhan; Jie, Qing; Shaw, Neil; Li, Lei; Rao, Zihe; Yin, Zheng; Lou, Zhiyong

    2015-01-01

    In recent years, hand-foot-and-mouth disease (HFMD), which is caused by Enteroviruses, has emerged as a serious illness. It affects mainly children under the age of five and results in high fatality rates. Enterovirus 71 (EV71) is the main causative agent of HFMD in China and currently there are no effective anti-viral drugs available to treat HFMD. In the present study, we screened compounds for inhibition of proliferation of EV71. Compound YZ-LY-0 stalled the life cycle of EV71. The inhibitor exhibited EC50 value of 0.29 μm against SK-EV006 strain of EV71. Notably, YZ-LY-0 had low cytotoxicity (CC50 > 100 μM) and a high selectivity index (over 300) in Vero and RD cells. YZ-LY-0 in combination with an EV71 RdRp inhibitor or an entry inhibitor showed an antagonistic effect at very low concentrations. However, at higher concentrations the inhibitors exhibited a synergistic effect in inhibiting viral replication. Preliminary results on investigation of the mechanism of inhibition indicate that YZ-LY-0 does not block the entry of the virus in the host cell, but instead inhibits an early stage of EV71 replication. Our studies provide a potential clinical therapeutic option against EV71 infections and suggest that a combined application of YZ-LY-0 with other inhibitors could be more effective in the treatment of HFMD.

  11. Laboratory Study on Properties of Diatomite and Basalt Fiber Compound Modified Asphalt Mastic

    Directory of Open Access Journals (Sweden)

    Yongchun Cheng

    2017-01-01

    Full Text Available In order to improve the performance of asphalt mastic, some researchers have added diatomite or basalt fiber as a modifier to the asphalt mastic, and the results show that some properties of the asphalt mastic were improved. For the simultaneous addition of diatomite and basalt fiber, two kinds of modifier, compound modified asphalt mastic had not been reported; in this paper, thirteen groups of diatomite and basalt fiber (DBFCMAM compound modified asphalt mastic with different content were prepared to study the performance. Softening point, cone penetration, viscosity, and DSR tests were conducted, for the high temperature performance evaluation of DBFCMAM, whereas force ductility and BBR tests were used in the low temperature performance study of the DBFCMAM. The results demonstrated that the high temperature performance of DBFCMAM was increased; moreover, the low temperature performance of DBFCMAM improved by diatomite and basalt fiber according to the results of the force ductility test; however, the conclusion of the BBR test data was inconsistent with the force ductility test. In summary, the high temperature and low temperature properties of DBFCMAM had been improved.

  12. Numerical model to quantify biogenic volatile organic compound emissions: The Pearl River Delta region as a case study.

    Science.gov (United States)

    Wang, Xuemei; Situ, Shuping; Chen, Weihua; Zheng, Junyu; Guenther, Alex; Fan, Qi; Chang, Ming

    2016-08-01

    This article compiles the actual knowledge of the biogenic volatile organic compound (BVOC) emissions estimated using model methods in the Pearl River Delta (PRD) region, one of the most developed regions in China. The developed history of BVOC emission models is presented briefly and three typical emission models are introduced and compared. The results from local studies related to BVOC emissions have been summarized. Based on this analysis, it is recommended that local researchers conduct BVOC emission studies systematically, from the assessment of model inputs, to compiling regional emission inventories to quantifying the uncertainties and evaluating the model results. Beyond that, more basic researches should be conducted in the future to close the gaps in knowledge on BVOC emission mechanisms, to develop the emission models and to refine the inventory results. This paper can provide a perspective on these aspects in the broad field of research associated with BVOC emissions in the PRD region. Copyright © 2016. Published by Elsevier B.V.

  13. Positron annihilation lifetime studies of changes in free volume on some biorelevant nitrogen heterocyclic compounds and their S-glycosylation

    International Nuclear Information System (INIS)

    Mahmoud, K.R.; Khodair, A.I.; Shaban, S.Y.

    2015-01-01

    A series of N-heterocyclic compounds was investigated by positron annihilation lifetime spectroscopy as well as Doppler broadening of annihilation radiation (DBAR) at room temperature. The results showed that the formation probability and life time of ortho-positronium in this series are structure and electron-donation character dependent, and can give more information about the structure. The DBAR provides direct information about the change of core and valance electrons as well as the number of defect types present in these compounds. - Highlights: • N-heterocyclic compounds were studied by PALS and DBAR at room temperature. • These compounds contain thiohydantoins which have wide applications as anticarcinogenic, antiviral, human immunodeficiency virus (HIV) and antimicrobial activity. • The DBAR provides direct information about the change of core and valance electrons as well as the number of defect types present in these compounds.

  14. In vitro assessment of the growth and plasma membrane H+ -ATPase inhibitory activity of ebselen and structurally related selenium- and sulfur-containing compounds in Candida albicans.

    Science.gov (United States)

    Orie, Natalie N; Warren, Andrew R; Basaric, Jovana; Lau-Cam, Cesar; Piętka-Ottlik, Magdalena; Młochowski, Jacek; Billack, Blase

    2017-06-01

    Ebselen (EB, compound 1) is an investigational organoselenium compound that reduces fungal growth, in part, through inhibition of the fungal plasma membrane H + -ATPase (Pma1p). In the present study, the growth inhibitory activity of EB and of five structural analogs was assessed in a fluconazole (FLU)-resistant strain of Candida albicans (S2). While none of the compounds were more effective than EB at inhibiting fungal growth (IC 50  ∼ 18 μM), two compounds, compounds 5 and 6, were similar in potency. Medium acidification assays performed with S2 yeast cells revealed that compounds 4 and 6, but not compounds 2, 3, or 5, exerted an inhibitory activity comparable to EB (IC 50  ∼ 14 μM). Using a partially purified Pma1p preparation obtained from S2 yeast cells, EB and all the analogs demonstrated a similar inhibitory activity. Taken together, these results indicate that EB analogs are worth exploring further for use as growth inhibitors of FLU-resistant fungi. © 2017 Wiley Periodicals, Inc.

  15. Study of oxygenated compounds of rhenium VII: actinide perrhenates, molybdo- and tungstoperrhenates

    International Nuclear Information System (INIS)

    Silvestre, J.-P.

    1978-01-01

    Crystallographic data for the perrhenates of the actinides and their hydrates. Study of the thermal stability of the perrhenates of the actinides. Double perrhenates of thorium and monovalent elements: Th 5 M 2 (ReO 4 ) 22 , ThM(ReO 4 ) 5 , ThM 2 (ReO 4 ) 6 with M = Na, K, Rb, Cs and Tl; ThM 3 (ReO 4 ) 7 with M=K, Rb, Cs and Tl are showing up in the study of the systems Th(ReO 4 ) 4 -M(ReO 4 ). Study of the possibilities of substitution Re 7+ -Mo 6+ and Re 7+ -W 6+ : non stoechiometric cubic compounds Thsub(1/2-x/4)(Msub(1-x)Resub(x)O 4 ) with 1/6 3 (MO 4 )(ReO 4 ) (M = Mo, W) are disclosed [fr

  16. Impaired epithelial differentiation of induced pluripotent stem cells from ectodermal dysplasia-related patients is rescued by the small compound APR-246/PRIMA-1MET.

    Science.gov (United States)

    Shalom-Feuerstein, Ruby; Serror, Laura; Aberdam, Edith; Müller, Franz-Josef; van Bokhoven, Hans; Wiman, Klas G; Zhou, Huiqing; Aberdam, Daniel; Petit, Isabelle

    2013-02-05

    Ectodermal dysplasia is a group of congenital syndromes affecting a variety of ectodermal derivatives. Among them, ectrodactyly, ectodermal dysplasia, and cleft lip/palate (EEC) syndrome is caused by single point mutations in the p63 gene, which controls epidermal development and homeostasis. Phenotypic defects of the EEC syndrome include skin defects and limbal stem-cell deficiency. In this study, we designed a unique cellular model that recapitulated major embryonic defects related to EEC. Fibroblasts from healthy donors and EEC patients carrying two different point mutations in the DNA binding domain of p63 were reprogrammed into induced pluripotent stem cell (iPSC) lines. EEC-iPSC from both patients showed early ectodermal commitment into K18(+) cells but failed to further differentiate into K14(+) cells (epidermis/limbus) or K3/K12(+) cells (corneal epithelium). APR-246 (PRIMA-1(MET)), a small compound that restores functionality of mutant p53 in human tumor cells, could revert corneal epithelial lineage commitment and reinstate a normal p63-related signaling pathway. This study illustrates the relevance of iPSC for p63 related disorders and paves the way for future therapy of EEC.

  17. Phase relations in the pseudobinary BaO-PbO2 system. Part 1: synthesis and characterization of compounds

    International Nuclear Information System (INIS)

    Rama Rao, G.V.; Suganthi, S.; Asokamani, R.; Azad, A.M.; Sreedharan, O.M.

    1993-01-01

    The compounds BaPbO 3 and Ba 2 PbO 4 are among the important basic materials for the copper less ceramic superconductors. Hence it was necessary to identify the best process of synthesis with optimum process temperature. For this purpose preparation of BaPbO 3 and Ba 2 PbO 4 was carried out by solid-state, solid-solution and sol-gel processes. Products so synthesised were characterized by x-ray diffraction, infra red spectroscopy and thermal analyses. Particle size measurements were carried out by He-Ne laser light scattering technique for a possible correlation with sintering behaviour. Merits and limitations of the different processes were compared. The reaction process was studied by thermal analysis (TG and DTA) and infra red spectroscopy. The solid solution process has reduced the formation temperature by a margin of 200-300 deg to a value of 773K compared to other methods. The sol-gel processing approach did not favour the formation of Ba 2 PbO 4 . While solid solution route appears to be the best for synthesis of pure B 2 PbO 4 , sol-gel processes are most appropriate for synthesizing BaPbO 3 with very fine particle size distribution. (author). 24 refs., 3 figs., 4 tabs

  18. Water to atmosphere fluxes of 131I in relation with alkyl-iodide compounds from the Seine Estuary (France)

    International Nuclear Information System (INIS)

    Connan, Olivier; Tessier, Emmanuel; Maro, Denis; Amouroux, David; Hebert, Didier; Rozet, Marianne; Voiseux, Claire; Solier, Luc

    2008-01-01

    This study presents an original work on measurements of stable and radioactive iodinated species in the Seine estuary (France), with estimates fluxes of volatile gaseous species from water to the atmosphere. Various iodinated compounds were identified in water and air in particular 131 I in water, what is unusual. Concentrations and behaviour of iodinated elements in the Seine estuary seem similar to what has been observed in other European estuaries. MeI (Methyl Iodide) and Total Volatile Iodine (TVI) fluxes from water to air vary between 392 and 13949 pmol m -2 d -1 and between 1279 and 16484 pmol m -2 d -1 , respectively. Water to air flux of TVI for the Seine river was estimated in the range 4-46 kg y -1 . Measurements of 131 I in water varying between 0.4 and 11.9 Bq m -3 . Fluxes of 131 I from water to atmosphere are in the range 2.4 x 10 5 -1.3 x 10 7 Bq y -1 , close to an annual discharge of 131 I by a nuclear reactor

  19. Effect of micro-oxygenation on color and anthocyanin-related compounds of wines with different phenolic contents.

    Science.gov (United States)

    Cano-López, Marta; Pardo-Mínguez, Francisco; Schmauch, Gregory; Saucier, Cedric; Teissedre, Pierre-Louis; López-Roca, Jose María; Gómez-Plaza, Encarna

    2008-07-23

    Several factors may affect the results obtained when micro-oxygenation is applied to red wines, the most important being the moment of application, the doses of oxygen, and the wine phenolic characteristics. In this study, three red wines, made from Vitis vinifera var. Monastrell (2005 vintage) and with different phenolic characteristics, were micro-oxygenated to determine as to how this technique affected the formation of new pigments in the wines and their chromatic characteristics. The results indicated that the different wines were differently affected by micro-oxygenation. In general, the micro-oxygenated wines had a higher percentage of new anthocyanin-derived pigments, being that this formation is more favored in the wines with the highest total phenol content. These compounds, in turn, significantly increased the wine color intensity. The wine with the lowest phenolic content was less influenced by micro-oxygenation, and the observed evolution in the degree of polymerization of tannins suggested that it might have suffered overoxygenation.

  20. General anesthetic octanol and related compounds activate wild-type and delF508 cystic fibrosis chloride channels.

    Science.gov (United States)

    Marcet, Brice; Becq, Frédéric; Norez, Caroline; Delmas, Patrick; Verrier, Bernard

    2004-03-01

    1. Cystic fibrosis transmembrane conductance regulator (CFTR) Cl(-) channel is defective during cystic fibrosis (CF). Activators of the CFTR Cl(-) channel may be useful for therapy of CF. Here, we demonstrate that a range of general anesthetics like normal-alkanols (n-alkanols) and related compounds can stimulate the Cl(-) channel activity of wild-type CFTR and delF508-CFTR mutant. 2. The effects of n-alkanols like octanol on CFTR activity were measured by iodide ((125)I) efflux and patch-clamp techniques on three distinct cellular models: (1). CFTR-expressing Chinese hamster ovary cells, (2). human airway Calu-3 epithelial cells and (3). human airway JME/CF15 epithelial cells which express the delF508-CFTR mutant. 3. Our data show for the first time that n-alkanols activate both wild-type CFTR and delF508-CFTR mutant. Octanol stimulated (125)I efflux in a dose-dependent manner in CFTR-expressing cells (wild-type and delF508) but not in cell lines lacking CFTR. (125)I efflux and Cl(-) currents induced by octanol were blocked by glibenclamide but insensitive to 4,4'-diisothiocyanatostilbene-2,2'-disulfonic acid, as expected for a CFTR Cl(-) current. 4. CFTR activation by octanol was neither due to cell-to-cell uncoupling properties of octanol nor to an intracellular cAMP increase. CFTR activation by octanol requires phosphorylation by protein kinase-A (PKA) since it was prevented by H-89, a PKA inhibitor. 5. n-Alkanols chain length was an important determinant for channel activation, with rank order of potencies: 1-heptanoloctanoloctanol<1-decanol. Our findings may be of valuable interest for developing novel therapeutic strategies for CF.

  1. Repeated-dose toxicological studies of Tithonia diversifolia (Hemsl.) A. gray and identification of the toxic compounds.

    Science.gov (United States)

    Passoni, Flávia Donaire; Oliveira, Rejane Barbosa; Chagas-Paula, Daniela Aparecida; Gobbo-Neto, Leonardo; Da Costa, Fernando Batista

    2013-05-20

    Tithonia diversifolia (Hemsl.) A. Gray has been commonly used in folk medicine to treat abscesses, microbiological infections, snake bites, malaria and diabetes. Both anti-inflammatory and anti-malarial properties have been identified using appropriate assays, but the effective doses have demonstrated toxic effects for the experimental animals. Most of the pharmacological activities have been attributed to sesquiterpene lactones (STLs) and some chlorogenic acid derivatives (CAs) in the leaves of this species. This work aimed to evaluate the repeated-dose toxicity of an aqueous extract (AE) from Tithonia diversifolia leaves and to compare the results with an extract rich in STLs (LRE) and a polar extract (PE) without STLs but rich in CAs. The purpose of this work was to provide insights into the identity of the compounds responsible for the toxic effects of Tithonia diversifolia. The major classes of compounds were confirmed in each extract by IR spectra and HPLC-UV-DAD profiling using previously isolated or standard compounds. The toxicity of each extract was evaluated in a repeated-dose toxicity study in Wistar rats for 90 days. The AE is composed of both STLs and CAs, the LRE is rich in STLs, and the PE is rich in CAs. The AE caused alterations in haematological parameters but few alterations in biochemical parameters and was relatively safe at doses lower than 100mg/kg. However, the PE and LRE demonstrated several adverse effects by damaging the liver and kidneys, respectively. STLs and CAs can be toxic in prolonged use at higher doses in extracts prepared from Tithonia diversifolia by affecting the kidneys and liver. Copyright © 2013 Elsevier Ireland Ltd. All rights reserved.

  2. Comparative study of aromatic compounds in fruit wines from raspberry, strawberry, and mulberry in central Shaanxi area

    Directory of Open Access Journals (Sweden)

    Yiming Feng

    2015-11-01

    Full Text Available Background: Although grape wines have firmly dominated the production and consumption markets of fruit wines, raspberry, strawberry, and mulberry have been utilized to make wines because of their joyful aroma and high contents of polyphenolic phytochemicals and essential fatty acids. However, little is known about aromatic compounds of the wines produced from these three fruits. Methods: The aromatic composition of fruit wines produced from raspberry, strawberry, mulberry, and red grape was analyzed by GC-MS. Odor activity values (OAVs and relative odor contributions (ROCs were used to estimate the sensory contribution of the aromatic compounds to the overall flavor of the wines. Results: In strawberry, raspberry, and mulberry wines, 27, 30, and 31 odorants were detected, respectively. Alcohols formed the most abundant group, followed by esters and acids. The grape wine contained a wider variety (16 types of alcohols, and 4-methyl-2-pentanol and 2,3-butanediol were not present in the three fruit wines. The quantity of esters in raspberry (1.54% and mulberry wines (2.08% were higher than those of strawberry wine (0.78%, and mulberry wine contained more types of esters. There were no significant differences of acids between the three fruit wines and the control wine. In addition, 2-heptanone, 2-octanone, 2-nonanone, and 2-undecanone were unique to raspberry wine, and nonanal was present only in mulberry wine. The indistinguishable aroma of the three fruit wines was attributed to the dominance of fruity and floral odor components derived from ethyl esters of fatty acids and their contributions to the global aroma of the three fruit wines. Conclusion: The present study demonstrated that there were significant differences in the volatile components of fruit wines made from raspberry, strawberry, and mulberry. The aroma compounds were more abundant in the raspberry and mulberry wines than in the strawberry wine, but the quality of strawberry wine was

  3. Study of the emission of low molecular weight organic compounds of various plants

    International Nuclear Information System (INIS)

    Steinbrecher, R.; Stahl, K.; Slemr, J.; Hahn, J.

    1992-01-01

    Biogenic hydrocarbons are known to act as important precursors in tropospheric photochemical ozone formation. Large uncertainties exist about the composition of the mix of volatile organic compounds, emitted by various plant species and the respective emission rates. The emission and deposition behavior of wheat plants, as far as C 2 to C 9 hydrocarbons (NMHC), formaldehyde, and acetaldehyde are concerned, was studied both in the field (BIATEX experimental site, Manndorf, Bavaria) and in the laboratory. Vertical flux rates of the different compounds ranged from -4 to +4 nmol C m -2 surface area s -1 . Aldehydeemission showed a seasonal trend with high rates in spring and lower towards the end of the vegetation period. Ambient temperature appears to control only the flux of ethane, ethene, propane and propene, whereas acetaldehyde emission by wheat plants as well as by Norway spruce is controlled by light. Over a spruce canopy (BIATEX experimental site Schachtenau, Bayerischer Wald, national park, FRG) the 12 most abundant NMHC exhibited no distinct diurnal cycle, and only small differences in mixing ratios were detected between two heights (31 and 51 m) revealing that the impact of the canopy on the abundances of the non-terpenoid NMHCs present in the air above the canopy was small. Aldehyde mixing ratios above a spruce canopy, however, may significantly be influenced either by direct emission of aldehydes from spruce or by production of aldehydes during photochemical degradation of precursors. (orig.). 87 refs., 4 tabs., 25 figs [de

  4. Fusion-Fission like studies from medium heavy to light compound systems

    International Nuclear Information System (INIS)

    Heusch, B.

    1991-01-01

    It has been shown that for systems as light as A CN = 47 up to systems just above the Businaro Gallone point in the mass region of 100 to 110 the probability for a system to deexcite by the fission channel, is not negligible. As predicted, the asymmetrical separation becomes dominant when the A CN mass is decreasing but the symmetrical mode remains measurable. The ambiguities in the measured outgoing fragment distributions arise from the competition with IMF emissions as well as dynamical fission processes which depend strongly on the studied system. Fully relaxed DIC has also be used to interpret the results. I tried to show that precise checks on the behavior of two neighbouring systems as well as search for entrance channel effect and/or energy dependence bring evidence enough that the deexcitation of the compound nucleus can account for the symmetric and asymmetric fission channels as well as IMF emissions. This is strongly supported by different recent calculations all done in this frame. These all conclusions indicate also that the RLDM fails in the data interpretation. The strength of the fission channel depends strongly on the possibilities a system has to deexcite. For very light systems especially the number of open channels available determines directly the flux repartition between direct or compound processes and therefore very large differences in the general behaviour of two neighbouring systems can be observed. 15 figs

  5. High pressure study of the intermetallic compound UFe2Al10

    International Nuclear Information System (INIS)

    Halevy, I.; Zenou, V.Y.; Salhov, S.; Caspi, E.N.; Schaefer, W.; Yaar, I.

    2006-01-01

    The crystallographic and electronic structure of UFe 2 Al 10 was studied as a function of pressure by combining X-ray diffraction results with the full potential linearized augmented plane wave (LAPW) calculations method. The volume-pressure reduction measured at 23.5 GPa is V/V 0 = 0.87, with a B 0 value of 132 ± 8 GPa. The uranium 5f electrons in this compound are located in a narrow and well-defined band above E Fermi , having a very weak interaction with the iron 3d band located below E Fermi . Consequently, the DOS at E Fermi is close to zero, indicating a close to zero-magnetic moment of the uranium atom at low temperature up to a pressure of 23.5 GPa, as expected from the layered crystallographic structure of this compound. The above assumption is supported by preliminary neutron diffraction data, where no long-range magnetic order was detected down to 3 K

  6. Toxicity evaluation of 2-hydroxybiphenyl and other compounds involved in studies of fossil fuels biodesulphurisation.

    Science.gov (United States)

    Alves, L; Paixão, S M

    2011-10-01

    The acute toxicity of some compounds used in fossil fuels biodesulphurisation studies, on the respiration activity, was evaluated by Gordonia alkanivorans and Rhodococcus erythropolis. Moreover, the effect of 2-hydroxybiphenyl on cell growth of both strains was also determined, using batch (chronic bioassays) and continuous cultures. The IC₅₀ values obtained showed the toxicity of all the compounds tested to both strains, specially the high toxicity of 2-HBP. These results were confirmed by the chronic toxicity data. The toxicity data sets highlight for a higher sensitivity to the toxicant by the strain presenting a lower growth rate, due to a lower cells number in contact with the toxicant. Thus, microorganisms exhibiting faster generation times could be more resistant to 2-HBP accumulation during a BDS process. The physiological response of both strains to 2-HBP pulse in a steady-state continuous culture shows their potential to be used in a future fossil fuel BDS process. Copyright © 2011 Elsevier Ltd. All rights reserved.

  7. Ab initio computational study of vincristine as a biological active compound: NMR and NBO analyses

    Directory of Open Access Journals (Sweden)

    Shiva Joohari

    2015-06-01

    Full Text Available Vincristine is a biological active alkaloid that has been used clinically against a variety of neoplasms. In the current study we have theoretically investigated the magnetic properties of titled compound to predict physical and chemical properties of vincristine as a biological inhibitor. Ab initio computation using HF and B3LYP with 3-21G(d and 6-31G(d level of theory have been performed and then magnetic shielding tensor (, ppm, shielding asymmetry (, magnetic shielding anisotropy (aniso, ppm, the skew of a tensor (K, chemical shift anisotropy ( and chemical shift ( were calculated to indicate the details of the interaction mechanism between microtubules and vincristine. Moreover, EHOMO, ELUMO and Ebg were evaluated. The maximum and minimum values of Ebg were found in HF/3-21g and B3LYP/3-21g respectively. It was also uggested that O24, O37, O49 and O55 with minimum values of iso, are active sites of titled compound. Furthermore the calculated chemical shifts were compared with experimental data in DMSO and CDCl3 solvents.

  8. Study of behaviour of radioactive iodine inorganic compounds in PWR type reactor loops

    International Nuclear Information System (INIS)

    Alm, M.; Johannsen, K.-H.; Dreyer, R.

    1980-01-01

    Compounds of radioactive iodine and its distribution between water and vapour depending on temperature, pressure and water regime of reactor coolant with water under pressure are investigated. The field of variation of parameters indicated is widened as compared with operating reactor parameters (pressure 2-14 MPa, temperature 210-335 deg C). Distribution of iodine compounds has been studied by a statistical method. For WWER-type reactors the following conclusions have been drawn: radioactive iodine in water and vapor in the first and second loops exists in the form of iodide, radioactive iodine concentration in water vapour at constant temperature and pressure mainly is depended on water pH value, radioactive iodine solubility in water vapor at normal parameters of the reactor first loop can be approximately calculated by the equation: Ksub(d)=Csub(g)/Csub(l)=(rhosub(g)/rhosub(l))sup(2), where Ksub(d) is a coefficient of solid distribution between water and vapour, rho is density c is concentration [ru

  9. A comparative DFT study on the antioxidant activity of apigenin and scutellarein flavonoid compounds

    Science.gov (United States)

    Sadasivam, K.; Kumaresan, R.

    2011-03-01

    The potent antioxidant activity of flavonoids relevant to their ability to scavenge reactive oxygen species is the most important function of flavonoids. Density functional theory calculations were explored to investigate the antioxidant activity of flavonoid compounds such as apigenin and scutellarein. The biological characteristics are dependent on electronic parameters, describing the charge distribution on the rings of the flavonoid molecules. The computation of structural and various molecular descriptors such as polarizability, dipole moment, energy gap, homolytic O-H bond dissociation enthalpies (BDEs), ionization potential (IP), electron affinity, hardness, softness, electronegativity, electrophilic index and density plot of molecular orbital for neutral as well as radical species were carried out and studied. The B3LYP/6-311G(d,p) basis set was adopted for all the computations. This computation reveals that scutellarein exhibits higher degree of antioxidant activity than apigenin. Their dipole moment and polarizability analysis show that both the compounds are polar in nature and have the capacity to polarize other atoms.

  10. Quantitative neutron capture radiography for studying the biodistribution of tumor-seeking boron-containing compounds

    International Nuclear Information System (INIS)

    Gabel, D.; Holstein, H.; Larsson, B.; Gille, L.; Ericson, G.; Sacker, D.; Som, P.; Fairchild, R.G.

    1987-01-01

    Biodistribution of two compounds presently considered for use in neutron capture therapy has been studied in mice carrying a transplantable Harding-Passey melanoma. A method is described by which quantitative assessment can be made of the boron distribution in whole-body sections of such animals. An alpha-particle-sensitive film is placed in close contact with a freeze-dried section of an animal and exposed to neutrons. The tracks visible after etching are analyzed optoelectronically in fields of 0.6 X 0.6 mm2 and compared to standards of boron homogeneously distributed in liver homogenates. The dynamic range of this method is about two orders of magnitude in concentration, with a lower detection limit of 0.1 to 0.01 ppm 10 B, depending on the rate of induction of spurious tracks by fast neutrons present in the neutron beam chosen. In a transplantable Harding-Passey melanoma in mice, it was found that the sulfhydryl boron hydride Na2B12H11SH presently used for therapy of glioblastoma clears blood, muscle, and brain very rapidly. Its accumulation in tumors was persistent for more than three days. A higher tumor accumulation was observed with its disulfide, which has been suggested for neutron capture therapy. For both compounds, a marked heterogeneity of boron distribution within one tumor was found

  11. Low-temperature heat-capacity study of the U6X (XequivalentMn, Fe, Co, Ni) compounds

    International Nuclear Information System (INIS)

    Yang, K.N.; Maple, M.B.; DeLong, L.E.; Huber, J.G.; Junod, A.

    1989-01-01

    Measurements of the superconducting- and normal-state heat capacity of U 6 X (XequivalentMn, Fe, Co, Ni) compounds have been performed over a temperature range 1 Kapprox. 6 X compounds have strong renormalizations of the free-carrier effective mass m/sup */ in the range 10m/sub e/approx. 6 X heat capacities suggest the presence of high densities of low-energy excitations of undetermined nature. The results are analyzed in terms of models appropriate to heavy-fermion liquids, and anisotropic or strong-coupled superconductors. The U 6 X compounds form a link between relatively low-m/sup */, high-transition-temperature A15 compounds and the more extreme examples of heavy-fermion superconductors such as UBe/sub 13/, UPt 3 , and CeCuSi 2 for which m/sup */∼10 2 m/sub e/. .AE

  12. Gum forming olefinic precursors in motor gasoline: a model compound study

    Energy Technology Data Exchange (ETDEWEB)

    Nagpal, J.M.; Joshi, G.C.; Singh, J.; Rastogi, S.N. (Indian Institute of Petroleum, Dehradun (India))

    1994-01-01

    The source of the cracked components in motor gasoline are generally (Fluid Catalytic Cracking) FCC and thermal cracking naphthas incorporated in the gasoline pool. The FCC olefins are predominant in isostructures, while thermal cracking naphthas obtained from visbreaking and coking operations contain substantial amounts of cyclic structures. The contribution of various olefinic structures present in these naphthas are likely to vary. The gum forming tendencies of different types of olefinic structures have been studied by taking model compounds in a known sample matrix through potential gum measurements under accelerated test conditions. Peroxide number values have also been determined on aged sample. Cyclic and dicyclic structures have been found to contribute maximum, towards gum formation tendencies. Branching generally increases the gum formation. However, position of branching plays an important role besides the double bond. Synergistic effects of dienes with straight chain and branched olefins have also been studied. 11 refs., 10 figs., 2 tabs.

  13. A first principle study of band structure of III-nitride compounds

    Energy Technology Data Exchange (ETDEWEB)

    Ahmed, Rashid [Centre for High Energy Physics University of the Punjab, Lahore-54590 (Pakistan)]. E-mail: rasofi@hotmail.com; Akbarzadeh, H. [Department of Physics, Isfahan University of Technology, 841546 Isfahan (Iran, Islamic Republic of); Fazal-e-Aleem [Centre for High Energy Physics University of the Punjab, Lahore-54590 (Pakistan)

    2005-12-15

    The band structure of both phases, zinc-blende and wurtzite, of aluminum nitride, indium nitride and gallium nitride has been studied using computational methods. The study has been done using first principle full-potential linearized augmented plane wave (FP-LAPW) method, within the framework of density functional theory (DFT). For the exchange correlation potential, generalized gradient approximation (GGA) and an alternative form of GGA proposed by Engel and Vosko (GGA-EV) have been used. Results obtained for band structure of these compounds have been compared with experimental results as well as other first principle computations. Our results show a significant improvement over other theoretical work and are closer to the experimental data.

  14. Taxonomic study and partial characterization of antimicrobial compounds from a moderately halophilic strain of the genus Actinoalloteichus

    Directory of Open Access Journals (Sweden)

    Farida Boudjelal

    2011-09-01

    Full Text Available A moderately halophilic actinomycete strain designated AH97 was isolated from a saline Saharan soil, and selected for its antimicrobial activities against bacteria and fungi. The AH97 strain was identified by morphological, chemotaxonomic and phylogenetic analyses to the genus Actinoalloteichus. Analysis of the 16S rDNA sequence of strain AH97 showed a similarity level ranging between 95.8% and 98.4% within Actinoalloteichus species, with A. hymeniacidonis the most closely related. The comparison of the physiological characteristics of AH97 with those of known species of Actinoalloteichus showed significant differences. Strain AH97 showed an antibacterial and antifungal activity against broad spectrum of microorganisms known to be human and plant pathogens. The bioactive compounds were extracted from the filtrate culture with n-butanol and purified using thin layer chromatography and high pressure liquid chromatography procedures. Two active products were isolated, one hydrophilic fraction (F1 and another hydrophobic (F2. Ultraviolet-visible, infrared, mass and ¹H and 13C nuclear magnetic resonance spectroscopy studies suggested that these molecules were the dioctyl phthalate (F2 and an aminoglycosidic compound (F1.

  15. Study on the applicability of structural and morphological parameters of selected uranium compounds for nuclear forensic purposes

    Energy Technology Data Exchange (ETDEWEB)

    Ho Mer Lin, Doris

    2015-03-13

    Nuclear forensic science or nuclear forensics, is a relatively young discipline which evolved due to the need of analysing interdicted nuclear or radioactive material, necessary for determining its origin. Fundamentally, nuclear forensic science makes use of measurable material properties, referred to as ''signatures'', which provide hints on the history of the material. As part of the advancement in this multi-faceted field, new signatures are constantly sought after and as well as analytical techniques to efficiently and accurately determine the signatures. The work carried out in this study is part of this fulfilment to investigate new structural and morphological parameters as possible new nuclear forensic signatures for selected uranium compounds. The scientific goals have been oriented into three parts for investigations in this study. Firstly, five different compositions of uranium ore concentrates (UOCs) were prepared in the laboratory under well-defined conditions. These materials were subsequently characterized by several techniques such as X-ray diffraction, thermogravimetry/differential thermal analysis, Infrared and Raman spectroscopy, mass spectrometry, scanning electron microscopy etc. Such materials were pivotal for comparison with the industrial samples. Secondly, several uranium compounds, mainly UOCs were measured using Raman spectroscopy. At least three different Raman spectrometers were used and a comparison made in their performance and suitability for nuclear forensics. Raman spectra of industrial uranium materials were interpreted with regard to compound identification and to determination of (anionic) impurities. Anionic impurities