Sample records for related compounds iv

  1. Low temperature vibrational spectroscopy. II. Evidence for order–disorder phase transitions due to weak C–H···Cl hydrogen bonding in tetramethylammonium hexachloroplatinate (IV), -tellurate (IV), and -stannate (IV) and the related perdeuterated compounds

    DEFF Research Database (Denmark)

    Berg, Rolf W.


    and it is suggested that the phase transitions are caused by an ordering of rotationally disordered methyl groups via the formation of weak C–H···Cl hydrogen bonds at low temperatures. The transition temperatures and hence the interactions are shown to depend on both the kind of hydrogen isotope and metal present...... torsions and other noncubic features play a role, especially in spectra at low temperatures. Possible site symmetries of the [PtCl6]2− ion, which cannot have strictly Oh symmetry in either phase, have been deduced. The spectra of a mixed Pt : Te compound showed that the hexachlorometallate anions vibrate...

  2. Sterile product compounding using an i.v. compounding workflow management system at a pediatric hospital. (United States)

    Moniz, Thomas T; Chu, Stephen; Tom, Crystal; Lutz, Peter; Arnold, Alana; Gura, Kathleen M; Patterson, Al


    Patient safety enhancements achieved through the use of an automated i.v. compounding workflow management system are reported. Automated systems integrating barcode verification of ingredients and the capture of serial images of all steps of the admixture process have the potential to improve the accuracy of parenteral i.v. medication dose preparation. About 18 months after the implementation of such a system at a large pediatric hospital, a retrospective analysis of dose preparation outcomes was conducted to evaluate the effectiveness of the i.v. workflow manager in detecting compounding errors and to categorize detected errors. In verifying the accuracy of 425,683 medication doses prepared during the approximately 13-month evaluation period, dispensing pharmacists detected preparation or documentation errors affecting 2,900 doses (0.68%); 1,223 of those doses (0.29%) required reworking, and 1,677 (0.4%) were rejected and destroyed. Roughly 23% of the detected errors were classified as undetectable via the pharmacy's previous verification practices, with 167 errors judged to pose the potential for adverse drug events resulting in moderate (n=146) or severe (n=21) harm. Among the reworked and rejected doses, 43.8% and 31.3%, respectively, were due to newly emergent problems not seen with traditional paper-based verification systems; however, most of these errors involved blurry or missing images and were not judged to be clinically significant. Implementation of an i.v. workflow management system that integrates barcode verification, automated calculations, and image-capture capabilities led to increased detection of errors in the sterile product compounding process. Copyright © 2014 by the American Society of Health-System Pharmacists, Inc. All rights reserved.

  3. Physiologically active substances from marine sponges IV: Heterocyclic compounds. (United States)

    Chib, J S; Stempien, M F; Cecil, J T; Ruggieri, G D; Nigrelli, R F


    Several guanidine compounds were synthesized by the reaction of acid chlorides of thiophene and furan with guanidines. Some of these compounds showed antibiotic and cytotoxic activities. Series of pyrrole compounds were synthesized and found to have significant antibiotic activity.

  4. Einstein relation in compound semiconductors and their nanostructures

    CERN Document Server

    Bhattacharya, Sitangshu


    Deals with the Einstein relation in compound semiconductors and their nanostructures. This book considers materials such as nonlinear optical, III-V, ternary, quaternary, II-VI, IV-VI, Bismuth, stressed compounds, quantum wells, quantum wires, nipi structures, carbon nanotubes, heavily doped semiconductors, and inversion layers.

  5. A Gaussian IV estimator of cointegrating relations

    DEFF Research Database (Denmark)

    Bårdsen, Gunnar; Haldrup, Niels


    -nonparametricestimators. Theoretically ideal instruments can be defined to ensure a limitingGaussian distribution of IV estimators, but unfortunately such instruments areunlikely to be found in real data. In the present paper we suggest an IV estimatorwhere the Hodrick-Prescott filtered trends are used as instruments forthe regressors...

  6. Risk factors for i.v. compounding errors when using an automated workflow management system. (United States)

    Deng, Yihong; Lin, Alex C; Hingl, John; Huang, Guixia; Altaye, Mekibib; Maynard, Heather; Mayhaus, Dave; Penm, Jonathan


    Results of a study to determine the frequency of and risk factors for errors in automated compounding of i.v. medication doses at a pediatric hospital are presented. Data compiled by the hospital's automated i.v. compounding workflow management system over a 12-month period were analyzed. A descriptive analysis was conducted to characterize intercepted errors by frequency and type. Multivariate regression analysis via a backward stepwise procedure was performed to identify notable risk factors for i.v. compounding errors. Among the 421,730 i.v. doses evaluated, there were 3,101 documented errors (an overall error rate of 0.74%). The automated system intercepted 72.27% of the errors, mainly those containing an incorrect drug or diluent. The remaining 27.73% of i.v. compounding errors, primarily dose preparation in the wrong volume (21.51%) or damage to the final product (0.93%), were identified during final inspection by a pharmacist. The logistic regression model showed that four factors were significantly (p workflow management system at a large pediatric hospital over one year found an overall rate of detected errors of 0.74%. Four factors were identified as significant predictors of increased error risk. Copyright © 2016 by the American Society of Health-System Pharmacists, Inc. All rights reserved.

  7. Berry and Citrus Phenolic Compounds Inhibit Dipeptidyl Peptidase IV: Implications in Diabetes Management

    Directory of Open Access Journals (Sweden)

    Junfeng Fan


    Full Text Available Beneficial health effects of fruits and vegetables in the diet have been attributed to their high flavonoid content. Dipeptidyl peptidase IV (DPP-IV is a serine aminopeptidase that is a novel target for type 2 diabetes therapy due to its incretin hormone regulatory effects. In this study, well-characterized anthocyanins (ANC isolated from berry wine blends and twenty-seven other phenolic compounds commonly present in citrus, berry, grape, and soybean, were individually investigated for their inhibitory effects on DPP-IV by using a luminescence assay and computational modeling. ANC from blueberry-blackberry wine blends strongly inhibited DPP-IV activity (IC50, 0.07 ± 0.02 to >300 μM. Of the twenty-seven phenolics tested, the most potent DPP-IV inhibitors were resveratrol (IC50, 0.6 ± 0.4 nM, luteolin (0.12 ± 0.01 μM, apigenin (0.14 ± 0.02 μM, and flavone (0.17 ± 0.01 μM, with IC50 values lower than diprotin A (4.21 ± 2.01 μM, a reference standard inhibitory compound. Analyses of computational modeling showed that resveratrol and flavone were competitive inhibitors which could dock directly into all three active sites of DPP-IV, while luteolin and apigenin docked in a noncompetitive manner. Hydrogen bonding was the main binding mode of all tested phenolic compounds with DPP-IV. These results indicate that flavonoids, particularly luteolin, apigenin, and flavone, and the stilbenoid resveratrol can act as naturally occurring DPP-IV inhibitors.

  8. Compound K induces apoptosis via CAMK-IV/AMPK pathways in HT-29 colon cancer cells. (United States)

    Kim, Do Yeon; Park, Min Woo; Yuan, Hai Dan; Lee, Hyo Jung; Kim, Sung Hoon; Chung, Sung Hyun


    Although compound K (CK), an intestinal metabolite of ginseng protopanaxadiol saponins, has been known to induce apoptosis in various cancer cells, association of AMP-activated protein kinase (AMPK) with apoptosis in HT-29 colon cancer cells remains unclear. We hypothesized that CK may exert an anticancer activity through modulating the AMPK pathway in HT-29 cells. CK-induced apoptosis was associated with the disruption of the mitochondrial membrane potential, release of apoptogenic factors (cytochrome c and apoptosis-inducing factor) from mitochondria, and cleavage of caspase-9, caspase-3, caspase-8, Bid, and PARP proteins. This apoptotic effect of CK on colon cancer cells was found to be initiated by AMPK activation, and AMPK was activated through phosphorylation by Ca2+/calmodulin-activated protein kinase-IV (CAMK-IV). Treatment of HT-29 cells with compound C (AMPK inhibitor) or siRNA for AMPK completely abolished the CK-induced apoptosis. STO-609, CAMKs inhibitor, also attenuated CK-induced AMPK activation and apoptosis. In conclusion, the present study demonstrates that CK-mediated cell death of HT-29 colon cancer cells is regulated by CAMK-IV/AMPK pathways, and these findings provide a molecular basis for the anticancer effect of CK.


    Directory of Open Access Journals (Sweden)

    Nidialkova N. А.


    Full Text Available The purpose of the research was to investigate the influence of stanum (IV and germanium (IV coordination compounds on peptidases 1 and 2 of Bacillus thuringiensis var. israelensis ІМV В-7465 activity. The study of coordination compounds effect on peptidase activity was carried out by complexes with the enzymes incubation and residual activity to the collagen, elastin and fibrin determination. It was revealed the regularity in the influence of different structure complex compounds on peptidases of B. thuringiensis var. israelensis ІМV В-7465 activity. The stanum (IV complexes with salicyloylhydrazones of aromatic aldehydes increase collagenase and elastase activities. Substituents replacement in aldehyde fragment of stanum (IV with isonicotinoylhydrazones of aromatic aldehydes complexes by the less polar ones contributed to increase of elastase activity of both enzymes while an absence of substituents enables to increase peptidase 2 fibrinolytic activity. The complexes of germanіum (IV with isonicotinoylhydrazone of salicylic aldehyde which contain Zn and Co, increased collagenase activity of the peptidase 1 as well as elastase and fibrinolytic activities of the peptidase 2. In general, all tested complexes may be considered as peptidase effectors of B. thuringiensis var. israelensis ІМV В-7465. A difference of complexes effect on activities of the both enzymes is due to the characteristics of the structure of coordination compounds.

  10. Methylene Diphenyl Diisocyanate (MDI) And Related Compounds (United States)

    This document addresses the use of methylene diphenyl diisocyanate (MDI) and related compounds (See Appendix 1) in products that may result in consumer and general population exposures, particularly in or around buildings, including homes and schools.

  11. High-efficient thermoelectric materials: The case of orthorhombic IV-VI compounds. (United States)

    Ding, Guangqian; Gao, Guoying; Yao, Kailun


    Improving the thermoelectric efficiency is one of the greatest challenges in materials science. The recent discovery of excellent thermoelectric performance in simple orthorhombic SnSe crystal offers new promise in this prospect [Zhao et al. Nature 508, 373 (2014)]. By calculating the thermoelectric properties of orthorhombic IV-VI compounds GeS,GeSe,SnS, and SnSe based on the first-principles combined with the Boltzmann transport theory, we show that the Seebeck coefficient, electrical conductivity, and thermal conductivity of orthorhombic SnSe are in agreement with the recent experiment. Importantly, GeS, GeSe, and SnS exhibit comparative thermoelectric performance compared to SnSe. Especially, the Seebeck coefficients of GeS, GeSe, and SnS are even larger than that of SnSe under the studied carrier concentration and temperature region. We also use the Cahill's model to estimate the lattice thermal conductivities at the room temperature. The large Seebeck coefficients, high power factors, and low thermal conductivities make these four orthorhombic IV-VI compounds promising candidates for high-efficient thermoelectric materials.

  12. The effect of charged axial ligands on the EPR parameters in oxovanadium(IV) compounds: an unusual reduction of the Az (51V) values. (United States)

    Tolis, E J; Teberekidis, V I; Raptopoulou, C P; Terzis, A; Sigalas, M P; Deligiannakis, Y; Kabanos, T A


    Two series of octahedral oxovanadium(IV) compounds, containing charged or neutral axial ligands, with the tetradentate amidate molecules Hcapca and H2capcah of the general formulae trans-[V(IV)OX(capca)]0/+ (where X = Cl- (1.CH2Cl2), SCN- (2), N3 (3), CH3COO- (4), PhCOO- (5), imidazole (6. CH3NO2), and eta-nBuNH2 (7)) and cis-[V(VI)OX(Hcapcah)]0/+ (where X = Cl- (8.0.5CH2Cl2), SCN (9), N3 (10.2CH3OH), and imidazole (11)), were synthesized and characterized by X-ray crystallography (1.CH3OH,8.CHCl3, 9.2CH3CN, 10.CH3CN and cis-[VO(imidazole)(Hcapcah)+) and continuous-wave electron paramagnetic resonance (cw EPR) spectroscopy. In addition to the synthesis, crystallographic and EPR studies, the optical, infrared and magnetic properties (room temperature) of these compounds are reported. Ab initio calculations were also carried out on compound 8 CHCl3 and revealed that this isomer is more stable than the trans isomer, in good agreement with the experimental data. The cw EPR studies of compounds 1-5, that is, the V(IV)O2+ species containing monoanionic axial ligands, revealed a novel phenomenon of the reduction of their A, components by about 10% relative to the N4 reference compounds ([V(IV)O-(imidazole)4]2+ and [V(IV)O(2,2-bipyridine)2]2+). In marked contrast, such a reduction is not observed in compounds 6. CH3NO2-11, which contain neutral axial ligands. Based on the spin-Hamiltonian formalism a theoretical explanation is put forward according to which the observed reduction of Az is due to a reduction of the electron - nuclear dipolar coupling (P). The present findings bear strong relevance to cw EPR studies of oxovanadium(IV) in vanadoproteins, V(IV)O2+-substituted proteins, and in V(IV)O2+ model compounds, since the hyperfine coupling constant, Az, has been extensively used as a benchmark for identification of equatorial-donor-atom sets in oxovanadium(IV) complexes.

  13. Endocannabinoids, Related Compounds and Their Metabolic Routes

    Directory of Open Access Journals (Sweden)

    Filomena Fezza


    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.

  14. Determination of the solubility of Np(IV), Pu(III) - (VI),Am(III) - (VI), and Te(IV), (V) hydroxo compounds in 0.5 - 14 M NaOH solutions

    Energy Technology Data Exchange (ETDEWEB)

    Delegard, C.H.


    The solubilities of Am(III), Np(IV), Pu(IV), Tc(IV), Np(V), Pu(V), Am(V), and Tc(V) hydroxo compounds were studied in 0.5 to 14 M NaOH solutions at 25{+-}2 {degrees}C. The effects of fluoride, phosphate, carbonate, oxalate, and some other organic complexing agents on the solubilities of Np(IV), Pu(IV), and TC(IV) hydroxides were investigated at 1.0 and 4.0 M NAOH. Some predictions were made on the dissolved (I.V) and (V) species present in alkali solutions.


    Directory of Open Access Journals (Sweden)

    I. I. Seifullina


    Full Text Available Reaction of tin tetrachloride in a 2-propanol solution and 2-(7-bromo-2-oxo-5-phenyl-3H- 1,4-benzodiazepin-1-ylacetohydrazide (“gidazepam”, hydazepam – HHy made it possible to obtain for the first time the corresponding tin coordination compound [Sn(HHyCl4] (I. A synthetic technique of the template synthesis has been developed and a novel coordination compounds [Sn(HHySlCl3] (II, [Sn(HHySlNO2Cl3] (III, [Sn(HHy2NfCl3] (IV, [Sn(HHy2NfBrCl3] (V in the systems HHy–(HSl, HSlNO2, H2Nf, H2NfBr–SnCl4–2-propanol, where HSl is 2-hydroxybenz-, HSlNO2 – 2-hydroxy-5-nitrobenz-, H2Nf – 1-hydroxy- 2-naphth-, H2NfBr – 4-bromo-1-hydroxy-2-naphth-aldehydes, have been synthesized. They are crystalline substances readily soluble in DMF and acetonitrile and moderately soluble in ethanol. The composition and structure of the complexes were confirmed by a number of physicochemical methods: elemental analysis, electrical conductivity, mass spectrometry, IR spectroscopy and thermogravimetry. The measurement of the electrical conductivity of solutions of the I−V in DMF has shown that they all are non-electrolytes. It was found by the thermogravimetric method that the thermolysis of complexes I−V proceeds uniformly and is stepwise in nature. The presence of peaks of molecular ions of the corresponding hydrazones in the mass spectra of complexes II−V obtained by template synthesis confirmed the formation of these hydrazones and the participation in coordination to the Sn4+ ion in the reaction course. Tin(IV coordination polyhedron in all complexes is the octahedron formed by: four chlorine atoms, the nitrogen atom of the hydrazide amino group and the oxygen atom of the ligand carbonyl group in I; three chlorine atoms, azomethine nitrogen atom and two oxygen atoms of the carbonyl and deprotonated hydroxy group of the ligand in II−V.

  16. Criteria for extending the operation periods of thermoelectric converters based on IV-VI compounds

    Energy Technology Data Exchange (ETDEWEB)

    Sadia, Yatir, E-mail: [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Ohaion-Raz, Tsion [Department of Chemistry, Ben-Gurion University of the Negev, Beer-Sheva (Israel); Ben-Yehuda, Ohad; Korngold, Meidad; Gelbstein, Yaniv [Department of Materials Engineering, Ben-Gurion University of the Negev, Beer-Sheva (Israel)


    The recent energy demands affected by the dilution of conventional energy resources and the growing awareness of environmental considerations, had positioned the research of renewable energy conversion methods in general and of thermoelectric direct conversion of thermal into electrical energies in particular, in the forefront of the currently active applicative sciences. IV-VI thermoelectric compounds (e.g. GeTe, PbTe and SnTe) and their alloys comprise some of the most efficient thermoelectric compositions ever reported. Yet a proper utilization of such materials in practical thermoelectric devices, still requires an overcoming the so-called technological “valley of death”, including among others, transport properties' degradation, due to sublimation of volatile Te rich species, while being subjected to elevated temperatures for long periods of time. In an attempt to establish practical operation criteria for extending the operation periods of such thermoelectric converters, it is currently shown based on thermal gravimetric and metallurgical considerations that such harmful sublimation can be practically bridged over by limiting the maximal operating temperatures to the 410–430 °C range for GeTe rich alloys and to 510–530 °C for PbTe and SnTe rich alloys, depending of the thermoelectric leg's diameter. - Graphical abstract: Evaporation rate in the GeTe and PbTe system showing the measured evaporation rates and the maximal operating temperatures for different compositions. In addition, the microstructure after evaporation is shown for PbTe, TAGS-85, and doped Pb{sub 0.13}Ge{sub 087}Te. Display Omitted - Highlights: • Evaporation rates of GeTe and PbTe based thermoelectric compounds were determined. • A criterion for their maximum operating temperature was established. • The materials showed phase separations and off-stoichiometry compositions.

  17. Model investigations for vanadium-protein interactions: vanadium(III) compounds with dipeptides and their oxovanadium(IV) analogues. (United States)

    Tasiopoulos, Anastasios J; Tolis, Evangelos J; Tsangaris, John M; Evangelou, Angelos; Woollins, DerekJ; Slawin, Alexandra M Z; Pessoa, Costa; Correia, Isabel; Kabanos, Themistoklis A


    The reaction of VCl(3) with 1,10-phenanthroline and a series of dipeptides (H(2)dip), having aliphatic as well as aromatic side chains, in methyl alcohol and in the presence of triethylamine affords vanadium(III) compounds of the general formula [V(III)(dip)(MeOH)(phen)]Cl. Aerial oxidation/hydrolysis of the vanadium(III) species gives their oxovanadium(IV) analogues of the general formula [V(IV)O(dip)(phen)]. X-ray crystallographic characterization of the [V(IV)O(dip)(phen)] compounds (where dip(2-)=Gly- L-Ala, Gly- L-Val and Gly- L-Phe) revealed that the vanadium atom possesses a severely distorted octahedral coordination and is ligated to a tridentate dip(2-) ligand at the N(amine) atom, the deprotonated N(peptide) atom and one of the O(carboxylate) atoms, as well as an oxo group and two phenanthroline nitrogen atoms. Circular dichroism characterization of the V(III)/V(IV)O(2+)-dipeptide compounds revealed a strong signal for the V(IV)O(2+) species in the visible range of the spectrum, with a characteristic pattern which may be exploited to identify the N(am), N(pep) and O(car) ligation of a peptide or a protein to V(IV)O(2+) center, and a weak Cotton effect of opposite sign to their vanadium(III) analogues. The visible spectra of the V(III)-dipeptide compounds revealed two d-d bands with high intensity, thus indicating that the covalency of the metal-donor atoms is significant, i.e. the vanadium d orbitals are significantly mixed with the ligand orbitals, and this is confirmed by the low values of their Racah B parameters. The high-intensity band of the V(IV)O(2+)-dipeptide compounds at approximately 460 nm implies also a strong covalency of the metal with the equatorial donor atoms and this was supported by the EPR spectra of these compounds. Moreover, the V(III)/V(IV)O(2+)-dipeptide complexes were characterized by EPR and IR spectroscopies as well as conductivity and magnetic susceptibility measurements.

  18. Developments in Synthetic Application of Selenium(IV Oxide and Organoselenium Compounds as Oxygen Donors and Oxygen-Transfer Agents

    Directory of Open Access Journals (Sweden)

    Jacek Młochowski


    Full Text Available A variety of selenium compounds were proven to be useful reagents and catalysts for organic synthesis over the past several decades. The most interesting aspect, which emerged in recent years, concerns application of hydroperoxide/selenium(IV oxide and hydroperoxide/organoselenium catalyst systems, as “green reagents” for the oxidation of different organic functional groups. The topic of oxidations catalyzed by organoselenium derivatives has rapidly expanded in the last fifteen years This paper is devoted to the synthetic applications of the oxidation reactions mediated by selenium compounds such as selenium(IV oxide, areneseleninic acids, their anhydrides, selenides, diselenides, benzisoselenazol-3(2H-ones and other less often used other organoselenium compounds. All these compounds have been successfully applied for various oxidations useful in practical organic syntheses such as epoxidation, 1,2-dihydroxylation, and α-oxyfunctionalization of alkenes, as well as for ring contraction of cycloalkanones, conversion of halomethyl, hydroxymethyl or active methylene groups into formyl groups, oxidation of carbonyl compounds into carboxylic acids and/or lactones, sulfides into sulfoxides, and secondary amines into nitrones and regeneration of parent carbonyl compounds from their azomethine derivatives. Other reactions such as dehydrogenation and aromatization, active carbon-carbon bond cleavage, oxidative amidation, bromolactonization and oxidation of bromide for subsequent reactions with alkenes are also successfully mediated by selenium (IV oxide or organoselenium compounds. The oxidation mechanisms of ionic or free radical character depending on the substrate and oxidant are discussed. Coverage of the literature up to early 2015 is provided. Links have been made to reviews that summarize earlier literature and to the methods of preparation of organoselenium reagents and catalysts.

  19. Developments in Synthetic Application of Selenium(IV) Oxide and Organoselenium Compounds as Oxygen Donors and Oxygen-Transfer Agents. (United States)

    Młochowski, Jacek; Wójtowicz-Młochowska, Halina


    A variety of selenium compounds were proven to be useful reagents and catalysts for organic synthesis over the past several decades. The most interesting aspect, which emerged in recent years, concerns application of hydroperoxide/selenium(IV) oxide and hydroperoxide/organoselenium catalyst systems, as "green reagents" for the oxidation of different organic functional groups. The topic of oxidations catalyzed by organoselenium derivatives has rapidly expanded in the last fifteen years This paper is devoted to the synthetic applications of the oxidation reactions mediated by selenium compounds such as selenium(IV) oxide, areneseleninic acids, their anhydrides, selenides, diselenides, benzisoselenazol-3(2H)-ones and other less often used other organoselenium compounds. All these compounds have been successfully applied for various oxidations useful in practical organic syntheses such as epoxidation, 1,2-dihydroxylation, and α-oxyfunctionalization of alkenes, as well as for ring contraction of cycloalkanones, conversion of halomethyl, hydroxymethyl or active methylene groups into formyl groups, oxidation of carbonyl compounds into carboxylic acids and/or lactones, sulfides into sulfoxides, and secondary amines into nitrones and regeneration of parent carbonyl compounds from their azomethine derivatives. Other reactions such as dehydrogenation and aromatization, active carbon-carbon bond cleavage, oxidative amidation, bromolactonization and oxidation of bromide for subsequent reactions with alkenes are also successfully mediated by selenium (IV) oxide or organoselenium compounds. The oxidation mechanisms of ionic or free radical character depending on the substrate and oxidant are discussed. Coverage of the literature up to early 2015 is provided. Links have been made to reviews that summarize earlier literature and to the methods of preparation of organoselenium reagents and catalysts.

  20. Group IV Mixed Sandwich Compounds: Synthesis of Pentamethylcyclopentadienyl-Titanium, -Zirconium and -Hafnium Cycloheptatrienyl and Cyclooctatetraene Complexes


    BLENKERS, J; Bruin, P. de; Teuben, J.H.


    The first complete series of Group IV sandwich complexes Cp*MCHT (M = Ti, Zr, Hf) (Cp* = η5-C5Me5, CHT = η7-C7H7) has been made and characterized. Cp*HfCHT is the first reported sandwich compound of hafnium. The d1, η8-C8H8(COT) complex Cp*MCOT were also synthesised similarly for M = Ti, Zr, but the complexes with M = Hf was not obtained; the failure to obtain Cp*HfCOT is ascribed to kinetic factors. Cp*ZrCOT is the first thermally-stable paramagnetic organozirconium(III) compound isolated in...

  1. First principles calculation of material properties of group IV elements and III-V compounds (United States)

    Malone, Brad Dean

    This thesis presents first principles calculations on the properties of group IV elements and group III-V compounds. It includes investigations into what structure a material is likely to form in, and given that structure, what are its electronic, optical, and lattice dynamical properties as well as what are the properties of defects that might be introduced into the sample. The thesis is divided as follows: • Chapter 1 contains some of the conceptual foundations used in the present work. These involve the major approximations which allow us to approach the problem of systems with huge numbers of interacting electrons and atomic cores. • Then, in Chapter 2, we discuss one of the major limitations to the DFT formalism introduced in Chapter 1, namely its inability to predict the quasiparticle spectra of materials and in particular the band gap of a semiconductor. We introduce a Green's function approach to the electron self-energy Sigma known as the GW approximation and use it to compute the quasiparticle band structures of a number of group IV and III-V semiconductors. • In Chapter 3 we present a first-principles study of a number of high-pressure metastable phases of Si with tetrahedral bonding. The phases studied include all experimentally determined phases that result from decompression from the metallic beta-Sn phase, specifically the BC8 (Si-III), hexagonal diamond (Si-IV), and R8 (Si-XII). In addition to these, we also study the hypothetical ST12 structure found upon decompression from beta-Sn in germanium. • Our attention is then turned to the first principles calculations of optical properties in Chapter 4. The Bethe-Salpeter equation is then solved to obtain the optical spectrum of this material including electron-hole interactions. The calculated optical spectrum is compared with experimental data for other forms of silicon commonly used in photovoltaic devices, namely the cubic, polycrystalline, and amorphous forms. • In Chapter 5 we present

  2. Studies in group IV organometallic chemistry XIII. Organometallic compounds with five metal atoms in neopentane configuration

    NARCIS (Netherlands)

    Willemsens, L.C.; Kerk, G.J.M. van der

    The preparation of stable, crystalline compounds of the type (Ph3M)4M′ is described. They are obtainable according to the following reaction equation: (Ph3M)4M′ The compounds with M′ = Pb are obtained as follows: Lead compounds are prepared most easily; (PhsGe)4M′ could not be obtained.

  3. Neighboring Group Participation in Solvolysis of Organosulfur and Related Compounds (United States)


    OF REPORT & PERIOD COVERED Neighboring Group Participation in Solvolysis 1 Sep 82 - 31 Aug 85 of Organosulfur and Related Compounds Final Report 6...KEY WORDS (Continue on reveree side It neceeary and Identify by block number) Solvolysis Organosulfur Sulfur Compounds Oxygen Compounds 2 0. A9SrWAcr...Participation in Solvolysis of Organosulfur and Related Compounds Duration of project: September 1, 1982 - August 31, 1985 Personnel: 1) David E. Knox

  4. Stability enhancement and electronic tunability of two-dimensional SbIV compounds via surface functionalization (United States)

    Zhou, Wenhan; Guo, Shiying; Liu, Xuhai; Cai, Bo; Song, Xiufeng; Zhu, Zhen; Zhang, Shengli


    We propose a family of hydrogenated- and halogenated-SbIV (SbIVX-2) materials that simultaneously have two-dimensional (2D) structures, high stability and appealing electronic properties. Based on first-principles total-energy and vibrational-spectra calculations, SbIVX-2 monolayers are found both thermally and dynamically stable. Varying IV and X elements can rationally tune the electronic properties of SbIVX-2 monolayers, effectively modulating the band gap from 0 to 3.42 eV. Regarding such superior stability and broad band-gap range, SbIVX-2 monolayers are expected to be synthesized in experiments and taken as promising candidates for low-dimensional electronic and optoelectronic devices, such as blue-to-ultraviolet light-emitting diodes (LED) and photodetectors.


    Directory of Open Access Journals (Sweden)

    Maria Cocu


    Full Text Available We have investigated the properties as dyes of coordination compounds synthesized by us previously (8-(1',2'-naphthyl-1-R-3-methyl-6-thiomethyl-4,5,7-triazanona-1,3,5,7-tetraenato-1,1'-diolato(--O1, O1', N4, N7-vanadil, where R=CH3 (1 , C6H5 (2, which can be used for colouring thermoplastic masses. The compounds have a high photostability (7 points, thermostability (>250° and an intensity of colour that give a low consumption (0.006-0.010g.

  6. 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


    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.

  7. Hydrophobicity of carbohydrates and related hydroxy compounds. (United States)

    Buttersack, Christoph


    The hydrophobic interaction of carbohydrates and other hydroxy compounds with a C18-modified silica gel column was measured with pure water as eluent, thereby expanding the range of measurements already published. The interaction is augmented by structure strengthening salts and decreasing temperature. Although the interaction of the solute with the hydrophobic interface is expected to only imperfectly reflect its state in aqueous bulk solution, the retention can be correlated to hydration numbers calculated from molecular mechanics studies given in the literature. No correlation can be established towards published hydration numbers obtained by physical methods (isentropic compressibility, O-17 NMR relaxation, terahertz spectroscopy, and viscosity). The hydrophobicity is discussed with respect to the chemical structure. It increases with the fraction and size of hydrophobic molecular surface regions. Copyright © 2017 Elsevier Ltd. All rights reserved.

  8. 1.1.3. Substitution on Re(IV complexes: a tool for the synthesis of novel mono- and polynuclear compounds

    Directory of Open Access Journals (Sweden)

    Carlos Kremer


    Full Text Available Rhenium(IV complexes are relatively scarce if compared with those of other oxidation states as Re(V or Re(VII. It is a 5d3 ion, and usually forms octahedral complexes which are reasonably stable against redox processes and inert to ligand substitution. This is the basis for the preparation of mononuclear species that can act as ligands towards other transition metal ions. For example, complexes containing dicarboxylic ligands, [ReX4(ox]2–and [ReX4(mal]2– (X = Cl, Br; ox = oxalato; mal = malonato, or N-donor ligands, [ReCl5(pyz]– (pyz = pyrazine have been used as building blocks to construct heteropolynuclear complexes. The different synthetic routes, as well as the designed structures, from discrete binuclear complexes to extended chain-like compounds, are reviewed in this contribution.

  9. Stage IV work-hardening related to disorientations in dislocation structures

    DEFF Research Database (Denmark)

    Pantleon, W.


    The effect of deformation-induced disorientations on the work-hardening of metals is modelled based on dislocation dynamics. Essentially, Kocks’ dislocation model describing stage III hardening is extended to stage IV by incorporation of excess dislocations related to the disorientations...

  10. Involvement of 5f-orbitals in the bonding and reactivity of organoactinide compounds: thorium(IV) and uranium(IV) bis (hydrazonato) complexes

    Energy Technology Data Exchange (ETDEWEB)

    Cantat, Thibault [Los Alamos National Laboratory; Graves, Christopher R [Los Alamos National Laboratory; Morris, David E [Los Alamos National Laboratory; Kiplinger, Jaqueline L [Los Alamos National Laboratory


    of the group 4 metal and actinide complexes does not arise on thermodynamic grounds but is primarily of kinetic origin. Unfavorable steric factors have been ruled out as the sole influence to explain these different behaviors, and electronic factors were shown to govern the reactivity. For the actinides, both the C5H5 and more realistic C5Me5 ligands have been taken into account in computing the energy surface. The reaction profile for the C5Me5 system differs from that with the C5H5 ligand by a uniform shift of 5 kcal/mol in the relative energies of the transition state and products. The insertion of a second diazoalkane molecule into the sole metal-carbon bond in the mono(hydrazonato) complexes involves a high energy barrier (20 kcal/mol) for the zirconium(IV) system, whereas the actinides can facilitate the approach of the diazoalkane by coordination (formation of an adduct) and its insertion into the An-C bond with a very low barrier on the potential energy surface.

  11. Raman spectra of Cu{sub 2}B{sup II}C{sup IV}X{sub 4}{sup VI} magnetic quaternary semiconductor compounds with tetragonal stannite type structure

    Energy Technology Data Exchange (ETDEWEB)

    Rincón, C., E-mail:; Quintero, M.; Power, Ch.; Moreno, E.; Quintero, E.; Morocoima, M. [Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida (Venezuela, Bolivarian Republic of); Henao, J. A.; Macías, M. A. [Grupo de Investigación en Química Estructural, Facultad de Ciencias, Escuela de Química, Universidad Industrial de Santander, Apartado Aéreo 678, Bucaramanga (Colombia)


    A comparative study of the Raman spectra of Cu{sub 2}B{sup II}C{sup IV}S{sub 4}{sup VI} and Cu{sub 2}B{sup II}C{sup IV}Se{sub 4}{sup VI}(where B = Mn or Fe) magnetic quaternary semiconductor compounds with stannite-type structure (I4{sup ¯}2m) has been done. Most of the fourteen Raman lines expected for these materials were observed in the spectra. The two strongest lines observed have been assigned to the IR inactive A{sub 1}{sup 1} and A{sub 1}{sup 2} stannite modes that originated from the motion of the S or Se anion around the Cu and C{sup IV} cations remaining at rest. The shift in the frequency of these two lines of about 150 cm{sup −1} to lower energies observed in Cu{sub 2}B{sup II}C{sup IV}Se{sub 4}{sup VI} compounds as compared to those in Cu{sub 2}B{sup II}C{sup IV}S{sub 4}{sup VI} ones, can then be explained as due to the anion mass effect. Based on the fact that values of these frequencies depend mainly on anion mass and bond-stretching forces between nearest-neighbor atoms, the vibrational frequencies v{sup ¯}(A{sub 1}{sup 2}) and v{sup ¯}(A{sub 1}{sup 2}) of both modes for several Cu{sub 2}B{sup II}C{sup IV}X{sub 4}{sup VI} stannite compounds (where X = S, Se, or Te) very close to the experimental data reported for these materials were calculated from a simple model that relates these stretching forces to the anion-cation bond-distances.

  12. Crystal and phonon structure of ZnSiP{sub 2}, a II-IV-V{sub 2} semiconducting compound

    Energy Technology Data Exchange (ETDEWEB)

    Pena-Pedraza, H., E-mail: [Departamento de Fisica, Universidad de Pamplona, Pamplona 54518000 (Colombia); Lopez-Rivera, S.A.; Martin, J.M. [Laboratorio de Fisica Aplicada, ULA, Merida 5101 (Venezuela, Bolivarian Republic of); Delgado, J.M. [Laboratorio de Cristalografia, ULA, Merida 5101 (Venezuela, Bolivarian Republic of); Power, Ch. [Centro de Estudios en Semiconductores, ULA, Merida 5101 (Venezuela, Bolivarian Republic of)


    Using single-crystal X-ray diffraction and Raman spectroscopy, the characterization of a member of the II-IV-V{sub 2} family of semiconducting compounds, ZnSiP{sub 2}, is presented in this work. The diffraction experiment showed that ZnSiP{sub 2} crystallizes in a chalcopyrite-type of structure (space group: I4{sup Macron }2d) with unit cell parameters a = 5.407(9) Angstrom-Sign and c = 10.454(2) Angstrom-Sign . The structure is based on a cubic close-packed arrangement of phosphorus atoms with the two cations in an orderly way occupying one-half of the tetrahedral sites. In this structure, two Zn and two Si are bonded to each phosphorus atom and four phosphorus atoms are bonded to each cation. The results obtained are consistent with previous reports. Raman spectroscopy, Group Theory, and a modified correlation method allowed the assignment of the characteristics of the thirteen first-order Raman active optical vibrational modes observed for this material.

  13. In vitro transcription of compound heterozygous hypofibrinogenemia Matsumoto IX; first identification of FGB IVS6 deletion of 4 nucleotides and FGG IVS3-2A>G causing abnormal RNA splicing. (United States)

    Terasawa, Fumiko; Kamijyo, Yuka; Fujihara, Noriko; Yamauchi, Kazuyoshi; Kumagai, Toshiko; Honda, Takayuki; Shigematsu, Satoshi; Okumura, Nobuo


    We reported a case of hypofibrinogenemia Matsumoto IX (M IX) caused by a novel compound heterozygous mutation involving an FGB IVS6 deletion of 4 nucleotides (Delta4b) (three T, one G; between FGB IVS6-10 and -16) and FGG IVS3-2A/G, which are both identified for the first time. To examine the transcription of mRNA from the M IX gene, we cloned the wild-type and mutant genes into expression vectors. The vectors were transfected into CHO cells and transiently produced wild-type, Bbeta- or gamma-mRNA in the cells. The mRNAs amplified with RT-PCR were analyzed by agarose gel electrophoresis and nucleotide sequencing. The RT-PCR product from FGB IVS6Delta4b showed aberrant mRNA that included both introns 6 and 7, and that from FGG IVS3-2G showed two aberrant mRNAs, a major one including intron 3 and a minor in which intron 3 was spliced by a cryptic splice site in exon 4. We speculated that the aberrant mRNAs are degraded before translation into proteins, and/or translated variant chains are subjected to quality control and degraded in the cytoplasm. The reduced plasma fibrinogen level of the M IX patient was caused by abnormal RNA splicing of one or both of the FGB and FGG genes. Copyright 2010 Elsevier B.V. All rights reserved.

  14. Microorganisms for efficient production of melatonin and related compounds

    DEFF Research Database (Denmark)


    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,...

  15. The Thermodynamics of the Krebs Cycle and Related Compounds (United States)

    Miller, Stanley L.; Smith-Magowan, David


    A survey is made of the enthalpies of formation, third law entropies and Gibbs energies available for Krebs cycle and related compounds. These include formate, acetate, succinate, fumarate, glycine, alanine, aspartate and glutamate. The potential of the NAD+/NADH couple is recalculated based on the ethanol/acetaldehyde and isopropanol/acetone equilibria. The reported enzyme catalyzed equilibrium constants of the Krebs cycle reactions are evaluated with estimated errors. These 28 equilibria form a network of reactions that is solved by a least squares regression procedure giving Gibbs energies of formation for 21 Krebs cycle and related compounds. They appear to be accurate to ±0.4 kJṡmol-1 for some compounds but ±1 kJṡmol-1 in less favorable cases. This procedure indicates which third law ΔfG and enzyme equilibria are inaccurate, and allows very accurate ΔfG to be determined for compounds related to the Krebs cycle by measuring enzyme equilibrium constants.

  16. Nematicidal Activity of Cassia and Cinnamon Oil Compounds and Related Compounds toward Bursaphelenchus xylophilus (Nematoda: Parasitaphelenchidae) (United States)

    Kong, Jeong-Ok; Lee, Sang-Myung; Moon, Yil-Seong; Lee, Sang-Gil; Ahn, Young-Joon


    The nematicidal activity of two cassia, Cinnamomum cassia, oils (Especial and true), four cinnamon, Cinnamomum zey-lanicum, oils (technical, #500, bark and green leaf), and their compounds (e.g., trans-cinnamaldehyde and trans-cinnamic acid) toward adult Bursaphelenchus xylophilus was examined by a direct contact bioassay. Results were compared with those of 34 related compounds. As judged by 24-hour LC50 values, two cassia oils (0.084–0.085 mg/ml) and four cinnamon oils (0.064–0.113 mg/ml) were toxic toward adult B. xylophilus. Of 45 test compounds, trans-cinnamaldehyde (0.061 mg/ml) was the most active nematicide, followed by ethyl cinnamate, α-methyl-trans-cinnamaldehyde, methyl cinnamate and allyl cinnamate (0.114–0.195 mg/ml). Potent nematicidal activity was also observed with 4-methoxycinnamonitrile, trans-4-methoxycinnamaldehyde, trans-2-methoxy-cinnamaldehyde, ethyl α-cyanocinnamate, cinnamonitrile and cinnamyl bromide (0.224–0.502 mg/ml). Structure-activity relationships indicate that structural characteristics, such as types of functional groups, saturation and carbon skeleton, appear to play a role in determining the toxicities to adult B. xylophilus. Cassia and cinnamon oils and test compounds described merit further study as potential nematicides or leads for the control of pine wilt disease caused by B. xylophilus. PMID:19259472

  17. Expanding the family of heteroleptic oxidovanadium(IV) compounds with salicylaldehyde semicarbazones and polypyridyl ligands showing anti-Trypanosoma cruzi activity. (United States)

    Scalese, Gonzalo; Benítez, Julio; Rostán, Santiago; Correia, Isabel; Bradford, Lara; Vieites, Marisol; Minini, Lucía; Merlino, Alicia; Coitiño, E Laura; Birriel, Estefania; Varela, Javier; Cerecetto, Hugo; González, Mercedes; Pessoa, João Costa; Gambino, Dinorah


    Searching for prospective vanadium-based drugs for the treatment of Chagas disease, a new series of heteroleptic [V(IV)O(L-2H)(NN)] compounds was developed by including the lipophilic 3,4,7,8-tetramethyl-1,10-phenanthroline (tmp) NN ligand and seven tridentate salicylaldehyde semicarbazone derivatives (L1-L7). The compounds were characterized in the solid state and in solution. EPR spectroscopy suggests that the NN ligand is bidentate bound through both nitrogen donor atoms in an axial-equatorial mode. The EPR and (51)V-NMR spectra of aerated solutions at room temperature indicate that the compounds are stable to hydrolysis and that no significant oxidation of V(IV) to V(V) takes place at least in 24h. The complexes are more active in vitro against Trypanosoma cruzi, the parasite responsible for Chagas disease, than the reference drug Nifurtimox and most of them are more active than previously reported [V(IV)O(L-2H)(NN)] complexes of other NN co-ligands. Selectivity towards the parasite was analyzed using J-774 murine macrophages as mammalian cell model. Due to both, high activity and high selectivity, L2, L4, L5 and L7 complexes could be considered new hits for further drug development. Lipophilicity probably plays a relevant role in the bioactivity of the new compounds. The [V(IV)O(L-2H)(NN)] compounds were designed aiming DNA as potential molecular target. Therefore, the novel L1-L7 tmp complexes were screened by computational modeling, comparing their DNA-binding features with those of previously reported [V(IV)O(L-2H)(NN)] compounds with different NN co-ligands. Whereas all the complexes interact well with DNA, with binding modes and strength tuned in different extents by the NN and semicarbazone co-ligands, molecular docking suggests that the observed anti-T. cruzi activity cannot be explained upon DNA intercalation as the sole mechanism of action. Copyright © 2015 Elsevier Inc. All rights reserved.

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

    KAUST Repository

    Figueira, Flávio


    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.

  19. Polymers containing borane or carborane cage compounds and related applications (United States)

    Bowen, III, Daniel E; Eastwood, Eric A


    Polymers comprising residues of cage compound monomers having at least one polyalkoxy silyl substituent are provided. The cage compound monomers are selected from borane cage compound monomers comprising at least 7 cage atoms and/or carborane cage compound monomers comprising 7 to 11 cage compound monomers. Such polymers can further comprise one or more reactive matrices and/or co-monomers covalently bound with the cage compound monomer residues. Articles of manufacture comprising such polymers are also disclosed.

  20. Biological remediation of explosives and related nitroaromatic compounds. (United States)

    Snellinx, Zita; Nepovím, Ales; Taghavi, Safieh; Vangronsveld, Jaco; Vanek, Tomás; van der Lelie, Daniël


    Nitroaromatics form an important group of recalcitrant xenobiotics. Only few aromatic compounds, bearing one nitro group as a substituent of the aromatic ring, are produced as secondary metabolites by microorganisms. The majority of nitroaromatic compounds in the biosphere are industrial chemicals such as explosives, dyes, polyurethane foams, herbicides, insecticides and solvents. These compounds are generally recalcitrant to biological treatment and remain in the biosphere, where they constitute a source of pollution due to both toxic and mutagenic effects on humans, fish, algae and microorganisms. However, relatively few microorganisms have been described as being able to use nitroaromatic compounds as nitrogen and/or carbon and energy source. The best-known nitroaromatic compound is the explosive TNT (2,4,6-trinitrotoluene). This article reviews the bioremediation strategies for TNT-contaminated soil and water. It comes to the following conclusion: The optimal remediation strategy for nitroaromatic compounds depends on many site-specific factors. Composting and the use of reactor systems lend themselves to treating soils contaminated with high levels of explosives (e.g. at former ammunition production facilities, where areas with a high contamination level are common). Compared to composting systems, bioreactors have the major advantage of a short treatment time, but the disadvantage of being more labour intensive and more expensive. Studies indicate that biological treatment systems, which are based on the activity of the fungus Phanerochaete chrysosporium or on Pseudomonas sp. ST53, might be used as effective methods for the remediation of highly contaminated soil and water. Phytoremediation, although not widely used now, has the potential to become an important strategy for the remediation of soil and water contaminated with explosives. It is best suited where contaminant levels are low (e.g. at military sites where pollution is rather diffuse) and where

  1. Intergenerational Childhood Maltreatment in Persons with DSM-IV Pathological Gambling and their First-degree Relatives


    Shultz, Samuel K.; Shaw, Martha; McCormick, Brett; Allen, Jeff; Black, Donald W.


    This study investigates the characteristics of individuals with DSM-IV pathological gambling (PG) who experienced childhood maltreatment and rates of maltreatment occurring in their first-degree relatives (FDRs). 94 subjects with DSM-IV PG, 91 controls, and 312 first-degree relatives (FDRs) were assessed for childhood maltreatment as part of a family study of PG. Maltreatment was evaluated using the Revised Childhood Experiences Questionnaire. The Family Assessment Device was used to evaluate...

  2. Spectroscopic Studies On Some Methylphosphonothioic Diamides And Related Compounds


    Ibrahim, E. H. M. [عز الدين حرب محمد ابراهيم; Nour, E. M.; Alnaimi, I. S.


    A series of methylphosphonothioic diamides MrP (S) (NHR)., ( R = Mr, pr' and Bu') and some related compounds viz, PhP(S)(NHBu)a ,P1^P(S) ( NHCHJ'h ) arc preparpd and their infrared, n.m.r. and mass spectra arc- recorded. The V(P=S), M(P—C) and V(P—N) values are determined in each case and indicate very little effect of the substituents on these bond vibrations. On the bases of 'H, ^C and ^P n.m.r. spectroscopic data it was shown that the spectra of all diamides agree with the expected structu...

  3. Mechanistic Physiologically Based Pharmacokinetic Modeling of the Dissolution and Food Effect of a Biopharmaceutics Classification System IV Compound-The Venetoclax Story. (United States)

    Emami Riedmaier, Arian; Lindley, David J; Hall, Jeffrey A; Castleberry, Steven; Slade, Russell T; Stuart, Patricia; Carr, Robert A; Borchardt, Thomas B; Bow, Daniel A J; Nijsen, Marjoleen


    Venetoclax, a selective B-cell lymphoma-2 inhibitor, is a biopharmaceutics classification system class IV compound. The aim of this study was to develop a physiologically based pharmacokinetic (PBPK) model to mechanistically describe absorption and disposition of an amorphous solid dispersion formulation of venetoclax in humans. A mechanistic PBPK model was developed incorporating measured amorphous solubility, dissolution, metabolism, and plasma protein binding. A middle-out approach was used to define permeability. Model predictions of oral venetoclax pharmacokinetics were verified against clinical studies of fed and fasted healthy volunteers, and clinical drug interaction studies with strong CYP3A inhibitor (ketoconazole) and inducer (rifampicin). Model verification demonstrated accurate prediction of the observed food effect following a low-fat diet. Ratios of predicted versus observed C max and area under the curve of venetoclax were within 0.8- to 1.25-fold of observed ratios for strong CYP3A inhibitor and inducer interactions, indicating that the venetoclax elimination pathway was correctly specified. The verified venetoclax PBPK model is one of the first examples mechanistically capturing absorption, food effect, and exposure of an amorphous solid dispersion formulated compound. This model allows evaluation of untested drug-drug interactions, especially those primarily occurring in the intestine, and paves the way for future modeling of biopharmaceutics classification system IV compounds. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

  4. Compound

    Indian Academy of Sciences (India)

    UV-vis spectra showing solvent effects on compounds (6). Figure S4. UV-vis spectra showing solvent effects on compounds (9). Figure S5. UV-vis spectra showing solvent ___, acidic--- and basic -□- effects on compound (8) in CH2Cl2 solution. Table S1. 1H and 13C NMR spectral data of salicylaldimine Schiff bases (5-8).

  5. Studies in group IV organometallic chemistry XXX. Synthesis of compounds containing tin---titanium and tin---zirconium bonds

    NARCIS (Netherlands)

    Creemers, H.M.J.C.; Verbeek, F.; Noltes, J.G.


    Starting from the tetrakis(diethylamino) derivatives of titanium and zirconium and pheyltin hydrides six intermetalic compounds contianing up to nine tin and titanium(or zirconium) atoms have been obtained by hydrostannolysis type reactions.

  6. Bioactive compounds from culinary herbs inhibit a molecular target for type 2 diabetes management, dipeptidyl peptidase IV (United States)

    Greek oregano (Origanum vulgare), marjoram (Origanum majorana), rosemary (Rosmarinus officinalis) and Mexican oregano (Lippia graveolens) are concentrated sources of bioactive compounds. The aims of this study were to characterize extracts from greenhouse grown or commercially purchased herbs for th...

  7. Reduction of Thyroxine and Related Compounds on Silver. (United States)


    limiting currents at various rotation rates and the Levich equation p14’. Data were obtained at a scan rate of 10 mV s-I and the value of the diffusion...the Levich Equation for Reduction of TOl 0.1N NI w/ rpm w 1/2 IA 2500 16.18 83 8.0 1600 12.94 68 8.2 p900 9.71 51 8.2 400 6.47 35 8.5 A =0. 442 cm2 V...Ai45 072 REDUCTION OF THYROXINE RND RELATED COMPOUNDS ON SILVER i/I (U) STATE UNIV OF NEW YORK AT BUFFALO DEPT OF CHEMISTRY M IWAMOTO ET AL. APR 84

  8. Synthesis and crystal structure of Fe[(Te1.5Se0.5)O5]Cl, the first iron compound with selenate(IV) and tellurate(IV) groups (United States)

    Akhrorov, Akhmad Yu; Kuznetsova, Elena S.; Aksenov, Sergey M.; Berdonosov, Peter S.; Kuznetsov, Alexey N.; Dolgikh, Valery A.


    During the search for selenium analogues of FeTe2O5Cl, the new iron (III) tellurate(IV) selenate(IV) chloride with the composition Fe[(Te1.5Se0.5)O5]Cl was synthesized by chemical vapor transport (CVT) reaction and characterized by TGA-, EDX-,SCXRD-analysis, as well as IR and Raman spectroscopy. It was found that Fe[(Te1.5Se0.5)O5]Cl crystallizes in the monoclinic space group P21/c with unitcell parameters a = 5.183(3) Å, b = 15.521(9) Å, c = 7.128(5) Å and β = 107.16(1)°. The crystal structure of Fe[(Te1.5Se0.5)O5]Cl represents a new structure type and contains electroneutral heteropolyhedral layers formed by dimers of the [FeO5Cl]8- octahedra, linked via common O-O edges, and mixed [Te3SeO10]4- tetramers. Adjacent layers are stacked along the b axis and linked by weak residual bonds. The new compound is stable up to 420 °C. DFT calculations predict Fe[(Te1.5Se0.5)O5]Cl to be a wide-gap semiconductor with the band gap of ca. 2.7 eV.

  9. Characterization of toluene and ethylbenzene biodegradation under nitrate-, iron(III)- and manganese(IV)-reducing conditions by compound-specific isotope analysis. (United States)

    Dorer, Conrad; Vogt, Carsten; Neu, Thomas R; Stryhanyuk, Hryhoriy; Richnow, Hans-Hermann


    Ethylbenzene and toluene degradation under nitrate-, Mn(IV)-, or Fe(III)-reducing conditions was investigated by compound specific stable isotope analysis (CSIA) using three model cultures (Aromatoleum aromaticum EbN1, Georgfuchsia toluolica G5G6, and a Azoarcus-dominated mixed culture). Systematically lower isotope enrichment factors for carbon and hydrogen were observed for particulate Mn(IV). The increasing diffusion distances of toluene or ethylbenzene to the solid Mn(IV) most likely caused limited bioavailability and hence resulted in the observed masking effect. The data suggests further ethylbenzene hydroxylation by ethylbenzene dehydrogenase (EBDH) and toluene activation by benzylsuccinate synthase (BSS) as initial activation steps. Notably, significantly different values in dual isotope analysis were detected for toluene degradation by G. toluolica under the three studied redox conditions, suggesting variations in the enzymatic transition state depending on the available TEA. The results indicate that two-dimensional CSIA has significant potential to assess anaerobic biodegradation of ethylbenzene and toluene at contaminated sites. Copyright © 2015 Elsevier Ltd. All rights reserved.

  10. Antifungal activity of tautomycin and related compounds against Sclerotinia sclerotiorum. (United States)

    Chen, Xiaolong; Zhu, Xiaohui; Ding, Yicheng; Shen, Yinchu


    The potential of tautomycin to control oilseed rape stem rot was investigated in this paper. Tautomycin produced by Streptomyces spiroverticillatus strongly inhibited Sclerotinia sclerotiorum, which causes oilseed rape stem rot. Tautomycin showed great inhibition of the mycelial growth of S. sclerotiorum on potato dextrose agar (PDA) plates. The values of EC(50) and MIC were 3.26 × 10(-4) mM and 6.52 × 10(-4) mM, respectively. Tautomycin treatment also resulted in morphological abnormalities of S. sclerotiorum such as hyphal swellings and abnormally branched shapes, which were observed microscopically. Sclerotia of S. sclerotiorum soaked in the tautomycin solution for 24 h remained viable, but their ability to undergo myceliogenic germination on PDA plates was completely inhibited when the concentration of tautomycin reached 6.52 × 10(-4) mM. Tautomycin-treated oilseed rape leaves were found to have a low incidence of leaf blight caused by S. sclerotiorum. The activity of the protein phosphatase (PP) in S. sclerotiorum decreased by 41.6% and 52.6% when treated with 3.30 × 10(-4) mM and 6.52 × 10(-4) mM tautomycin, respectively. Cellular constituents also leaked from S. sclerotiorum cells incubated with tautomycin. The results suggest that the antimicrobial activity of tautomycin is due to the inhibition of the PP and then a change of membrane permeability. This paper also investigated related compounds that possess either a maleic anhydride or maleic acid moiety. Results showed 2,3-dimethylmaleic anhydride, diphenylmaleic anhydride and dimethyl maleate demonstrated significant activity against S. sclerotiorum. The values of EC(50) for these three compounds were 0.31 mM, 0.15 mM and 3.99 mM, respectively. The MIC values obtained for these compounds were 1.11 mM, 0.56 mM and 9.58 mM, respectively.

  11. Environmental Fate of Organophosphorus Compounds Related to Chemical Weapons

    Energy Technology Data Exchange (ETDEWEB)

    Davisson, M L; Love, A H; Vance, A; Reynolds, J G


    Man-made organophosphorus compounds have been widely distributed throughout our environment as pesticides since their development during and after WWII. Many important studies have documented their relative persistence and toxicity. Development and use of some organophosphorus compounds as nerve agents gave rise to a separate but parallel effort to understand environmental persistence. In this latter case, the experiments have focused mainly on evaporation rates and first-order reaction kinetics. However, because organophosphorus compounds are easily polarized, the ionic content of a surrounding media directly factors into these reaction rates, but limited work in this regard has been done under environmentally relevant conditions. Furthermore, limited experiments investigating persistence of these agents on soil has resulted in widely varying degradation rates. Not surprisingly, no studies have investigated affinities of organophosphorus nerve agents to mineral or organic matter typically found in soil. As a result, we initiated laboratory experiments on dilute concentrations of nerve agent O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothiolate (VX) to quantify persistence in simulated environmental aqueous conditions. A quantitative analytical method was developed for VX and its degradation products using High Performance Liquid Chromatography-Electrospray Ionization-Mass Spectrometry (HPLC-ESI-MS). VX hydrolysis rate is known to have a pH-dependency, however, the type of buffer and the relative proportion of different nucleophiles in solution significantly affect the overall rate and mechanism of degradation. For example, dissolved carbonate, a weak nucleophile dominating natural water, yielded pseudo-first order rate constants of {approx} 8 x 10{sup -3}/hr at pH 5 and 2 x 10{sup -2}/hr at pH 11. This small pH-dependent variation departs significantly from widely accepted rates at this pH range (4 x 10{sup -4}/hr to 8 x 10{sup -2}/hr) that were based on

  12. Structural Features of Antitumor Titanium Agents and Related Compounds (United States)

    Caruso, Francesco; Rossi, Miriam; Opazo, Cristian; Pettinari, Claudio


    Previous studies established some Ti compounds as having marked activity against tumors of the gastrointestinal tract and lack of side effects common to widely used cytostatic agents. We describe pertinent structural features of known antitumor Ti agents and other potentially active compounds. Particularly noteworthy features are that Ti-O bonds are short and Ti-O-Ti bond angles are large, demonstrating that in these compounds the O binding has high s-character approaching sp hybridization. PMID:18365107

  13. Structural Features of Antitumor Titanium Agents and Related Compounds


    Caruso, Francesco; Rossi, Miriam; Opazo, Cristian; Pettinari, Claudio


    Previous studies established some Ti compounds as having marked activity against tumors of the gastrointestinal tract and lack of side effects common to widely used cytostatic agents. We describe pertinent structural features of known antitumor Ti agents and other potentially active compounds. Particularly noteworthy features are that Ti-O bonds are short and Ti-O-Ti bond angles are large, demonstrating that in these compounds the O binding has high s-character approaching sp hybridization.

  14. Diet compounds, glycemic index and obesity-related cardiac effects. (United States)

    Diniz, Yeda S; Burneiko, Regina M; Seiva, Fabio R F; Almeida, Flávia Q A; Galhardi, Cristiano Machado; Filho, José Luiz V B Novelli; Mani, Fernanda; Novelli, Ethel L B


    Diet compounds may influence obesity-related cardiac oxidative stress and metabolic sifting. Carbohydrate-rich diet may be disadvantageous from fat-rich diet to cardiac tissue and glycemic index rather than lipid profile may predict the obesity-related cardiac effects. Male Wistar rats were divided into three groups (n=8/group): (C) receiving standard chow (3.0 kcal/g); (CRD) receiving carbohydrate-rich diet (4.0 kcal/g), and (FRD) receiving fat-rich diet (4.0 kcal/g). Rats were sacrificed after the oral glucose tolerance test (OGTT) at 60 days of dietary treatments. Lipid profile and oxidative stress parameters were determined in serum. Myocardial samples were used to determine oxidative stress, metabolic enzymes, glycogen and triacylglycerol. FRD rats showed higher final body weight and body mass index than CRD and C. Serum cholesterol and low-density lipoprotein were higher in FRD than in CRD, while triacylglycerol and oxidized low-density lipoprotein cholesterol were higher in CRD than in FRD. CRD rats had the highest myocardial lipid hydroperoxide and diminished superoxide dismutase and catalase activities. Myocardial glycogen was lower and triacylglycerol was higher in CRD than in C and FRD rats. Although FRD rats had depressed myocardial-reducing power, no significant changes were observed in myocardial energy metabolism. Myocardial beta-hydroxyacyl coenzyme-A dehydrogenase and citrate synthase, as well as the enhanced lactate dehydrogenase/citrate synthase ratio indicated that fatty acid degradation was decreased in CRD rats. Glycemic index was positively correlated with obesity-related cardiac effects. Isoenergetic carbohydrate-rich and fat-rich diets induced different degree of obesity and differently affected lipid profile. Carbohydrate-rich diet was deleterious relative to fat-rich diet in the heart enhancing lipoperoxidation and shifting the metabolic pathway for energy production. Glycemic index rather than dyslipidemic profile may predict the obesity

  15. Reaction of iodomethyltin(IV compounds with (2s-2,5-dihydro-3,6-dimethoxy-2-isopropylpyrazine

    Directory of Open Access Journals (Sweden)

    Dölling Karin


    Full Text Available Following the Schöllkopf methodology the reaction of (2S-2,5- dihydro-3,6-dimethoxy-2-isopropylpyrazine 1 with iodomethyl trimethylstannane gives (2S,5S-2,5-dihydro-3,6-dimethoxy-5-trimethylstannylmethyl-2- isopropylpyrazine 2 in good yields. The obtained compound was characterized with elemental analysis and multinuclear (1H, 13C and 119Sn NMR spectroscopy.

  16. Polymers containing borane or carborane cage compounds and related applications (United States)

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


    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.

  17. Mangiferin: a natural miracle bioactive compound against lifestyle related disorders. (United States)

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


    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-β-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, and immunomodulatory. It suppresses the activation of peroxisome proliferator activated receptor isoforms by changing the transcription process. Mangiferin protects against different human cancers, including lung, colon, breast, and neuronal cancers, through the suppression of tumor necrosis factor α expression, inducible nitric oxide synthase potential, and proliferation and induction of apoptosis. It also protects against neural and breast cancers by suppressing the expression of matrix metalloproteinase (MMP)-9 and MMP-7 and inhibiting enzymatic activity, metastatic potential, and activation of the β-catenin pathway. It has the capacity to block lipid peroxidation, in order to provide a shielding effect against physiological threats. Additionally, mangiferin enhances the capacity of the monocyte-macrophage system and possesses antibacterial activity against gram-positive and gram-negative bacteria. This review summarizes the literature pertaining to mangiferin and its associated health claims.

  18. A new class of large band gap quantum spin hall insulators: 2D fluorinated group-IV binary compounds. (United States)

    Padilha, J E; Pontes, R B; Schmidt, T M; Miwa, R H; Fazzio, A


    We predict a new class of large band gap quantum spin Hall insulators, the fluorinated PbX (X = C, Si, Ge and Sn) compounds, that are mechanically stable two-dimensional materials. Based on first principles calculations we find that, while the PbX systems are not topological insulators, all fluorinated PbX (PbXF2) compounds are 2D topological insulators. The quantum spin Hall insulating phase was confirmed by the explicitly calculation of the Z2 invariant. In addition we performed a thorough investigation of the role played by the (i) fluorine saturation, (ii) crystal field, and (iii) spin-orbital coupling in PbXF2. By considering nanoribbon structures, we verify the appearance of a pair of topologically protected Dirac-like edge states connecting the conduction and valence bands. The insulating phase which is a result of the spin orbit interaction, reveals that this new class of two dimensional materials present exceptional nontrivial band gaps, reaching values up to 0.99 eV at the Γ point, and an indirect band gap of 0.77 eV. The topological phase is arisen without any external field, making this system promising for nanoscale applications, using topological properties.

  19. Model investigations of vanadium-protein interactions: novel vanadium(III) and oxovanadium(IV) compounds with the diamidate ligand 1,2-bis(2-pyridinecarboxamide)benzene (H2bpb). (United States)

    Vlahos, A T; Tolis, E I; Raptopoulou, C P; Tsohos, A; Sigalas, M P; Terzis, A; Kabanos, T A


    Novel vanadium(III) and oxovanadium(IV) compounds with the diamidate ligand 1,2-bis(2-pyridinecarboxamide)benzene (H2bpb) were synthesized and structurally characterized. H2bpb is capable of binding to vanadium in either its anionic (dianionic-monoanionic) or its neutral form, resulting in complexes of various geometries and stoichiometries. The dianionic form (bpb2-), in NHEt3(trans-[VCl2(bpb)]) (1) and [VO(bpb)(H2O)]05dmso036CH3OH013H2O (6x05dmsox036CH3OHx013H2O), acts as a planar tetradentate bis[N-amidate-N-pyridine] equatorial ligand. The monoanionic form (Hbpb-) behaves as an (Npy,Oam) or (Npy,Nam) chelator in [V(Hbpb)3]2CHCl3 (22CHCl3) as well as a mu 2-bridging-eta 4-(Npy,Oam-Npy,Nam) in [VOCl(Hbpb)](2)x2CH3NO2 (3x2CH3NO2), while the neutral H2bpb behaves as a mu 2-bridging-eta 4-bis(Npy,Oam) in [VOCl(H2bpb)](2)x104CH3OHx123thfx074H2O (4x104CH3OH123thf074H2O). Compound 4x104CH3OHx123thfx074H2O crystallizes in the triclinic system P1, with (at 25 degrees C) a = 9140(2) A, b = 11058(2) A, c = 14175(2) A, alpha = 99013(5) degrees, beta = 104728(7) degrees, gamma = 102992(7) degrees, V = 13149(4) A3, Z = 1, while compound 605dmso036CH3OH013H2O crystallizes in the monoclinic space group P2(1)/n with (at 25 degrees C) a = 11054(5) A, b = 11407(5) A, c = 16964(7) A, beta = 932(1) degrees, V = 2136(2) A3, Z = 4. Variable temperature magnetic susceptibility studies of the dimeric compounds 3x2CH3NO2 and 4x104CH3OH show g values for the V(IV) centers that are slightly smaller than 20 (as expected for d1 ions) and indicate small antiferromagnetic coupling between the two vanadium(IV) centers. Ab initio calculations were also carried out, providing results concerning the effect of the relative strength and the deformation energy involved in the eta 2-(Npy,Nam) and eta 2-(Npy,Oam) bonding modes in the ligation of Hbpb- to vanadium.

  20. The dependence of C IV broad absorption line properties on accompanying Si IV and Al III absorption: relating quasar-wind ionization levels, kinematics, and column densities

    Energy Technology Data Exchange (ETDEWEB)

    Filiz Ak, N.; Brandt, W. N.; Schneider, D. P.; Trump, J. R. [Department of Astronomy and Astrophysics, Pennsylvania State University, University Park, PA 16802 (United States); Hall, P. B. [Department of Physics and Astronomy, York University, 4700 Keele Street, Toronto, Ontario M3J 1P3 (Canada); Anderson, S. F. [Astronomy Department, University of Washington, Seattle, WA 98195 (United States); Hamann, F. [Department of Astronomy, University of Florida, Gainesville, FL 32611-2055 (United States); Myers, Adam D. [Department of Physics and Astronomy, University of Wyoming, Laramie, WY 82071 (United States); Pâris, I. [Departamento de Astronomía, Universidad de Chile, Casilla 36-D, Santiago (Chile); Petitjean, P. [Institut d' Astrophysique de Paris, Universite Paris 6, F-75014 Paris (France); Ross, Nicholas P. [Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720 (United States); Shen, Yue [Carnegie Observatories, 813 Santa Barbara Street, Pasadena, CA 91101 (United States); York, Don, E-mail: [Department of Astronomy and Astrophysics, The University of Chicago, Chicago, IL 60637 (United States)


    We consider how the profile and multi-year variability properties of a large sample of C IV Broad Absorption Line (BAL) troughs change when BALs from Si IV and/or Al III are present at corresponding velocities, indicating that the line of sight intercepts at least some lower ionization gas. We derive a number of observational results for C IV BALs separated according to the presence or absence of accompanying lower ionization transitions, including measurements of composite profile shapes, equivalent width (EW), characteristic velocities, composite variation profiles, and EW variability. We also measure the correlations between EW and fractional-EW variability for C IV, Si IV, and Al III. Our measurements reveal the basic correlated changes between ionization level, kinematics, and column density expected in accretion-disk wind models; e.g., lines of sight including lower ionization material generally show deeper and broader C IV troughs that have smaller minimum velocities and that are less variable. Many C IV BALs with no accompanying Si IV or Al III BALs may have only mild or no saturation.

  1. Antimalarial activity of thioacridone compounds related to the acronycine alkaloid. (United States)

    Dheyongera, James P; Geldenhuys, Werner J; Dekker, Theodor G; Matsabisa, Motlalepula G; Van der Schyf, Cornelis J


    A series of thioacridone compounds that were previously shown to have DNA binding interaction, were screened for antimalarial activity. The new compounds were assessed for in vitro antimalarial activity against a chloroquine sensitive (D10) strain of the malaria parasite Plasmodium falciparum, using a lactate dehydrogenase (PfLDH) assay. In the series, the IC(50) values ranged from 0.4 to 27 microg/ml. 1-(2-Dimethylaminoethylamino)-9(10H)-thioacridone was found to be the most potent against P. falciparum (D10) with an IC(50) value of 0.4 microg/ml. This compound was also evaluated against a South African chloroquine resistant (RSA 11) P. falciparum strain and was found to have an IC(50) value of 1 microg/ml, compared with 0.16 microg/ml for chloroquine. Quantitative structure-activity relationships of this series were also investigated and a multiple linear regression r(2) of 0.58 was found for the best fit equation. The most potent compound, 1-(2-dimethylaminoethylamino)-9(10H)-thioacridone, was docked into the chloroquine binding site of PfLDH and it was found that the slightly lower activity of this compound, compared with chloroquine, is likely due to steric interference within a restricted binding pocket.

  2. New tannin-related compounds from Tagetes erecta. (United States)

    Zhou, Xianli; Huang, Shuai; Zhou, Xiaoli; Weng, Jie; Wang, Cuijuan


    A mixture of two new anomers: 3,4-di-O-[syringate]-alpha-D-glucopyranose (1) and 3,4-di-O-[syringate]-beta-D-glucopyranose (2), together with syringic acid (3), were isolated from the alcohol extract of Tagetes erecta. The structures of these compounds were elucidated by various spectroscopic methods, including intensive 1D, 2D NMR and HR-ESI-MS studies. The structural assignment was further supported by HPLC-ESI-MS with compound 1 at t(R) = 3.22 min (m/z 538.9 [M-H](-)) and compound 2 at 3.25 min (m/z 538.9 [M-H](-)) in the mixture.

  3. Analysis of rubusoside and related compounds in tenryocha extract sweetener. (United States)

    Sugimoto, Naoki; Sato, Kyoko; Liu, Hong-Min; Kikuchi, Hiroyuki; Yamazaki, Takeshi; Maitani, Tamio


    The main and minor constituents of tenryocha extract product, a natural sweetener, were investigated as a part of an ongoing study to evaluate its quality and safety as a food additive. Four constituents, namely rubusoside, steviolmonoside, panicloside IV, and ent-16 alpha, 17-dihydroxykauran-19-oic acid, were isolated. The concentration of rubusoside, the main sweet constituent, was 8.65% in the tenryocha extract product. In addition, it was confirmed that the origin of the extract was the leaves of Rubus suavissimus S. Lee (Rosaseae), as determined by comparing TLC and HPLC profiles of the product and hot-water extract prepared from the leaves of R. suavissimus.

  4. Analysis of Rubusoside and Related Compounds in Tenryocha Extract Sweetener

    National Research Council Canada - National Science Library

    杉本, 直樹; 佐藤, 恭子; 劉, 宏民; 菊地, 博之; 山崎, 壮; 米谷, 民雄


    天然甘味料テンリョウチャ抽出物製品の主甘味成分ルブソシド(rubusoside)及び関連成分について検討した.本抽出物を常法に従い分画し,主甘味成分1及び微量成分2, 3, 4を単離精製した.各化合物の構造決定をFAB-MS及び NMR により行い,1を rubusoside, 2 をsteviolmonoside, 3をpanicloside IV, 4をent-16α,17-dihydroxykauran-19-oic acid...

  5. Changes in pediatric health-related quality of life in cystic fibrosis after IV antibiotic treatment for pulmonary exacerbations. (United States)

    Modi, Avani C; Lim, Crystal S; Driscoll, Kimberly A; Piazza-Waggoner, Carrie; Quittner, Alexandra L; Wooldridge, Jamie


    Intravenous (IV) antibiotic therapy for pulmonary exacerbations (PE) has been shown to improve pulmonary functioning for patients with cystic fibrosis (CF); however, little is known about its effects on pediatric health-related quality of life (HRQOL). This prospective study assessed the impact of IV treatment of a PE on generic and CF-specific HRQOL for children and adolescents with CF. Participants included 52 children and adolescents with CF experiencing a PE (M (age) = 13.6 years; 54% males; M(FEV(1%)) predicted = 58.8%). HRQOL, pulmonary functioning, and body mass index were assessed before and after IV antibiotic treatment. Results of this prospective, observational study indicated significant improvements on CFQ-R Respiratory (M (change score) = 11.7; 95% CI = 6.3-17.1; p < .0001) and Weight (M (change score) = 15.9; 95% CI = 7.9-23.8; p < .0001) scales. The CF-specific measure was more sensitive to changes in HRQOL than the generic instrument. These data suggest that CF-specific HRQOL improves with treatment for a PE with IV antibiotics. The noted statistically and clinically significant changes in the CFQ-respiratory scale indicate that the measure may be beneficial to pulmonary health care teams.

  6. Betaines and related ammonium compounds in chestnut (Castanea sativa Mill.). (United States)

    Servillo, Luigi; Giovane, Alfonso; Casale, Rosario; Balestrieri, Maria Luisa; Cautela, Domenico; Paolucci, Marina; Siano, Francesco; Volpe, Maria Grazia; Castaldo, Domenico


    Chestnut fruits, being poor of simple sugars and consisting mainly of fibers and starch, are among the constituents of Mediterranean diet. While numerous studies report on content of proteins and amino acids in chestnut, no one has appeared so far on betaines, an important class of nitrogen compounds ubiquitous in plants for their protective action in response to abiotic stress. In this study, we analyzed by HPLC-ESI-tandem mass spectrometry, in fruits and flours of varieties of chestnut cultivated in Italy, the composition of betaines and ammonium compounds intermediates of their biosynthesis. Besides the parent amino acids, the compounds quantified were choline, glycerophosphocholine, phosphocholine, glycine betaine, N-methylproline, proline betaine (stachydrine), β-alanine betaine, 4-guanidinobutyric acid, trigonelline, N,N,N-trimethyllysine. Interestingly, some uncommon derivatives of pipecolic acid, such as N-methylpipecolic acid, 4-hydroxypipecolic acid and 4-hydroxy-N-methylpipecolic acid were identified for the first time in chestnut samples and characterized by MS(n) tandem mass spectrometry. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. 1-/sup 11/C-D-glucose and related compounds

    Energy Technology Data Exchange (ETDEWEB)

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


    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.

  8. Cactus alkaloids. XXXVI. Mescaline and related compounds from Trichocereus peruvianus. (United States)

    Pardanani, J H; McLaughlin, J L; Kondrat, R W; Cooks, R G


    Agurell has previously detected (tlc, glc-ms) tyramine, 3-methoxytyramine, and two unknown alkaloids in the Peruvian cactus, Trichocereus peruvianus Br. and R. The presence of mescaline in other similar Trichocereus species prompted us to reinvestigate this species, which is commercially available in the United States. The nonphenolic alkaloid extracts yielded an abundance of crystalline mescaline hydrochloride (0.82% yield) and a trace of 3,4-dimethoxyphenethylamine (tlc-ms). Crystalline tyramine hydrochloride, 3-methoxytyramine hydrochloride, and 3,5 dimethoxy-4-hydroxphenethylamine hydrochloride were isolated from the phenolic alkaloid extracts; the last compound has not been previously crystallized from nature, although it is the immediate biosynthetic precursor of mescaline. Crystalline 2-chloromescaline hydrochloride was isolated drom the nonphenolic extracts; but, as determined by mass-analyzed ion kinetic energy spectrometry, this new compound is an extraction artifact. Both 2-chloromescaline and 2.6-dichloromescaline hydrochlorides were prepared synthetically from mescaline. This cactus species has a mescaline content equal or superior to peyote and should be legally controlled as an item of drug abuse.

  9. Personality Disorders, Impulsiveness, and Novelty Seeking in Persons with DSM-IV Pathological Gambling and Their First-Degree Relatives. (United States)

    Black, Donald W; Coryell, William H; Crowe, Raymond R; Shaw, Martha; McCormick, Brett; Allen, Jeff


    This study investigates the presence of personality disorders, impulsiveness, and novelty seeking in probands with DSM-IV pathological gambling (PG), controls, and their respective first-degree relatives using a blind family study methodology. Ninety-three probands with DSM-IV PG, 91 controls, and their 395 first-degree relatives were evaluated for the presence of personality disorder with the Structured Interview for DSM-IV Personality. Impulsiveness was assessed with the Barratt Impulsiveness Scale (BIS). Novelty seeking was evaluated using questions from Cloninger's Temperament and Character Inventory. Results were analyzed using logistic regression by the method of generalized estimating equations to account for within family correlations. PG probands had a significantly higher prevalence of personality disorders than controls (41 vs. 7 %, OR = 9.0, P personality disorder had more severe gambling symptoms; earlier age at PG onset; more suicide attempts; greater psychiatric comorbidity; and a greater family history of psychiatric illness than PG probands without a personality disorder. PG relatives had a significantly higher prevalence of personality disorder than relatives of controls (24 vs. 9%, OR = 3.2, P personality disorder and increases along with rising BIS Non-Planning and Total scale scores. Personality disorders, impulsiveness, and novelty seeking are common in people with PG and their first-degree relatives. The presence of a personality disorder appears to be a marker of PG severity and earlier age of onset. Risk for PG in relatives is associated with the presence of personality disorder and trait impulsiveness. These findings suggest that personality disorder and impulsiveness may contribute to a familial diathesis for PG.

  10. 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)


    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.

  11. Dietary Habits and Health Related Behaviors in Iranian Children and Adolescents: The CASPIAN- IV Study

    Directory of Open Access Journals (Sweden)

    Fatemeh Azizi-Soleiman


    Full Text Available Background: Obesity has a growing global epidemic with several risk factors including lifestyle habits, physical activity, and prolonged screen time. This study aimed to compare the dietary habits and self-reported health behaviors in a nationally representative sample of Iranian children and adolescents. Materials and Methods: This cross sectional nationwide study was conducted in the framework of the fourth survey of a national school-based surveillance program, entitled Childhood and Adolescence Surveillance and Prevention of Adult Non‑communicable disease (CASPIAN-IV Study. Participants were 14,880 students aged 6-18 years from 30 provinces in Iran. The World Health Organization- Global Student Health Survey questionnaire was utilized to assess their relationship with peers, body image, dietary, life-style and smoking habits, physical activity, and violence behaviors. Apart from the questionnaire, additional information on dietary habits was obtained as well. The Chi-square test and the student t-test were used to compare the groups. Results: Boys had higher proportions of obesity (P

  12. Non-destructive pollution exposure assessment in the European hedgehog (Erinaceus europaeus): IV. Hair versus soil analysis in exposure and risk assessment of organochlorine compounds

    Energy Technology Data Exchange (ETDEWEB)

    D' Have, Helga [Department of Biology, Ecophysiology, Biochemistry and Toxicology Group, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium)]. E-mail:; Scheirs, Jan [Department of Biology, Evolutionary Biology Group, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Covaci, Adrian [Toxicological Centre, University of Antwerp, Universiteitsplein 1, B-2610 Wilrijk (Belgium); Brink, Nico W. van den [Alterra, Wageningen UR, Box 47, NL-6700 AA Wageningen (Netherlands); Verhagen, Ron [Department of Biology, Evolutionary Biology Group, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium); Coen, Wim de [Department of Biology, Ecophysiology, Biochemistry and Toxicology Group, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp (Belgium)


    Few ecotoxicological studies on mammals use non-destructive methodologies, despite the growing ethical concern over the use of destructive sampling methods. In the present study we assessed exposure of hedgehogs (Erinaceus europaeus) to polychlorinated biphenyls (PCBs), dichloro-diphenyl-trichloroethanes (DDTs), hexachlorocyclohexanes (HCHs) and hexachlorobenzene (HCB), by investigating concentrations of these compounds in soils and hedgehog hair from seven study sites around the urban area of Antwerp, Belgium. No relationships were observed between organochlorine compound concentrations in soils and hair from the different study areas. Furthermore, the individual variation of contamination levels in hair within study sites was high, especially for HCHs and HCB, and hair and soil had different relative profiles for PCBs, DDTs and HCHs. Our results show that concentrations of organochlorine compounds in soils alone are not predictive of the risk of these pollutants to hedgehogs and that tissue analyses are preferred to soil analyses in exposure and risk assessment studies. - Hair is better than soil for exposure and risk assessment of PCBs and organochlorine pesticides in hedgehogs.

  13. Monomeric oxovanadium(IV) compounds of the general formula cis-[V(IV)(=O)(X)(L(NN))(2)](+/0) [X = OH(-), Cl(-), SO(4)(2)(-) and L(NN) = 2,2'-bipyridine (bipy) or 4,4'-disubstituted bipy]. (United States)

    Triantafillou, Georgios D; Tolis, Evagelos I; Terzis, Aris; Deligiannakis, Yiannis; Raptopoulou, Catherine P; Sigalas, Michael P; Kabanos, Themistoklis A


    Reaction of [V(IV)OCl(2)(THF)(2)] in aqueous solution with 2 equiv of AgBF(4) or AgSbF(6) and then with 2 equiv of 2,2'-bipyridine (bipy), 4,4'-di-tert-butyl-2,2'-bipyridine (4,4'-dtbipy), or 4,4'-di-methyl-2,2'-bipyridine (4,4'-dmbipy) affords compounds of the general formula cis-[V(IV)O(OH)(L(NN))(2)]Y [where L(NN) = bipy, Y = BF(4)(-) (1), L(NN) = 4,4'-dtbipy, Y = BF(4)(-) (2.1.2H(2)O), L(NN) = 4,4'-dmbipy, Y = BF(4)(-) (3.2H(2)O), and L(NN) = 4,4'-dtbipy, Y = SbF(6)(-) (4)]. Sequential addition of 1 equiv of Ba(ClO(4))(2) and then of 2 equiv of bipy to an aqueous solution containing 1 equiv of V(IV)OSO(4).5H(2)O yields cis-[V(IV)O(OH)(bipy)(2)]ClO(4) (5). The monomeric compounds 1-5 contain the cis-[V(IV)O(OH)](+) structural unit. Reaction of 1 equiv of V(IV)OSO(4).5H(2)O in water and of 1 equiv of [V(IV)OCl(2)(THF)(2)] in ethanol with 2 equiv of bipy gives the compounds cis-[V(IV)O(OSO(3))(bipy)(2)].CH(3)OH.1.5H(2)O (6.CH(3)OH.1.5H(2)O) and cis-[V(IV)OCl(bipy)(2)]Cl (7), respectively, while reaction of 1 equiv of [V(IV)OCl(2)(THF)(2)] in CH(2)Cl(2) with 2 equiv of 4,4'-dtbipy gives the compound cis-[V(IV)OCl(4,4'-dtbipy)(2)]Cl.0.5CH(2)Cl(2) (8.0.5CH(2)Cl(2)). Compounds cis-[V(IV)O(BF(4))(4,4'-dtbipy)(2)]BF(4) (9), cis-[V(IV)O(BF(4))(4,4'-dmbipy)(2)]BF(4) (10), and cis-[V(IV)O(SbF(6))(4,4'-dtbipy)(2)]SbF(6) (11) were synthesized by sequential addition of 2 equiv of 4,4'-dtbipy or 4,4'-dmbipy and 2 equiv of AgBF(4) or AgSbF(6) to a dichloromethane solution containing 1 equiv of [V(IV)OCl(2)(THF)(2)]. The crystal structures of 2.1.2H(2)O, 6.CH(3)OH.1.5H(2)O, and 8.0.5CH(2)Cl(2) were demonstrated by X-ray diffraction analysis. Crystal data are as follows: Compound 2.1.2H(2)O crystallizes in the orthorhombic space group Pbca with (at 298 K) a = 21.62(1) A, b = 13.33(1) A, c = 27.25(2) A, V = 7851(2) A(3), Z = 8. Compound 6.CH(3)OH.1.5H(2)O crystallizes in the monoclinic space group P2(1)/a with (at 298 K) a = 12.581(4) A, b = 14.204(5) A, c = 14.613(6) A, beta

  14. Ovicidal and adulticidal activities of Cinnamomum zeylanicum bark essential oil compounds and related compounds against Pediculus humanus capitis (Anoplura: Pediculicidae). (United States)

    Yang, Young-Cheol; Lee, Hoi-Seon; Lee, Si Hyeock; Clark, J Marshall; Ahn, Young-Joon


    The toxicity of cinnamon, Cinnamomum zeylanicum, bark essential oil compounds against eggs and adult females of human head louse, Pediculus humanus capitis, was examined using direct contact and vapour phase toxicity bioassays and compared with the lethal activity of their related compounds, benzyl alcohol, cinnamic acid, cinnamyl acetate, 4-hydroxybenzaldehyde and salicylaldehyde, as well as two widely used pediculicides, d-phenothrin and pyrethrum. In a filter-paper contact toxicity bioassay with female lice at 0.25 mg/cm(2), benzaldehyde was 29- and 27-fold more toxic than pyrethrum and d-phenothrin, respectively, as judged by median lethal time (LT(50)) values. Salicylaldehyde was nine and eight times more active than pyrethrum and d-phenothrin, respectively. Pediculicidal activity of linalool was comparable with that of d-phenothrin and pyrethrum. Cinnamomum bark essential oil was slightly less effective than either d-phenothrin or pyrethrum. Benzyl alcohol and (E)-cinnamaldehyde exhibited moderate pediculicidal activity. After 24h of exposure, no hatching was observed with 0.063 mg/cm(2) salicylaldehyde, 0.125 mg/cm(2) benzaldehyde, 0.5mg/cm(2)Cinnamomum bark essential oil, 1.0 mg/cm(2) (E)-cinnamaldehyde, and 1.0 mg/cm(2) benzyl cinnamate. Little or no ovicidal activity was observed with d-phenothrin or pyrethrum. In vapour phase toxicity tests with female lice, benzaldehyde and salicylaldehyde were much more effective in closed containers than in open ones, indicating that the mode of delivery of these compounds was largely due to action in the vapour phase. Neither d-phenothrin nor pyrethrum exhibited fumigant toxicity. Cinnamomum bark essential oil and test compounds described merit further study as potential pediculicides or ovicides for the control of P. h. capitis.

  15. Formation constants of Cd(II) complexes with dithizone and related compounds. (United States)

    Math, K; Freiser, H


    The stability constants of cadmium complexes of compounds related to dithizone are reported. Substitution in the ortho position lowers the stability constant. It is probable that this is a consequence of deviation from coplanarity of the phenyl and chelate rings.

  16. 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.


    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

  17. Diaquatetrabromidotin(IV trihydrate

    Directory of Open Access Journals (Sweden)

    Fei Ye


    Full Text Available The title compound, [SnBr4(H2O2]·3H2O, forms large colourless crystals in originally sealed samples of tin tetrabromide. It constitutes the first structurally characterized hydrate of SnBr4 and is isostructural with the corresponding hydrate of SnCl4. It is composed of SnIV atoms octahedrally coordinated by four Br atoms and two cis-related water molecules. The octahedra exhibit site symmetry 2. They are arranged into columns along [001] via medium–strong O—H...O hydrogen bonds involving the two lattice water molecules (one situated on a twofold rotation axis while the chains are interconnected via longer O—H...Br hydrogen bonds, forming a three-dimensional network.

  18. The Ricci flow part IV : long-time solutions and related topics

    CERN Document Server

    Chow, Bennett; Glickenstein, David; Isenberg, James


    Ricci flow is a powerful technique using a heat-type equation to deform Riemannian metrics on manifolds to better metrics in the search for geometric decompositions. With the fourth part of their volume on techniques and applications of the theory, the authors discuss long-time solutions of the Ricci flow and related topics. In dimension 3, Perelman completed Hamilton's program to prove Thurston's geometrization conjecture. In higher dimensions the Ricci flow has remarkable properties, which indicates its usefulness to understand relations between the geometry and topology of manifolds. This b

  19. The State of Asian Pacific America: Transforming Race Relations. A Public Policy Report, Volume IV. (United States)

    Ong, Paul M., Ed.

    The papers in this collection respond to the importance of race in U.S. society by providing a comprehensive, multidisciplinary empirical analysis of the diverse ways in which Asian Pacific Americans are redefining and transforming contemporary U.S. race relations. Following a preface by Don T. Nakanishi and J. D. Hokoyama, the chapters are: (1)…

  20. Growth and coal-solubilizing activity of Penicillin simplicissimum on coal-related aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Achi, O.K. (Federal Polytechnic (Nigeria). Dept. of Science and Technology)


    Penicillium simplicissimum, a coal-degrading fungus, was shown to utilize aromatic coal-substructure compounds as the sole carbon source. Aromatic compounds were also mixed with soluble coal polymer and solubilization was studied over a 7-day period. The degradation of coal in supplemented samples measured as the amount of acid-precipitable coal polymer being formed was investigated. Although coal solubilization was produced with most of the aromatic compounds tested, wide differences in the extent of solubilization in the presence of each compound were recorded, depending on whether the intact organism or cell-free extract was used. The efficient conversion of the compounds by the fungus is related to the efficiency shown in the degradation of coal. The infrared spectra and elemental analysis of biodegraded coal and the undegraded parent material were used to draw conclusions concerning the cleavage of functional groups in the coal. Possible involvement of enzymes in the process is discussed.

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

    Directory of Open Access Journals (Sweden)

    Pham Hien


    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. Sexual dysfunction related to drugs: a critical review. Part IV: cardiovascular drugs. (United States)

    La Torre, A; Giupponi, G; Duffy, D; Conca, A; Catanzariti, D


    Sexual dysfunction is a potential side effect of cardiovascular drugs: this article is a critical review of the current literature. Many studies have been published on this topic. Most of these studies are not methodologically robust, few are RCTs and most did not use a validated rating scale to evaluate sexual functioning. In addition, other methodological flaws limit greatly the conclusions of these studies. Most studies relate to male populations and only a few have been conducted on women. Also, the majority of studies on sexual dysfunction induced by cardiovascular drugs relate to antihypertensive drugs. While there is evidence to suggest that older antihypertensive drugs (diuretics, beta-blockers, centrally acting agents) have a negative impact on erectile function, newer agents seem to have either neutral (ACE inhibitors, calcium antagonists) or beneficial effects (i. e., angiotensin receptor blockers, nebivolol). Other cardiovascular drugs analyzed in this review also appear to have an inhibitory action on sexual function. For men, there is some weak evidence supporting the use of specific treatment strategies for sexual dysfunction associated with these drugs. This study was conducted in 2014 using the paper and electronic resources of the library of the "Azienda Provinciale per i Servizi Sanitari (APSS)" in Trento, Italy ( The library has access to a wide range of databases including DYNAMED, MEDLINE Full Text, CINAHL Plus Full Text, The Cochrane Library, Micromedex healthcare series, BMJ Clinical Evidence. The full list of available journals can be viewed at or at the APSS web site ( In completing this review, a literature search was conducted using the key words "cardiovascular", "adrenergic beta antagonist", "α1-adrenoceptor antagonist", "angiotensin converting enzyme inhibitor", "angiotensin receptor antagonist", "angiotensin receptor blocker", "beta blocker

  3. Calcitonin gene-related peptide regulates type IV hypersensitivity through dendritic cell functions.

    Directory of Open Access Journals (Sweden)

    Norihisa Mikami

    Full Text Available Dendritic cells (DCs play essential roles in both innate and adaptive immune responses. In addition, mutual regulation of the nervous system and immune system is well studied. One of neuropeptides, calcitonin gene-related peptide (CGRP, is a potent regulator in immune responses; in particular, it has anti-inflammatory effects in innate immunity. For instance, a deficiency of the CGRP receptor component RAMP 1 (receptor activity-modifying protein 1 results in higher cytokine production in response to LPS (lipopolysaccharide. On the other hand, how CGRP affects DCs in adaptive immunity is largely unknown. In this study, we show that CGRP suppressed Th1 cell differentiation via inhibition of IL-12 production in DCs using an in vitro co-culture system and an in vivo ovalbumin-induced delayed-type hypersensitivity (DTH model. CGRP also down-regulated the expressions of chemokine receptor CCR2 and its ligands CCL2 and CCL12 in DCs. Intriguingly, the frequency of migrating CCR2(+ DCs in draining lymph nodes of RAMP1-deficient mice was higher after DTH immunization. Moreover, these CCR2(+ DCs highly expressed IL-12 and CD80, resulting in more effective induction of Th1 differentiation compared with CCR2(- DCs. These results indicate that CGRP regulates Th1 type reactions by regulating expression of cytokines, chemokines, and chemokine receptors in DCs.

  4. Do galaxy global relationships emerge from local ones? The SDSS IV MaNGA surface mass density-metallicity relation (United States)

    Barrera-Ballesteros, Jorge K.; Heckman, Timothy M.; Zhu, Guangtun B.; Zakamska, Nadia L.; Sánchez, Sebastian F.; Law, David; Wake, David; Green, Jenny E.; Bizyaev, Dmitry; Oravetz, Daniel; Simmons, Audrey; Malanushenko, Elena; Pan, Kaike; Roman Lopes, Alexandre; Lane, Richard R.


    We present the stellar surface mass density versus gas metallicity (Σ*-Z) relation for more than 500 000 spatially resolved star-forming resolution elements (spaxels) from a sample of 653 disc galaxies included in the SDSS IV MaNGA survey. We find a tight relation between these local properties, with higher metallicities as the surface density increases. This relation extends over three orders of magnitude in the surface mass density and a factor of 4 in metallicity. We show that this local relationship can simultaneously reproduce two well-known properties of disc galaxies: their global mass-metallicity relationship and their radial metallicity gradients. We also find that the Σ*-Z relation is largely independent of the galaxy's total stellar mass and specific star formation rate (sSFR), except at low stellar mass and high sSFR. These results suggest that in the present-day universe local properties play a key role in determining the gas-phase metallicity in typical disc galaxies.

  5. SDSS IV MaNGA: Dependence of Global and Spatially Resolved SFR–M ∗ Relations on Galaxy Properties (United States)

    Pan, Hsi-An; Lin, Lihwai; Hsieh, Bau-Ching; Sánchez, Sebastián F.; Ibarra-Medel, Héctor; Boquien, Médéric; Lacerna, Ivan; Argudo-Fernández, Maria; Bizyaev, Dmitry; Cano-Díaz, Mariana; Drory, Niv; Gao, Yang; Masters, Karen; Pan, Kaike; Tabor, Martha; Tissera, Patricia; Xiao, Ting


    The galaxy integrated Hα star formation rate–stellar mass relation, or SFR(global)–M *(global) relation, is crucial for understanding star formation history and evolution of galaxies. However, many studies have dealt with SFR using unresolved measurements, which makes it difficult to separate out the contamination from other ionizing sources, such as active galactic nuclei and evolved stars. Using the integral field spectroscopic observations from SDSS-IV MaNGA, we spatially disentangle the contribution from different Hα powering sources for ∼1000 galaxies. We find that, when including regions dominated by all ionizing sources in galaxies, the spatially resolved relation between Hα surface density (ΣHα (all)) and stellar mass surface density (Σ*(all)) progressively turns over at the high Σ*(all) end for increasing M *(global) and/or bulge dominance (bulge-to-total light ratio, B/T). This in turn leads to the flattening of the integrated Hα(global)–M *(global) relation in the literature. By contrast, there is no noticeable flattening in both integrated Hα(H II)–M *(H II) and spatially resolved ΣHα (H II)–Σ*(H II) relations when only regions where star formation dominates the ionization are considered. In other words, the flattening can be attributed to the increasing regions powered by non-star-formation sources, which generally have lower ionizing ability than star formation. An analysis of the fractional contribution of non-star-formation sources to total Hα luminosity of a galaxy suggests a decreasing role of star formation as an ionizing source toward high-mass, high-B/T galaxies and bulge regions. This result indicates that the appearance of the galaxy integrated SFR–M * relation critically depends on their global properties (M *(global) and B/T) and relative abundances of various ionizing sources within the galaxies.

  6. Intergenerational Childhood Maltreatment in Persons with DSM-IV Pathological Gambling and Their First-Degree Relatives. (United States)

    Shultz, Samuel K; Shaw, Martha; McCormick, Brett; Allen, Jeff; Black, Donald W


    This study investigates the characteristics of individuals with DSM-IV pathological gambling (PG) who experienced childhood maltreatment and rates of maltreatment occurring in their first-degree relatives (FDRs). 94 subjects with DSM-IV PG, 91 controls, and 312 FDRs were assessed for childhood maltreatment as part of a family study of PG. Maltreatment was evaluated using the Revised Childhood Experiences Questionnaire. The Family Assessment Device was used to evaluate the functionality of the PG subject's (or control's) family of origin. Data were analyzed using logistic regression by the method of generalized estimating equations. Rates of maltreatment were significantly higher in subjects with PG than controls (61 vs. 25 %, P < 0.001). Subjects with PG who experienced maltreatment were more likely to be female, had more severe PG symptoms, had co-occurring mood and anxiety disorders, and reported greater early family life dysfunction than those with PG who did not experience maltreatment. Rates of maltreatment were higher in FDRs of PG subjects than controls (41 vs. 24 %, P = .002). Rates in FDRs of individuals with PG who experienced maltreatment themselves were still higher that in FDRs of those with PG who did not experience maltreatment (50 vs. 28 %, P = .009). The former were also more likely to have anxiety disorders, substance use disorders, and suicide attempts. The results suggest that childhood maltreatment in persons with PG is common and intergenerational. Rates of maltreatment in FDRs of PG subjects are high, particularly among those who experienced abuse. The implications of the findings are discussed.

  7. A selective stepwise heme oxygenase model system: an iron(IV)-oxo porphyrin π-cation radical leads to a verdoheme-type compound via an isoporphyrin intermediate. (United States)

    Garcia-Bosch, Isaac; Sharma, Savita K; Karlin, Kenneth D


    The selective oxidation of the α-position of two heme-Fe(III) tetraarylporphryinate complexes occurs when water(hydroxide) attacks their oxidized Cmpd I-type equivalents, high-valent Fe(IV)═O π-cation radical species ((P(+•))Fe(IV)═O). Stepwise intermediate formation occurs, as detected by UV-vis spectroscopic monitoring or mass spectrometric interrogation, being iron(III) isoporphyrins, iron(III) benzoyl-biliverdins, and the final verdoheme-like products. Heme oxygenase (HO) enzymes could proceed through heterolytic cleavage of an iron(III)-hydroperoxo intermediate to form a transient Cmpd I-type species.

  8. Defensive roles of (E)-2-alkenals and related compounds in heteroptera. (United States)

    Noge, Koji; Prudic, Kathleen L; Becerra, Judith X


    We examined whether shared volatiles found in various heteropteran species and developmental stages function to repel predators. The nymphal dorsal abdominal gland secretions of Riptortus pedestris (Heteroptera: Alydidae) and Thasus acutangulus (Heteroptera: Coreidae), and the metathoracic scent gland secretion of Euschistus biformis (Heteroptera: Pentatomidae) adults were identified by gas chromatography/mass spectrometry (GC/MS). (E)-2-Hexenal, 4-oxo-(E)-2-hexenal (4-OHE), and (E)-2-octenal were found in all three species and deemed likely candidates for repelling predators. In addition to (E)-2-alkenals, the adult E. biformis secreted (E)-2-hexenyl acetate, (E)-2-octenyl acetate, and four hydrocarbons. We evaluated the potential predator repellent properties of these compounds and compound blends against a generalist, cosmopolitan insect predator, the Chinese praying mantid (Mantodea: Mantidae: Tenodera aridifolia sinensis). Mantids that experienced (E)-2-hexenal, (E)-2-octenal, and (E)-2-octenyl acetate moved away from the site of interaction, while 4-OHE and (E)-2-hexenyl acetate did not affect mantid behavior. The compound blends did not have additive or synergistic repellency effects on predator behavior. Compound repellency was not related to compound volatility. Instead, the repellent effect is likely related to predator olfaction, and the affinity of each compound to receptors on the antennae. Our results also suggest the repellents might intensify the visual defensive signals of aposematism (T. acutangulus nymphs) and mimicry (R. pedestris nymphs) in heteropteran bugs.

  9. Evaluating conditioning of related and unrelated stimuli using a compound test. (United States)

    Rescorla, Robert A


    Three experiments used a compound test procedure to evaluate whether superior conditioning results from the pairing of stimuli that are related to each other. In each case, a stimulus compound was tested after its component conditioned stimuli (CSs) had been conditioned by the same unconditioned stimuli (USs) arranged such that either related or unrelated CSs and USs were paired. Experiment 1 explored auditory and gustatory stimuli conditioned by LiCl or shock, using rats. Experiments 2 and 3 used second-order conditioning in pigeons to pair stimuli that were similar by virtue either of qualitative features or of shared physical location. In each case, the compound test provided clear evidence that pairing related stimuli produces superior associative learning.

  10. Inhibition of citrus postharvest pathogens by vapor of citral and related compounds in culture. (United States)

    Wuryatmo, Erminawati; Klieber, Andreas; Scott, Eileen S


    The vapors of citral, its isomers geranial and neral, and its related compounds were examined for their effect on Penicillium digitatum, Penicillium italicum, and Geotrichum candidum, the major fungi responsible for postharvest spoilage of citrus. Vapor of citral and its two isomers generated from 15 microL L(-1) aqueous solutions in Petri dishes inhibited development of the three pathogens, with concentrations of 2-6 microL L(-1) also being effective against P. italicum. Vapors of citral and geranial from 15 microL L(-1) solutions were fungicidal to P. digitatum and G. candidum, while neral was fungicidal to G. candidum. Citral-related compounds were much less effective, with effectiveness decreasing from citronellal to citronellol and citronellic acid. R and S isomers of these three citral-related compounds generally had similar effects on the fungi tested.

  11. Characterization of type IV antifreeze gene in Nile tilapia (Oreochromis niloticus) and influence of cold and hot weather on its expression and some immune-related genes. (United States)

    Ammar, Asmma Y; El Nahas, Abeer F; Mahmoud, Shawky; Barakat, Mohamed E; Hassan, Asmaa M


    The aim of this work is to study the effect of the thermal stress of ambient temperature during winter and summer on the expression of type IV antifreeze gene (ANF IV) in different tissues of Nile tilapia (Oreochromis niloticus) as well as some immune-related genes. At first, genomic ANF IV gene was characterized from one fish; 124 amino acids were identified with 92.7% similarity with that on the gene bank. Expression of ANF IV and immune-related genes were done twice, once at the end of December (winter sample, temperature 14 °C) and the other at August (summer sample, temperature 36 °C). Assessment of ANF IV gene expression in different organs of fish was done; splenic mRNA was used for assessment of immune-related gene transcripts (CXCl2 chemokine, cc-chemokine, INF-3A, and MHC IIβ). Winter expression analysis of AFP IV in O. niloticus revealed significant upregulation of mRNA transcript levels in the intestine, gills, skin, spleen, liver, and brain with 324.03-, 170.06-, 107.63-, 97.61-, 94.35-, and 27.85-folds, respectively. Furthermore, upregulation in the gene was observed in some organs during summer: in the liver, gills, skin, intestine, and brain with lower levels compared with winter. The level of expression of immune-related genes in winter is significantly higher than summer in all assessed genes. Cc-chemokine gene expression was the most affected in both winter and summer. Variable expression profile of ANF IV in different organs and in different seasons together with its amino acid similarity of N-terminal and C-terminal with apolipoprotein (lipid binder) and form of high-density lipoprotein (HDL) suggests a different role for this protein which may be related to lipid metabolism.

  12. Screening plant derived dietary phenolic compounds for bioactivity related to cardiovascular disease. (United States)

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


    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.

  13. Method and device for the detection of phenol and related compounds. [in an electrochemical cell (United States)

    Schiller, J. G.; Liu, C. C. (Inventor)


    A method is described which permits the selective oxidation and potentiometric detection of phenol and related compounds in an electrochemical cell. An anode coated with a gel immobilized oxidative enzyme and a cathode are each placed in an electrolyte solution. The potential of the cell is measured by a potentiometer connected to the electrodes.

  14. Signals of speciation: Volatile organic compounds resolve closely related sagebrush taxa, suggesting their importance in evolution (United States)

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


    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.


    Directory of Open Access Journals (Sweden)

    Dragan Martinović


    Full Text Available Continuous monitoring of the level of motor development is one of the primary goals of teaching physical education. Gaining diversified movement experience and developing coordination is of particular importance at early school age. This is why modern approaches to teaching physical education give emphasis to the application of elements of sports games from the earliest age. Handball is a sports game which can be applied from the earliest school age because it abounds with a variety of movement tasks and includes natural forms of movement (running, jumping, throwing, etc.. Therefore, there is a great need for specific motor tests in handball. Specific motor tests are of great value, especially if observed in comparison to general motor skills results: handball requires a specific level of physical aptitude at the same timeinfluencing its further development and sustainability with its versatile contents. The specific coordination test "ball slalom" is broadly applicable and important in the overview of individual skills and can contribute to early guidance and selection in handball. That is why we tested general motor skills on a sample of 60 female students in the IV primary school grade. The testing was based on a battery of tests with the aim to find the mutual relations between these skills and the specific coordination test of "ball slalom". The aim was to check the possibilities of including a school of handball in the regular physical education curriculum.

  16. 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)


    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.

  17. Phenolic Melatonin-Related Compounds: Their Role as Chemical Protectors against Oxidative Stress

    Directory of Open Access Journals (Sweden)

    Annia Galano


    Full Text Available There is currently no doubt about the serious threat that oxidative stress (OS poses to human health. Therefore, a crucial strategy to maintain a good health status is to identify molecules capable of offering protection against OS through chemical routes. Based on the known efficiency of the phenolic and melatonin (MLT families of compounds as antioxidants, it is logical to assume that phenolic MLT-related compounds should be (at least equally efficient. Unfortunately, they have been less investigated than phenols, MLT and its non-phenolic metabolites in this context. The evidence reviewed here strongly suggests that MLT phenolic derivatives can act as both primary and secondary antioxidants, exerting their protection through diverse chemical routes. They all seem to be better free radical scavengers than MLT and Trolox, while some of them also surpass ascorbic acid and resveratrol. However, there are still many aspects that deserve further investigations for this kind of compounds.

  18. In vitro anti-HCV activities of Saxifraga melanocentra and its related polyphenolic compounds. (United States)

    Zuo, Guo-Ying; Li, Zheng-Quan; Chen, Li-Rong; Xu, Xiao-Jie


    The aim of this study was to search for new natural anti-HCV agents from Chinese herbal medicine. Bioactivity-guided extraction and isolation methods were used. Active part and pure compounds were obtained from ethanolic extract of Saxifraga melanocentra Franch. and their in vitro inhibitory activities (IC50) against HCV NS3 serine protease were tested by enzyme-linked immunosorbent assay. Results showed that the polyphenolic ethyl acetate part of the herbal extract was the most active, and from this 18 polyphenols representing active compounds were isolated and identified. IC50 values of these compounds and five related ones were obtained. A broad-degree of anti-HCV activity was observed among them in the following order: gallated esters of D-glucose and rutin (0.68-4.86 microM)> flavonoids (33.11-370.37 microM)> gallic acid and its methyl and ethyl esters, Bergenin and others (over 1000 microM). The most active compound was 1,2,3,4,6-penta-O-galloyl-beta-D-glucoside (0.68 microM). In conclusion, polyphenols were responsible for the anti-HCV constitution of S. melanocentra, and multigallated esters of D-glucose possessed the strongest inhibition against HCV NS3 serine protease and little cytotoxic effect, suggesting the potential use of these compounds for designing and developing drugs for treatment of the viral infection.

  19. The impact of guest compounds on cyclodextrin aggregation behavior: A series of structurally related parabens. (United States)

    Stappaerts, Jef; Do Thi, Thao; Dominguez-Vega, Elena; Somsen, Govert W; Van den Mooter, Guy; Augustijns, Patrick


    Several studies have demonstrated the presence of aggregates in aqueous cyclodextrin containing solutions. The presence of guest compounds has been shown to influence this cyclodextrin aggregation process. In an attempt to gain insight into the effect of the physicochemical properties of the guest compound on 2-hydroxypropyl-β-cyclodextrin aggregation formation, a series of structurally related parabens was selected as model compounds. Using nuclear magnetic resonance spectroscopy and phase solubility studies, these parabens, differing only in side chain length, were demonstrated to form inclusion complexes with 2-hydroxypropyl-β-cyclodextrin. Additional techniques were subsequently applied to evaluate the aggregation behavior of this cyclodextrin in presence of the selected parabens. Solutions containing a broad range of 2-hydroxypropyl-β-cyclodextrin concentrations were saturated with the guest compounds and were used as test media. Results obtained from dialysis experiments, dynamic light scattering and mass spectrometry revealed a positive effect of the side chain length of the parabens on aggregate formation: in presence of heptylparaben, more and larger aggregates were observed than in presence of parabens with shorter side chains such as methyl- and butylparaben. No clear connection could be demonstrated between the cyclodextrin concentration and the extent of aggregate formation in presence of the guest compound. Copyright © 2017 Elsevier B.V. All rights reserved.

  20. Determination of catecholamines and related compounds in mouse urine using column-switching HPLC. (United States)

    Kanamori, Takahiro; Funatsu, Takashi; Tsunoda, Makoto


    We have developed an analytical method for the determination of catecholamines and related compounds in mouse urine by column-switching HPLC. Selective extraction of the catechol compounds was performed using a precolumn modified with phenylboronic acid, which has a pH dependent affinity for the catechol structures. The pretreatment buffer, which facilitated binding of the catechols to the precolumn, was optimized to ensure high analyte recoveries and good peak shapes. We found that using the same acetonitrile content in the pretreatment buffer and hydrophilic interaction liquid chromatography mobile phase was necessary to improve peak shapes. Eight catechol compounds were selectively extracted and separated using 100 mmol L(-1) ammonium formate/acetonitrile (20/80 v/v, pH 8.0) for the extraction step, and 20 mmol L(-1) ammonium formate (pH 2.5)/acetonitrile (20/80 v/v) for elution and separation. Native fluorescence of the separated catechol compounds was monitored, and the limits of detection, corresponding to a signal to noise ratio of 3, were 9-58 nmol L(-1). Five catechol compounds (dopamine, epinephrine, norepinephrine, 3,4-dihydroxyphenylglycol, and 3,4-dihydroxymandelic acid) were successfully quantified in mouse urine. Intra- and inter-day precisions were less than 10%, and performance was superior to that afforded by manual sample pretreatment.

  1. A novel method for measuring the ATP-related compounds in human erythrocytes. (United States)

    Aragon-Martinez, Othoniel Hugo; Galicia, Othir; Isiordia-Espinoza, Mario Alberto; Martinez-Morales, Flavio


    The ATP-related compounds in whole blood or red blood cells have been used to evaluate the energy status of erythrocytes and the degradation level of the phosphorylated compounds under various conditions, such as chronic renal failure, drug monitoring, cancer, exposure to environmental toxics, and organ preservation. The complete interpretation of the energetic homeostasis of erythrocytes is only performed using the compounds involved in the degradation pathway for adenine nucleotides alongside the uric acid value. For the first time, we report a liquid chromatographic method using a diode array detector that measures all of these compounds in a small human whole blood sample (125 μL) within an acceptable time of 20 min. The stability was evaluated for all of the compounds and ranged from 96.3 to 105.1% versus the day zero values. The measurement had an adequate sensitivity for the ATP-related compounds (detection limits from 0.001 to 0.097 μmol/L and quantification limits from 0.004 to 0.294 μmol/L). This method is particularly useful for measuring inosine monophosphate, inosine, hypoxanthine, and uric acid. Moreover, this assay had acceptable linearity (r > 0.990), precision (coefficients of variation ranged from 0.1 to 2.0%), specificity (similar retention times and spectra in all samples) and recoveries (ranged from 89.2 to 104.9%). The newly developed method is invaluable for assessing the energetic homeostasis of red blood cells under diverse conditions, such as in vitro experiments and clinical settings.

  2. Inhibition of Cytochrome P450 3A in Rat Liver by the Diorganotin (IV Compound di-n-Butyl-di-(4-chlorobenzo-hydroxamatotin (IV and Its Probable Mechanism

    Directory of Open Access Journals (Sweden)

    Qingshan Li


    Full Text Available The specific aims of this study were to evaluate the inhibition effect on CYP3A of di-n-butyl-di-(4-chlorobenzohydroxamatotin (IV (DBDCT, a tin-based complex with high antitumor activity, and the probable mechanism(s of this action. Adult male SD rats were treated separately with natural saline (NS, lipopolysaccharide (LPS, 5 mg/kg, DBDCT (1.25, 2.5 and 5.0 mg/kg intraperitoneally for 2 days after induction of CYP3A with dexamethasone (DEX, 100 mg/kg for 4 days. Western blot analysis and fluorescent quantitation PCR (FQ-PCR were conducted to determine the changes in expression of CYP3A, PXR, CAR and RXR. The biological accumulation of DBDCT and total Sn were determined by high-performance liquid chromatography (HPLC and atomic fluorescence spectrometry (AFS. CYP450 content and CYP3A activities were significantly inhibited (p < 0.05 in DBDCT-treated rats compared with the control group, as was the expression of CYP3A (p < 0.05 at both protein and mRNA levels. In DBDCT-treated groups, the expression of PXR protein and mRNA increased, while the expression of CAR decreased. The biological accumulation of DBDCT and Sn in rat livers treated with DBDCT was high. The accumulation of DBDCT and Sn due to the inhibition of CYP3A may be involved in the mechanism of toxicity of DBDCT in rat liver.

  3. Phenolic compounds in blackcurrant (Ribes nigrum L.) leaves relative to leaf position and harvest date. (United States)

    Vagiri, Michael; Conner, Sean; Stewart, Derek; Andersson, Staffan C; Verrall, Susan; Johansson, Eva; Rumpunen, Kimmo


    Blackcurrant leaves are an essential source of phenolic compounds and this study investigated their variation relative to leaf positions and harvest date. The phenolic content varied between harvest dates, although leaf position on the shoot and interactions also played an important role. The contents of quercetin-malonyl-glucoside, kaempferol-malonyl-glucoside isomer and kaempferol-malonyl-glucoside were higher than that of the other identified phenolic compounds, whereas epigallocatechin was the lowest for all investigated leaf positions and harvest dates. The content of several of the compounds was highest in June, while quercetin-glucoside, kaempferol-glucoside and total phenols, increased towards the end of the season. Leaf position influenced the content of myricetin-malonyl-glucoside, myricetin-malonyl-glucoside isomer, quercetin-malonyl-glucoside and kaempferol-glucoside at the end of the season. Knowledge relating to the influence of ontogenetic and harvest time on the content of specific phenolic compounds might contribute in tailoring functional foods or pharmaceutical products using blackcurrant leaves as natural ingredients. Copyright © 2014 Elsevier Ltd. All rights reserved.

  4. Family Psychiatric History Evidence on the Nosological Relations of DSM-IV ADHD Combined and Inattentive Subtypes: New Data and Meta-Analysis (United States)

    Stawicki, Julie Ann; Nigg, Joel T.; Von Eye, Alexander


    Background: A key issue in the nosology of attention deficit hyperactivity disorder (ADHD) has concerned whether the DSM-IV combined (ADHD-C) and primarily inattentive (ADHD-PI) subtypes are in fact distinct disorders, or instead are fairly closely related, perhaps differing only in severity. Pertinent to this question, but in short supply, are…

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

    Energy Technology Data Exchange (ETDEWEB)

    Rosen, R.K.


    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}.

  6. Asteroids IV (United States)

    Michel, Patrick; DeMeo, Francesca E.; Bottke, William F.

    Asteroids are fascinating worlds. Considered the building blocks of our planets, many of the authors of this book have devoted their scientific careers to exploring them with the tools of our trade: ground- and spacebased observations, in situ space missions, and studies that run the gamut from theoretical modeling efforts to laboratory work. Like fossils for paleontologists, or DNA for geneticists, they allow us to construct a veritable time machine and provide us with tantalizing glimpses of the earliest nature of our solar system. By investigating them, we can probe what our home system was like before life or even the planets existed. The origin and evolution of life on our planet is also intertwined with asteroids in a different way. It is believed that impacts on the primordial Earth may have delivered the basic components for life, with biology favoring attributes that could more easily survive the aftermath of such energetic events. In this fashion, asteroids may have banished many probable avenues for life to relative obscurity. Similarly, they may have also prevented our biosphere from becoming more complex until more recent eras. The full tale of asteroid impacts on the history of our world, and how human life managed to emerge from myriad possibilities, has yet to be fully told. The hazard posed by asteroid impacts to our civilization is low but singular. The design of efficient mitigation strategies strongly relies on asteroid detection by our ground- and spacebased surveys as well as knowledge of their physical properties. A more positive motivation for asteroid discovery is that the proximity of some asteroids to Earth may allow future astronauts to harvest their water and rare mineral resources for use in exploration. A key goal of asteroid science is therefore to learn how humans and robotic probes can interact with asteroids (and extract their materials) in an efficient way. We expect that these adventures may be commonplace in the future

  7. Semantic Relations in Compound Nouns: Perspectives from Inter-Annotator Agreement. (United States)

    Yadav, Prabha; Jezek, Elisabetta; Bouillon, Pierrette; Callahan, Tiffany J; Bada, Michael; Hunter, Lawrence E; Cohen, K Bretonnel


    Semantic relations have been studied for decades without yet reaching consensus on the set of these relations. However, biomedical language processing and ontologies rely on these relations, so it is important to be able to evaluate their suitability. In this paper we examine the role of inter-annotator agreement in choosing between competing proposals regarding the set of such relations. The experiments consisted of labeling the semantic relations between two elements of noun-noun compounds (e.g. cell migration). Two judges annotated a dataset of terms from the biomedical domain using two competing sets of relations and analyzed the inter-annotator agreement. With no training and little documentation, agreement on this task was fairly high and disagreements were consistent. The results support the utility of the relation-based approach to semantic representation.

  8. Thermoelectric properties of thin film and superlattice structure of IV-VI and V-VI compound semiconductors; Thermoelektrische Eigenschaften duenner Schichten und Uebergitterstrukturen von IV-VI- und V-VI-Verbundhalbleitern

    Energy Technology Data Exchange (ETDEWEB)

    Blumers, Mathias


    The basic material property governing the efficiency of thermoelectric applications is the thermoelectric figure of merit Z=S{sup 2}.{sigma}/k, where S is the Seebeck-coefficient, {sigma} is the electrical conductivity and k the thermal conductivity. A promising concept of increasing Z by one and two dimensional quantum well superlattices (QW-SL) was introduced in the early 1990s in terms of theoretical predictions. The realization of such low dimensional systems is done by use of semiconductor compounds with different energy gaps. The ambition of the Nitherma project was to investigate the thermoelectric properties of superlattices and Multi-Quantum-Well-structures (MQW) made of Pb{sub 1-x}Sr{sub x}Te and Bi{sub 2}(Se{sub x}Te{sub 1-x}){sub 3}, respectively. Therefore SL- and MQW-structures of this materials were grown and Z was determined by measuring of S, {sigma} and {kappa} parallel to the layer planes. Aim of this thesis is the interpretation of the transport measurements (S,{sigma},{kappa}) of low dimensional structures and the improvement of preparation and measurement techniques. The influence of low dimensionality on the thermal conductivity in SL- and MQW-structures was investigated by measurements on structures with different layer thicknesses. In addition, measurements of the Seebeck-coefficient were performed, also to verify the results of the participating groups.

  9. Determination of diclofenac sodium and related compounds in raw materials and formulations. (United States)

    Beaulieu, N; Lovering, E G; Lefrançois, J; Ong, H


    A liquid chromatographic method has been developed for determination of drug and related compounds in diclofenac sodium raw material, slow-release, and enteric coated tablets. The method specifies a 5 microns octadecylsilane bonded phase column, a mobile phase of tetrahydrofuran-acetonitrile-buffer, pH 5 (1 + 4 + 8.3), and detection at 229 nm. The method resolves 10 known related compounds with limits of quantitation of 0.2% or less. Seventeen drug raw material samples were evaluated. Total impurity levels ranged from 0.1 to 0.9%. The method has also been used for determination of drug content in raw materials and formulations. Mean assay levels in drug raw materials ranged between 98.3% and 101.8%.

  10. Recent Progress on Enyne Metathesis: Its Application to Syntheses of Natural Products and Related Compounds (United States)

    Mori, Miwako


    Olefin metathesis using ruthenium carbene complexes is a useful method in synthetic organic chemistry. Enyne metathesis is also catalyzed by these complexes and various carbo- and heterocycles could be synthesized from the corresponding enynes. Dienyne metathesis, cross enyne metathesis and ring-opening enyne metathesis have been further developed. Various complicated compounds, such as the natural products and the related biologically active substances, could be synthesized using these metatheses reactions. Skeletal reorganization using the transition metals and metallotropic rearrangement are also discussed.

  11. Localization of Salvinorin A and Related Compounds in Glandular Trichomes of the Psychoactive Sage, Salvia divinorum




    • Background and Aims Salvia divinorum produces several closely related neoclerodane diterpenes. The most abundant of these, salvinorin A, is responsible for the psychoactive properties of the plant. To determine where these compounds occur in the plant, various organs, tissues and glandular secretions were chemically analysed. A microscopic survey of the S. divinorum plant was performed to examine the various types of trichomes present and to determine their distribution.

  12. Metabolic profiling approach to explore compounds related to the umami intensity of soy sauce. (United States)

    Shiga, Kazuki; Yamamoto, Shinya; Nakajima, Ayako; Kodama, Yukako; Imamura, Miho; Sato, Tsuneo; Uchida, Riichiro; Obata, Akio; Bamba, Takeshi; Fukusaki, Eiichiro


    A metabolic profiling approach was employed to explore the compounds that affect the intensity of umami taste in soy sauce. Twenty-five kinds of soy sauces were analyzed using GC-MS and LC-MS, wherein measurement data for 427 compounds were obtained. The umami taste intensity of each soy sauce sample was also quantitated by sensory evaluation and a projection to latent structure (PLS) regression analysis was conducted using the compounds' measurements and umami taste intensity data. Variable importance for the projection (VIP) value obtained via PLS was used for the estimation of the relevance for umami taste intensity. N-(1-Deoxyfructos-1-yl)glutamic acid (Fru-Glu) had the highest VIP value, and addition of Fru-Glu to soy sauce increased umami taste intensity better than glutamic acid at the same concentration as confirmed by sensory evaluation. This study showed that the combination of metabolic profiling approach and sensory evaluation can be used effectively to determine compounds related to taste.

  13. Profiling of Nutritional and Health-Related Compounds in Oat Varieties. (United States)

    van den Broeck, Hetty C; Londono, Diana M; Timmer, Ruud; Smulders, Marinus J M; Gilissen, Ludovicus J W J; van der Meer, Ingrid M


    The use of oats in the human diet has decreased over the past 70 years. This is an unfortunate development from the perspective of human health because oats have a high nutritional value and contain many compounds, including β-glucan, polyphenols, vitamins, and unsaturated fatty acids that are able to maintain or may even improve consumer's health. In addition, oats fit into a gluten-free diet of celiac disease patients because they lack the T-cell stimulating epitopes from wheat, rye, and barley. We focused on the presence of health-related compounds in oats and how their levels vary among varieties in response to the type of soil. Ten oat varieties were grown in the Netherlands in sandy and clay soil and were analyzed for the presence and concentration of healthy compounds (β-glucan, fatty acids, vitamin E, and antioxidant activity), avenin composition, total protein and starch content, and agronomical characteristics. Principal component analysis showed that genetic background influenced the levels of all analyzed components. Protein, starch, β-glucan, and antioxidants were also affected by the type of soil. The obtained results showed that this kind of analysis can be used to profile oat varieties in general and enables the selection of specific varieties with specific compound characteristics.

  14. Profiling of Nutritional and Health-Related Compounds in Oat Varieties

    Directory of Open Access Journals (Sweden)

    Hetty C. van den Broeck


    Full Text Available The use of oats in the human diet has decreased over the past 70 years. This is an unfortunate development from the perspective of human health because oats have a high nutritional value and contain many compounds, including β-glucan, polyphenols, vitamins, and unsaturated fatty acids that are able to maintain or may even improve consumer’s health. In addition, oats fit into a gluten-free diet of celiac disease patients because they lack the T-cell stimulating epitopes from wheat, rye, and barley. We focused on the presence of health-related compounds in oats and how their levels vary among varieties in response to the type of soil. Ten oat varieties were grown in the Netherlands in sandy and clay soil and were analyzed for the presence and concentration of healthy compounds (β-glucan, fatty acids, vitamin E, and antioxidant activity, avenin composition, total protein and starch content, and agronomical characteristics. Principal component analysis showed that genetic background influenced the levels of all analyzed components. Protein, starch, β-glucan, and antioxidants were also affected by the type of soil. The obtained results showed that this kind of analysis can be used to profile oat varieties in general and enables the selection of specific varieties with specific compound characteristics.

  15. A DSM-IV Axis I comorbidity study of males (n = 120) with paraphilias and paraphilia-related disorders. (United States)

    Kafka, Martin P; Hennen, John


    One hundred and twenty consecutively evaluated outpatient males with paraphilias (PAs; n = 88, including 60 sex offenders) and paraphilia-related disorders (PRDs; n = 32) were systematically assessed for certain developmental variables and DSM-IV-defined Axis I comorbidity. In comparison with the PRDs, the PA group was statistically significantly more likely to self-report a higher incidence of physical (but not sexual) abuse, fewer years of completed education, a higher prevalence of school-associated learning and behavioral problems, more psychiatric/substance abuse hospitalizations, and increased employment-related disability as well as more lifetime contact with the criminal justice system. In both groups, the most prevalent Axis I disorders were mood disorders (71.6%), especially early onset dysthymic disorder (55%) and major depression (39%). Anxiety disorders (38.3%), especially social phobia (21.6%), and psychoactive substance abuse (40.8%), especially alcohol abuse (30%), were reported as well. Cocaine abuse was statistically significantly associated with PA males (p = .03). There was a statistically significant correlation between the lifetime prevalence of Axis I nonsexual diagnoses and hypersexual diagnoses (PAs and PRDs). The prevalence of retrospectively diagnosed attention deficit hyperactivity disorder (ADHD) was 35.8%, the third most prevalent Axis I disorder. ADHD (p = .01), especially ADHD-combined subtype (p = .009), was statistically significantly associated with PA status. ADHD was statistically significantly associated with conduct disorder, and both of these Axis I disorders were associated with the propensity for multiple PAs and a higher likelihood of incarceration. When the diagnosis of ADHD was controlled, the differences reported above between PAs and PRDs either became statistically nonsignificant or remained as only statistical trends. Thus, ADHD and its associated developmental sequellae and Axis I comorbidities was the single most

  16. Temporal Lobe Reactions After Carbon Ion Radiation Therapy: Comparison of Relative Biological Effectiveness–Weighted Tolerance Doses Predicted by Local Effect Models I and IV

    Energy Technology Data Exchange (ETDEWEB)

    Gillmann, Clarissa, E-mail: [Department of Radiation Oncology and Radiation Therapy, Heidelberg University Hospital, Heidelberg (Germany); Jäkel, Oliver [Department of Radiation Oncology and Radiation Therapy, Heidelberg University Hospital, Heidelberg (Germany); Heidelberg Ion Beam Therapy Center (HIT), Heidelberg (Germany); Department of Medical Physics in Radiation Oncology, German Cancer Research Center (DKFZ), Heidelberg (Germany); Schlampp, Ingmar [Department of Radiation Oncology and Radiation Therapy, Heidelberg University Hospital, Heidelberg (Germany); Karger, Christian P. [Department of Medical Physics in Radiation Oncology, German Cancer Research Center (DKFZ), Heidelberg (Germany)


    Purpose: To compare the relative biological effectiveness (RBE)–weighted tolerance doses for temporal lobe reactions after carbon ion radiation therapy using 2 different versions of the local effect model (LEM I vs LEM IV) for the same patient collective under identical conditions. Methods and Materials: In a previous study, 59 patients were investigated, of whom 10 experienced temporal lobe reactions (TLR) after carbon ion radiation therapy for low-grade skull-base chordoma and chondrosarcoma at Helmholtzzentrum für Schwerionenforschung (GSI) in Darmstadt, Germany in 2002 and 2003. TLR were detected as visible contrast enhancements on T1-weighted MRI images within a median follow-up time of 2.5 years. Although the derived RBE-weighted temporal lobe doses were based on the clinically applied LEM I, we have now recalculated the RBE-weighted dose distributions using LEM IV and derived dose-response curves with Dmax,V-1 cm³ (the RBE-weighted maximum dose in the remaining temporal lobe volume, excluding the volume of 1 cm³ with the highest dose) as an independent dosimetric variable. The resulting RBE-weighted tolerance doses were compared with those of the previous study to assess the clinical impact of LEM IV relative to LEM I. Results: The dose-response curve of LEM IV is shifted toward higher values compared to that of LEM I. The RBE-weighted tolerance dose for a 5% complication probability (TD{sub 5}) increases from 68.8 ± 3.3 to 78.3 ± 4.3 Gy (RBE) for LEM IV as compared to LEM I. Conclusions: LEM IV predicts a clinically significant increase of the RBE-weighted tolerance doses for the temporal lobe as compared to the currently applied LEM I. The limited available photon data do not allow a final conclusion as to whether RBE predictions of LEM I or LEM IV better fit better clinical experience in photon therapy. The decision about a future clinical application of LEM IV therefore requires additional analysis of temporal lobe reactions in a

  17. Electronic structure, local magnetism, and spin-orbit effects of Ir(IV)-, Ir(V)-, and Ir(VI)-based compounds

    Energy Technology Data Exchange (ETDEWEB)

    Laguna-Marco, M. A.; Kayser, P.; Alonso, J. A.; Martínez-Lope, M. J.; van Veenendaal, M.; Choi, Y.; Haskel, D.


    Element- and orbital-selective x-ray absorption and magnetic circular dichroism measurements are carried out to probe the electronic structure and magnetism of Ir 5d electronic states in double perovskite Sr2MIrO6 (M = Mg, Ca, Sc, Ti, Ni, Fe, Zn, In) and La2NiIrO6 compounds. All the studied systems present a significant influence of spin-orbit interactions in the electronic ground state. In addition, we find that the Ir 5d local magnetic moment shows different character depending on the oxidation state despite the net magnetization being similar for all the compounds. Ir carries an orbital contribution comparable to the spin contribution for Ir4+ (5d(5)) and Ir5+ (5d(4)) oxides, whereas the orbital contribution is quenched for Ir6+ (5d(3)) samples. Incorporation of a magnetic 3d atom allows getting insight into the magnetic coupling between 5d and 3d transition metals. Together with previous susceptibility and neutron diffractionmeasurements, the results indicate that Ir carries a significant local magnetic moment even in samples without a 3d metal. The size of the (small) net magnetization of these compounds is a result of predominant antiferromagnetic interactions between local moments coupled with structural details of each perovskite structure

  18. Nosologic Comparisons of DSM-IV and DSM-5 Alcohol and Drug Use Disorders: Results From the National Epidemiologic Survey on Alcohol and Related Conditions-III. (United States)

    Goldstein, Risë B; Chou, S Patricia; Smith, Sharon M; Jung, Jeesun; Zhang, Haitao; Saha, Tulshi D; Pickering, Roger P; Ruan, W June; Huang, Boji; Grant, Bridget F


    The purpose of this study was to examine prevalences and concordances between Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition (DSM-IV), and Fifth Edition (DSM-5) substance use disorders (SUDs) in a newly completed U.S. epidemiologic survey. The National Epidemiologic Survey on Alcohol and Related Conditions-III surveyed 36,309 civilian, noninstitutionalized adults. SUDs were assessed using the Alcohol Use Disorder and Associated Disabilities Interview Schedule-5. Concordances between DSM-IV and DSM-5 disorders were assessed using kappa statistics. Prevalences of past-year substance-specific DSM-5 disorders (2+ criteria) were modestly higher than those of DSM-IV dependence and abuse combined for alcohol, sedatives/tranquilizers, opioids, and heroin, but lower for cannabis, cocaine, and stimulants. Lifetime prevalences were lower under DSM-5. Prevalences were similar between moderate to severe (4+ criteria) DSM-5 disorders and dependence, whereas prevalences of DSM-5 disorders at 3+ criteria (DSM-5 [3+]) were higher, particularly for cannabis. Past-year concordances were excellent for DSM-IV dependence and abuse combined versus any DSM-5 and DSM-IV dependence versus DSM-5 moderate to severe disorders; lifetime concordances were fair to excellent. Past-year concordances between DSM-IV and DSM-5 (3+) were generally similar to or modestly higher than those with any DSM-5 disorder; lifetime concordances were mostly lower. Findings are consistent with those informing the development of DSM-5. Future research should examine differences in patterns between past-year and lifetime disorders, particularly for cannabis. Other questions warranting investigation include whether different combinations of the same numbers of criteria carry different clinical or nosologic implications, whether changes innosology yield changes in treatment demand, and whether changes in characteristics of individuals with DSM-5 SUDs dictate modifications to screening and

  19. Nosologic Comparisons of DSM-IV and DSM-5 Alcohol and Drug Use Disorders: Results From the National Epidemiologic Survey on Alcohol and Related Conditions–III (United States)

    Goldstein, Risë B.; Chou, S. Patricia; Smith, Sharon M.; Jung, Jeesun; Zhang, Haitao; Saha, Tulshi D.; Pickering, Roger P.; June Ruan, W.; Huang, Boji; Grant, Bridget F.


    Objective: The purpose of this study was to examine prevalences and concordances between Diagnostic and Statistical Manual of Mental Disorders, Fourth Edition (DSM-IV), and Fifth Edition (DSM-5) substance use disorders (SUDs) in a newly completed U.S. epidemiologic survey. Method: The National Epidemiologic Survey on Alcohol and Related Conditions–III surveyed 36,309 civilian, noninstitutionalized adults. SUDs were assessed using the Alcohol Use Disorder and Associated Disabilities Interview Schedule–5. Concordances between DSM-IV and DSM-5 disorders were assessed using kappa statistics. Results: Prevalences of past-year substance-specific DSM-5 disorders (2+ criteria) were modestly higher than those of DSM-IV dependence and abuse combined for alcohol, sedatives/tranquilizers, opioids, and heroin, but lower for cannabis, cocaine, and stimulants. Lifetime prevalences were lower under DSM-5. Prevalences were similar between moderate to severe (4+ criteria) DSM-5 disorders and dependence, whereas prevalences of DSM-5 disorders at 3+ criteria (DSM-5 [3+]) were higher, particularly for cannabis. Past-year concordances were excellent for DSM-IV dependence and abuse combined versus any DSM-5 and DSM-IV dependence versus DSM-5 moderate to severe disorders; lifetime concordances were fair to excellent. Past-year concordances between DSM-IV and DSM-5 (3+) were generally similar to or modestly higher than those with any DSM-5 disorder; lifetime concordances were mostly lower. Conclusions: Findings are consistent with those informing the development of DSM-5. Future research should examine differences in patterns between past-year and lifetime disorders, particularly for cannabis. Other questions warranting investigation include whether different combinations of the same numbers of criteria carry different clinical or nosologic implications, whether changes innosology yield changes in treatment demand, and whether changes in characteristics of individuals with DSM-5 SUDs

  20. Germination of Aspergillus niger conidia is triggered by nitrogen compounds related to L-amino acids. (United States)

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


    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,, 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.

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


    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.

  2. NMR and theoretical investigations on the structures and dynamics of octahedral bis(chelate)dichloro V(III) compounds isolated by an unusual reduction of non-oxo V(IV) species. (United States)

    Rikkou, Maria; Manos, Manolis; Tolis, Evangelos; Sigalas, Michael P; Kabanos, Themistoklis A; Keramidas, Anastasios D


    Reaction of the non-oxo V(IV) species [V(IV)Cl(2)(L(OO))(2)] [L(OO) = acetylacetonate (acac(-)) or benzoylacetonate (bzac(-))] with a chelate nitrogen-donor ligand L(NN) in acetonitrile leads to the reduction of V(IV) to V(III) and the formation of the mononuclear V(III) compounds of the general formula [V(III)Cl(2)(L(OO))(L(NN))] (L(OO) and L(NN) are acac(-) and bipy for 1; acac- and 5,5'-me(2)bipy for 2; acac(-) and 4,4'-tb(2)bipy for 3; acac(-) and phen for 4; bzac(-) and bipy for 5; bzac(-) and phen for 6). The reduction of the V(IV) complexes was monitored by GC-MS and (1)H NMR spectroscopy. Both one- and two-dimensional (2D COSY and 2D EXSY) (1)H NMR techniques were used to assign the observed (1)H NMR resonances of 1-6 in CD(2)Cl(2) or CDCl(3) solution. It appeared that in solution these V(III) complexes form two isomers which are in equilibrium: cis-[V(III)Cl(2)(L(OO))(L(NN))] trans-[V(III)Cl(2)(L(OO))(L(NN))]. 2D EXSY cross-peaks were clearly observed between bipy- and acac-hydrogen atoms of the two geometrical isomers of 1-3 as well as between bipy and acac(-) protons of the cis isomer, indicating a dynamic process that corresponds to cis-trans isomerization and a cis-cis racemization. The thermodynamic and kinetic parameters of the equilibrium between these two isomers were calculated for compounds 1 and 2 by using variable temperature (VT) NMR data. Both cis-trans isomerization and cis-cis racemization processes probably proceed with an intramolecular twist mechanism involving a trigonal prismatic transition state. Density functional calculations (DFT) also indicated such a rearrangement mechanism.

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

    Directory of Open Access Journals (Sweden)

    Pedro Rodríguez-Rodríguez


    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.

  4. Aromatic metabolism of filamentous fungi in relation to the presence of aromatic compounds in plant biomass. (United States)

    Mäkelä, Miia R; Marinović, Mila; Nousiainen, Paula; Liwanag, April J M; Benoit, Isabelle; Sipilä, Jussi; Hatakka, Annele; de Vries, Ronald P; Hildén, Kristiina S


    The biological conversion of plant lignocellulose plays an essential role not only in carbon cycling in terrestrial ecosystems but also is an important part of the production of second generation biofuels and biochemicals. The presence of the recalcitrant aromatic polymer lignin is one of the major obstacles in the biofuel/biochemical production process and therefore microbial degradation of lignin is receiving a great deal of attention. Fungi are the main degraders of plant biomass, and in particular the basidiomycete white rot fungi are of major importance in converting plant aromatics due to their ability to degrade lignin. However, the aromatic monomers that are released from lignin and other aromatic compounds of plant biomass are toxic for most fungi already at low levels, and therefore conversion of these compounds to less toxic metabolites is essential for fungi. Although the release of aromatic compounds from plant biomass by fungi has been studied extensively, relatively little attention has been given to the metabolic pathways that convert the resulting aromatic monomers. In this review we provide an overview of the aromatic components of plant biomass, and their release and conversion by fungi. Finally, we will summarize the applications of fungal systems related to plant aromatics. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Salvinorin a and related compounds as therapeutic drugs for psychostimulant-related disorders. (United States)

    dos Santos, R G; Crippa, J A S; Machado-de-Sousa, J P; Hallak, J E C


    Pharmacological treatments are available for alcohol, nicotine, and opioid dependence, and several drugs for cannabis-related disorders are currently under investigation. On the other hand, psychostimulant abuse and dependence lacks pharmacological treatment. Mesolimbic dopaminergic neurons mediate the motivation to use drugs and drug-induced euphoria, and psychostimulants (cocaine, amphetamine, and methamphetamine) produce their effects in these neurons, which may be modulated by the opioid system. Salvinorin A is a κ-opioid receptor agonist extracted from Salvia divinorum, a hallucinogenic plant used in magico-ritual contexts by Mazateca Indians in México. Salvinorin A and its analogues have demonstrated anti-addiction effects in animal models using psychostimulants by attenuating dopamine release, sensitization, and other neurochemical and behavioral alterations associated with acute and prolonged administration of these drugs. The objective of the present article is to present an overview of the preclinical evidence suggesting anti-addictive effects of salvinorin A and its analogues.

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

    CERN Document Server

    Isago, Hiroaki


    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...

  7. 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


    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.

  8. The effect of various acrylonitriles and related compounds on prostaglandin biosynthesis. (United States)

    Michel, F; Mercklein, L; de Paulet, A C; Doré, J C; Gilbert, J; Miquel, J F


    We have studied the effect of nearly 90 arylacrylonitrile derivatives, and several related compounds, on the biosynthesis of prostaglandins from bovine seminal vesicle microsomes. This effect was compared to that of triarylacrylonitrile derivatives known for their inhibiting properties. Several arylacrylonitrile derivatives have also proved good inhibitors, especially certain N-trisubstituted compounds: trans (dimethylamino-4 phenyl)-3 (methoxy-4' phenyl)-2 acrylonitrile was the best inhibitor of the group, with an IC50 of 0.07 microM. The absence of carboxy groups in these derivatives precludes the application of any of the site-models proposed to date. We suggest that the electronic charges carried especially by the three aromatic rings play an important role in the inhibiting mechanism.

  9. Determination of the Absolute Configuration of a Monoglyceride Antibolting Compound and Isolation of Related Compounds from Radish Leaves (Raphanus sativus). (United States)

    Ogihara, Tsuyoshi; Amano, Naruki; Mitsui, Yuki; Fujino, Kaien; Ohta, Hiroyuki; Takahashi, Kosaku; Matsuura, Hideyuki


    A monoglyceride (1) has been reported to possess an antibolting effect in radish (Raphanus sativus), but its absolute configuration at the C-2 position was not determined earlier. In this work, the absolute configuration of 1 was determined to be (2S), and it was also accompanied by one new (2) and two known monoglycerides (3 and 4). The chemical structure of 2 was determined as β-(7'Z,10'Z,13'Z)-hexadecatrienoic acid monoglyceride (β-16:3 monoglyceride). Qualitative and quantitative analytical methods for compounds 1-4 were developed, using two deuterium-labeled compounds (8 and 9) as internal standards. The results revealed a broader range of distribution of 1-4 in several annual winter crops. It was also found that these isolated compounds have an inhibitory effect on the root elongation of Arabidopsis thaliana seedlings at concentrations of 25 and 50 μM in the medium. However, the inhibitory effect of 1 was not dependent on coronatin-insensitive 1 (COI1) protein, which may suggest the involvement of an unidentified signaling system other than jasmonic acid signaling.

  10. Synthesis and biological evaluation of the natural product komaroviquinone and related compounds aiming at a potential therapeutic lead compound for high-risk multiple myeloma. (United States)

    Suto, Yutaka; Sato, Mariko; Fujimori, Kota; Kitabatake, Shotaro; Okayama, Mikio; Ichikawa, Daiju; Matsushita, Maiko; Yamagiwa, Noriyuki; Iwasaki, Genji; Kiuchi, Fumiyuki; Hattori, Yutaka


    Alternatives of treatments for multiple myeloma (MM) have become increasingly available with the advent of new drugs such as proteasome inhibitors, thalidomide derivatives, histone deacetylase inhibitors, and antibody drugs. However, high-risk MM cases that are refractory to novel drugs remain, and further optimization of chemotherapeutics is urgently needed. We had achieved asymmetric total synthesis of komaroviquinone, which is a natural product from the plant Dracocephalum komarovi. Similar to several leading antitumor agents that have been developed from natural compounds, we describe the antitumor activity and cytotoxicity of komaroviquinone and related compounds in bone marrow cells. Our data suggested that komaroviquinone-related agents have potential as starting compounds for anticancer drug development. Copyright © 2017 Elsevier Ltd. All rights reserved.

  11. Role of extracellular compounds in Cd-sequestration relative to Cd uptake by bacterium Sinorhizobium meliloti

    Energy Technology Data Exchange (ETDEWEB)

    Slaveykova, Vera I., E-mail: vera.slaveykova@epfl.c [Environmental Biophysical Chemistry, IIE-ENAC, Ecole Polytechnique Federale de Lausanne (EPFL), Station 2, CH-1015 Lausanne (Switzerland); Parthasarathy, Nalini [Department of Inorganic, Analytic and Applied Chemistry, University of Geneva, Sciences II, 30 Quai Ernest Ansermet, 1211 Geneva 4 (Switzerland); Dedieu, Karine; Toescher, Denis [Environmental Biophysical Chemistry, IIE-ENAC, Ecole Polytechnique Federale de Lausanne (EPFL), Station 2, CH-1015 Lausanne (Switzerland)


    The role of bacterially derived compounds in Cd(II) complexation and uptake by bacterium Sinorhizobium meliloti wild type (WT) and genetically modified ExoY-mutant, deficient in exopolysaccharide production, was explored combining chemical speciation measurements and assays with living bacteria. Obtained results demonstrated that WT- and ExoY-strains excreted siderophores in comparable amounts, while WT-strain produced much higher amount of exopolysaccharides and less exoproteins. An evaluation of Cd(II) distribution in bacterial suspensions under short term exposure conditions, showed that most of the Cd is bound to bacterial surface envelope, including Cd bound to the cell wall and to the attached extracellular polymeric substances. However, the amount of Cd bound to the dissolved extracellular compounds increases at high Cd(II) concentrations. The implications of these findings to more general understanding of the Cd(II) fate and cycling in the environment is discussed. - Bacterial excreted extracellular compounds play minor role in Cd(II) sequestration relative to bacteria.

  12. Section IV.D.3 for DOE 2013 Annual Report: Novel Phosphazene-based Compounds to Enhance Safety and Stability of Cell Chemistries for High Voltage Applications (INL)

    Energy Technology Data Exchange (ETDEWEB)

    Gering, Kevin L. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Harrup, Mason K. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Dufek, Eric J. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Sazhin, Sergiy V. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Rollins, Harry W. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Jamison, David K. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Stewart, Fred F. [Idaho National Lab. (INL), Idaho Falls, ID (United States); Burba, John [Idaho National Lab. (INL), Idaho Falls, ID (United States)


    Electrolytes play a central role in performance and aging in most electrochemical systems. As automotive and grid applications place a higher reliance on electrochemical stored energy, it becomes more urgent to have electrolyte components that enable optimal battery performance while promoting battery safety and longevity. Safety remains a foremost concern for widespread utilization of Li-ion technology in electric-drive vehicles, especially as the focus turns to higher voltage systems (5V). This work capitalizes on the long established INL expertise regarding phosphazene chemistry, aimed at battery-viable compounds for electrolytes and electrodes that are highly tolerant to abusive conditions. This report showcases our 2013 work for the DOE applied battery research (ABR) program, wherein testing results are summarized for INL electrolytes and alternative anode materials.

  13. Relative toxicity for indoor semi volatile organic compounds based on neuronal death. (United States)

    Fournier, Kevin; Baumont, Emmanuel; Glorennec, Philippe; Bonvallot, Nathalie


    Semi Volatile Organic Compounds (SVOCs) are contaminants commonly found in dwellings as a result of their use as plasticizers, flame retardants, or pesticides in building materials and consumer products. Many SVOCs are suspected of being neurotoxic, based on mammal experimentation (impairment of locomotor activity, spatial learning/memory or behavioral changes), raising the question of cumulative risk assessment. The aim of this work is to estimate the relative toxicity of such SVOCs, based on neuronal death. SVOCs fulfilling the following conditions were included: detection frequency >10% in dwellings, availability of data on effects or mechanism of action for neurotoxicity, and availability of dose-response relationships based on cell viability assays as a proxy of neuronal death. Benchmark concentration values (BMC) were estimated using a Hill model, and compared to assess relative toxicity. Of the 58 SVOCs selected, 28 were suspected of being neurotoxic in mammals, and 21 have been documented as inducing a decrease in cell viability in vitro. 13 have at least one dose-response relationship that can be used to derive a BMC based on a 10% fall in neuronal viability. Based on this in vitro endpoint, PCB-153 appeared to be the most toxic compound, having the lowest BMC10 (0.072μM) and diazinon the least toxic compound, having the highest BMC10 (94.35μM). We showed that experimental designs (in particular choice of cell lines) had a significant influence on BMC calculation. For the first time, the relative in vitro toxicity of 13 indoor contaminants belonging to different chemical families has been assessed on the basis of neuronal cell viability. Lack of comparable toxicity datasets limits the number of SVOCs that can be included. More standardized protocols in terms of cell lines, species and exposure duration should be developed with a view to cumulative risk assessment. Copyright © 2017 Elsevier B.V. All rights reserved.

  14. Recent Progress on Enyne Metathesis: Its Application to Syntheses of Natural Products and Related Compounds

    Directory of Open Access Journals (Sweden)

    Miwako Mori


    Full Text Available Olefin metathesis using ruthenium carbene complexes is a useful method in synthetic organic chemistry. Enyne metathesis is also catalyzed by these complexes and various carbo- and heterocycles could be synthesized from the corresponding enynes. Dienyne metathesis, cross enyne metathesis and ring-opening enyne metathesis have been further developed. Various complicated compounds, such as the natural products and the related biologically active substances, could be synthesized using these metatheses reactions. Skeletal reorganization using the transition metals and metallotropic rearrangement are also discussed.

  15. Fentanyl-related compounds and derivatives: current status and future prospects for pharmaceutical applications (United States)

    Vardanyan, Ruben S; Hruby, Victor J


    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

  16. Caffeoyl arbutin and related compounds from the buds of Vaccinium dunalianum. (United States)

    Zhao, Ping; Tanaka, Takashi; Hirabayashi, Keisuke; Zhang, Ying-Jun; Yang, Chong-Ren; Kouno, Isao


    Dunalianosides A-I (1-9), esters of arbutin and related phenolic glucosides, were isolated from the buds of Vaccinium dunalianum Wight (Ericaceae) together with 20 known compounds, and their structures were established on the basis of 1- and 2D NMR spectroscopic evidence. Dunalianosides F-H were dimers of p-hydroxyphenyl 6-O-trans-caffeoyl-beta-D-glucopyranoside (10). The latter was obtained in extraordinary high yield (22% of dry weight), and dunalianoside I (9) was found to be a conjugate of arbutin with an iridoid glucoside.

  17. 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)


    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.

  18. 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)


    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.

  19. Age-related decline in activation of calcium/calmodulin-dependent phosphatase calcineurin and kinase CaMK-IV in rat T cells. (United States)

    Pahlavani, M A; Vargas, D M


    We have previously shown that the DNA binding activity of the transcription factor NFAT which plays a predominant role in IL-2 transcription decreases with age. Because the transactivation (dephosphorylation and nuclear translocation) of the NFAT-c (cytoplasmic component of the NFAT complex) is mediated by the calcium/calmodulin-dependent phosphatase, calcineurin (CaN), and because Ca2+/calmodulin-dependent kinases (CaMK-II and IV/Gr) have been shown to play a critical role in calcium signaling in T cells, it was of interest to determine what effect aging has on the activation and the levels of these calcium regulating enzymes. The induction of calcineurin phosphatase activity, and CaMK-II and IV/Gr activities, were studied in splenic T cells isolated from Fischer 344 rats at 6, 15, and 24 months of age. In addition, the changes in the protein levels of these enzymes were measured by Western blot. The calcineurin phosphatase activity and CaMK-II and IV kinase activities were at a maximum after the cells were incubated with anti-CD3 antibody for 5-10 minutes. The induction of calcineurin activity by anti-CD3 and by calcium ionophore (A23187) declined 65 and 55%, respectively, between 6 and 24 months of age. The induction of CaMK-IV activity, but not CaMK-II activity by anti-CD3, was significantly less (by 54%) in T cells from old rats compared to T cells from young rats. The decline in the activation of these enzymes with age was not associated with changes in their corresponding protein levels. These results demonstrate that alterations in calcineurin phosphatase activity and CaMK-IV activity may contribute to the well-documented age-related decline in T cell function.

  20. Two case reports-Use of relative motion orthoses to manage extensor tendon zones III and IV and sagittal band injuries in adjacent fingers. (United States)

    Hirth, Melissa J; Howell, Julianne W; O'Brien, Lisa

    Case report. Injuries to adjacent fingers with differing extensor tendon (ET) zones and/or sagittal band pose a challenge to therapists as no treatment guidelines exist. This report highlights how the relative motion flexion/extension (RMF/RME) concepts were combined into one orthosis to manage a zone IV ET repair (RME) and a zone III central slip repair (RMF) in adjacent fingers (Case 1); and how a single RME orthosis was adapted to limit proximal interphalangeal joint motion to manage multi-level ET zone III-IV injuries and a sagittal band repair in adjacent fingers (case 2). Adapted relative motion orthoses allowed early active motion and graded exercises based on clinical reasoning and evidence. Outcomes were standard TAM% and Miller's criteria. 'Excellent' and 'good' outcomes were achieved by twelve weeks post surgery. Both cases returned to unrestricted work at 6 and 7 weeks. Neither reported functional deficits at discharge. Outcomes in 2 cases involving multiple digit injuries exceeded those previously reported for ET zone III-IV repairs. Relative motion orthoses can be adapted and applied to multi-finger injuries, eliminating the need for multiple, bulky or functionally-limiting orthoses. 4. Copyright © 2017 Hanley & Belfus. Published by Elsevier Inc. All rights reserved.

  1. Concordance between gambling disorder diagnoses in the DSM-IV and DSM-5: Results from the National Epidemiological Survey of Alcohol and Related Disorders. (United States)

    Petry, Nancy M; Blanco, Carlos; Jin, Chelsea; Grant, Bridget F


    The fifth edition of the Diagnostic and Statistic Manual for Mental Disorders (DSM-5) eliminates the committing illegal acts criterion and reduces the threshold for a diagnosis of gambling disorder to 4 of 9 criteria. This study compared the DSM-5 "4 of 9" classification system to the "5 of 10" DSM-IV system, as well as other permutations (i.e., just lowing the threshold to 4 criteria or just eliminating the illegal acts criterion) in 43,093 respondents to the National Epidemiological Survey of Alcohol and Related Conditions. Subgroups were analyzed to ascertain whether changes will impact differentially diagnoses based on gender, age, or race/ethnicity. In the full sample and each subpopulation, prevalence rates were higher when the DSM-5 classification system was employed relative to the DSM-IV system, but the hit rate between the two systems ranged from 99.80% to 99.96%. Across all gender, age, and racial/ethnic subgroups, specificity was greater than 99% when the DSM-5 system was employed relative to the DSM-IV system, and sensitivity was 100%. Results from this study suggest that eliminating the illegal acts criterion has little impact on diagnosis of gambling disorder, but lowering the threshold for diagnosis does increase the base rate in the general population and each subgroup, even though overall rates remain low and sensitivity and specificity are high.

  2. A comparison of the capacity of DSM-IV and DSM-5 acute stress disorder definitions to predict posttraumatic stress disorder and related disorders. (United States)

    Bryant, Richard A; Creamer, Mark; O'Donnell, Meaghan; Silove, Derrick; McFarlane, Alexander C; Forbes, David


    This study addresses the extent to which DSM-IV and DSM-5 definitions of acute stress disorder (ASD) predict subsequent posttraumatic stress disorder (PTSD) and related psychiatric disorders following trauma. Patients with randomized admissions to 5 hospitals across Australia (N = 596) were assessed in hospital and reassessed for PTSD at 3 (n = 508), 12 (n = 426), 24 (n = 439), and 72 (n = 314) months using the Clinician-Administered PTSD Scale; DSM-IV definition of PTSD was used at each assessment, and DSM-5 definition was used at 72 months. The Mini-International Neuropsychiatric Interview (MINI) was used at each assessment to assess anxiety, mood, and substance use disorders. Forty-five patients (8%) met DSM-IV criteria, and 80 patients (14%) met DSM-5 criteria for ASD. PTSD was diagnosed in 93 patients (9%) at 3, 82 patients (10%) at 12, 100 patients (12%) at 24, and 26 patients (8%) at 72 months; 19 patients (6%) met DSM-5 criteria for PTSD at 72 months. Comparable proportions of those diagnosed with ASD developed PTSD using DSM-IV (3 months = 46%, 12 months = 39%, 24 months = 32%, and 72 months = 25%) and DSM-5 (43%, 42%, 33%, and 24%) ASD definitions. Sensitivity was improved for DSM-5 relative to DSM-IV for depression (0.18 vs 0.30), panic disorder (0.19 vs 0.41), agoraphobia (0.14 vs 0.40), social phobia (0.12 vs 0.44), specific phobia (0.24 vs 0.58), obsessive-compulsive disorder (0.17 vs 0.47), and generalized anxiety disorder (0.20 vs 0.47). More than half of participants with DSM-5-defined ASD had a subsequent disorder. The DSM-5 criteria for ASD results in better identification of people who will subsequently develop PTSD or another psychiatric disorder relative to the DSM-IV criteria. Although prediction is modest, it suggests that the new ASD diagnosis can serve a useful function in acute trauma settings for triaging those who can benefit from either early intervention or subsequent monitoring. © Copyright 2015 Physicians Postgraduate Press, Inc.

  3. Quantitative structure-activity relationship of the curcumin-related compounds using various regression methods (United States)

    Khazaei, Ardeshir; Sarmasti, Negin; Seyf, Jaber Yousefi


    Quantitative structure activity relationship were used to study a series of curcumin-related compounds with inhibitory effect on prostate cancer PC-3 cells, pancreas cancer Panc-1 cells, and colon cancer HT-29 cells. Sphere exclusion method was used to split data set in two categories of train and test set. Multiple linear regression, principal component regression and partial least squares were used as the regression methods. In other hand, to investigate the effect of feature selection methods, stepwise, Genetic algorithm, and simulated annealing were used. In two cases (PC-3 cells and Panc-1 cells), the best models were generated by a combination of multiple linear regression and stepwise (PC-3 cells: r2 = 0.86, q2 = 0.82, pred_r2 = 0.93, and r2m (test) = 0.43, Panc-1 cells: r2 = 0.85, q2 = 0.80, pred_r2 = 0.71, and r2m (test) = 0.68). For the HT-29 cells, principal component regression with stepwise (r2 = 0.69, q2 = 0.62, pred_r2 = 0.54, and r2m (test) = 0.41) is the best method. The QSAR study reveals descriptors which have crucial role in the inhibitory property of curcumin-like compounds. 6ChainCount, T_C_C_1, and T_O_O_7 are the most important descriptors that have the greatest effect. With a specific end goal to design and optimization of novel efficient curcumin-related compounds it is useful to introduce heteroatoms such as nitrogen, oxygen, and sulfur atoms in the chemical structure (reduce the contribution of T_C_C_1 descriptor) and increase the contribution of 6ChainCount and T_O_O_7 descriptors. Models can be useful in the better design of some novel curcumin-related compounds that can be used in the treatment of prostate, pancreas, and colon cancers.

  4. Progesterone and Related Compounds in Hepatocellular Carcinoma: Basic and Clinical Aspects

    Directory of Open Access Journals (Sweden)

    Yao-Tsung Yeh


    Full Text Available Primary liver cancer is the fifth most common cancer worldwide and the third most common cause of cancer mortality. Hepatocellular carcinoma (HCC accounts for 85% to 90% of primary liver cancers. Major risk factors for HCC include infection with HBV or HCV, alcoholic liver disease, and most probably nonalcoholic fatty liver disease. In general, men are two to four times more often associated with HCC than women. It can be suggested that sex hormones including progesterone may play some roles in HCC. Rather, very limited information discusses its potential involvement in HCC. This paper thus collects some recent studies of the potential involvement of progesterone and related compounds in HCC from basic and clinical aspects. In addition, two synthetic progestins, megestrol acetate (MA and medroxyprogesterone acetate (MPA, will be discussed thoroughly. It is noted that progesterone can also serve as the precursor for androgens and estrogens produced by the gonadal and adrenal cortical tissues, while men have a higher incidence of HCC than women might be due to the stimulatory effects of androgen and the protective effects of estrogen. Eventually, this paper suggests a new insight on the associations of progesterone and related compounds with HCC development and treatment.

  5. Localization of salvinorin A and related compounds in glandular trichomes of the psychoactive sage, Salvia divinorum. (United States)

    Siebert, Daniel J


    Salvia divinorum produces several closely related neoclerodane diterpenes. The most abundant of these, salvinorin A, is responsible for the psychoactive properties of the plant. To determine where these compounds occur in the plant, various organs, tissues and glandular secretions were chemically analysed. A microscopic survey of the S. divinorum plant was performed to examine the various types of trichomes present and to determine their distribution. Chemical analyses were performed using thin layer chromatographic and histochemical techniques. Trichomes were examined using conventional light microscopy and scanning electron microscopy. It was found that neoclerodane diterpenes are secreted as components of a resin that accumulates in peltate glandular trichomes, specifically in the subcuticular space that exists between the trichome head cells and the cuticle that encloses them. Four main types of trichomes were observed: peltate glandular trichomes, short-stalked capitate glandular trichomes, long-stalked capitate glandular trichomes and non-glandular trichomes. Their morphology and distribution is described. Peltate glandular trichomes were only found on the abaxial surfaces of the leaves, stems, rachises, bracts, pedicles and calyces. This was consistent with chemical analyses, which showed the presence of neoclerodane diterpenes in these organs, but not in parts of the plant where peltate glandular trichomes are absent. Salvinorin A and related compounds are secreted as components of a complex resin that accumulates in the subcuticular space of peltate glandular trichomes.

  6. Breast cancer chemoprevention by dietary natural phenolic compounds: specific epigenetic related molecular targets. (United States)

    Pan, Min-Hsiung; Chiou, Yi-Siou; Chen, Li-Hua; Ho, Chi-Tang


    Breast cancer is a systemic malignant disease that is a major cause of cancer-related death among women worldwide. Recently, multiple lines of evidence from epidemiologic studies have suggested that epigenetic and genetic changes are involved in breast cancer development. In breast cancer patients, hormone receptor status, breast cancer stem-like cell population, and tumor microenvironment are reflective of breast cancer progression, drug resistance, and tumor recurrence. Strong relationships between a phytochemical-rich diet and a reversal of epigenetic alterations and/or modulated signaling pathways of carcinogenesis (initiation, promotion, and progression) suggest a potential approach for preventing breast cancer. Additionally, dietary consumption of natural phenolic compounds containing phytoestrogen properties exerts beneficial effects in breast cancer chemoprevention. In this review, we summarize the specific chemopreventive targets of representative phenolic compounds with an emphasis on their efficacy at interfering with epigenetic event related hormonal and nonhormonal signaling cascades that are responsible for multistage breast carcinogenesis. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. 75 FR 79320 - Animal Drugs, Feeds, and Related Products; Regulation of Carcinogenic Compounds in Food-Producing... (United States)


    ... HUMAN SERVICES Food and Drug Administration 21 CFR Part 500 Animal Drugs, Feeds, and Related Products; Regulation of Carcinogenic Compounds in Food-Producing Animals AGENCY: Food and Drug Administration, HHS... regulations regarding compounds of carcinogenic concern used in food-producing animals. Specifically, the...

  8. 77 FR 50591 - Animal Drugs, Feeds, and Related Products; Regulation of Carcinogenic Compounds in Food-Producing... (United States)


    ... HUMAN SERVICES Food and Drug Administration 21 CFR Part 500 Animal Drugs, Feeds, and Related Products; Regulation of Carcinogenic Compounds in Food-Producing Animals AGENCY: Food and Drug Administration, HHS... compounds of carcinogenic concern used in food- producing animals. Specifically, the Agency is clarifying...

  9. A versatile UHPLC–MSMS method for simultaneous quantification of various alcohol intake related compounds in human urine and blood

    DEFF Research Database (Denmark)

    Monosik, Rastislav; Dragsted, Lars Ove


    related compounds in biological samples may help to understand dietary exposure and metabolic kinetics. The aim of this study was to develop a simple, rapid and versatile UHPLC–MSMS method able of quantifying various alcohol derived compounds or potential effect markers. The method was thoroughly...

  10. The internal and external validity of sluggish cognitive tempo and its relation with DSM-IV ADHD (United States)

    Willcutt, Erik G.; Chhabildas, Nomita; Kinnear, Mikaela; DeFries, John C.; Olson, Richard K.; Leopold, Daniel R.; Keenan, Janice M.; Pennington, Bruce F.


    Studies of subtypes of DSM-IV attention-deficit/hyperactivity disorder (ADHD) have provided inconsistent support for the discriminant validity of the combined type (ADHD-C) and predominantly inattentive type (ADHD-I). A large sample of children and adolescents with ADHD (N = 410) and a comparison group without ADHD (N = 311) were used to test the internal and external validity of sluggish cognitive tempo (SCT), a dimension characterized by low energy and sleepy and sluggish behavior. SCT scores were then incorporated in analyses of ADHD subtypes to test whether the discriminant validity of ADHD-C and ADHD-Icould be improved by includingSCT symptoms as part of the criteria for ADHD-I. Factor analyses of parent and teacher ratings indicated that six SCT items loaded on a factor separate from symptoms of ADHD and other psychopathology, providing important support for the internal validity of SCT. The external validity of SCT was supported by significant associationsbetween SCT and measures of functional impairment and neuropsychological functioning when symptoms of ADHD and other psychopathology were controlled. However, contrary to initial predictions, high levels of SCT did not identify a subgroup of ADHD-I that was clearly distinct from ADHD-C. Instead, the current results suggest that DSM-IV inattention and SCT are separate but correlated symptom dimensions that are each independently associated with important aspects of functional impairment and neuropsychological functioning. PMID:24122408

  11. High-field EPR investigations of Mn(III)Mn(IV) and Mn(II)Mn(III) states of dimanganese catalase and related model systems. (United States)

    Teutloff, Christian; Schäfer, Kai-Oliver; Sinnecker, Sebastian; Barynin, Vladimir; Bittl, Robert; Wieghardt, Karl; Lendzian, Friedhelm; Lubitz, Wolfgang


    Multi-frequency EPR experiments at 9, 34 and 94 GHz are reported on the antiferromagnetically coupled mixed valence Mn(II)Mn(III) complex of manganese catalase and on several dinuclear manganese model systems. They are compared with similar experiments obtained earlier for the Mn(III)Mn(IV) states. It is demonstrated how accurate information on the G- and 55Mn hyperfine tensors can be derived from this approach. Furthermore, the effect of oxidation state, planarity of the manganese-oxygen core and the type of ligands bridging the manganese ions on the magnetic resonance parameters and the related electronic structure is investigated. 'Broken-symmetry' density functional calculations on two Mn(III)Mn(IV) complexes, including the superoxidized state of the catalase, are presented. The agreement between calculated and experimental EPR parameters and complex geometries is remarkably good. Implications of these results for the structure and function of the dimanganese catalase are discussed. Copyright 2005 John Wiley & Sons, Ltd

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

    Energy Technology Data Exchange (ETDEWEB)

    Flancbaum, L.; Brotman, D.N.; Fitzpatrick, J.C.; Van Es, Theodorus; Kasziba, E.; Fisher, H. (Rutgers Univ., New Brunswick, NJ (USA))


    Carcinine ({beta}-alanylhistamine) was synthesized in vitro from histamine and {beta}-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.

  13. Diurnal and seasonal variability of gasoline-related volatile organic compound emissions in Riverside, California. (United States)

    Gentner, Drew R; Harley, Robert A; Miller, Angela M; Goldstein, Allen H


    On- and off-road mobile sources are the dominant contributors to urban anthropogenic volatile organic compound (AVOC) emissions. Analyses of gasoline samples from California for both summer and winter indicate significant differences in liquid fuel and vapor chemical composition due to intentional seasonal adjustments. Ambient concentrations of 55 VOCs were measured via in situ gas chromatography in the 2005 Study of Organic Aerosols at Riverside (SOAR) during both summer and fall. A chemical mass balance analysis was used to differentiate vapor pressure-driven VOC emissions from other motor vehicle-related emissions such as tailpipe exhaust. Overall, fuel vapor emissions accounted for 31 +/- 2% of gasoline-related VOC in Riverside; California's emission factor model similarly estimates 31% of gasoline-related VOC emissions are fuel vapor. The diurnal pattern of vapor pressure-driven VOC source contributions is relatively stable around 10 microg/m3, while whole gasoline (i.e., tailpipe) contributions peak at approximately 60 microg/m3 during the morning commute. There is no peak in whole gasoline source contributions during the afternoon, due to rapid dilution associated with high mixing heights and wind speeds in the Riverside area. The relationship between estimated gasoline-related VOC and observed carbon monoxide concentrations in this study is similar to California's 2005 emission inventory; we calculated a VOC to CO mass ratio of 0.086 +/- 0.006 (95% CI) compared to 0.097 in the emission inventory for all gasoline-related sources.

  14. Wine phenolic compounds influence the production of volatile phenols by wine-related lactic acid bacteria. (United States)

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


    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.

  15. Synthesis, Cytotoxic and Antimalarial Activities of Benzoyl Thiosemicarbazone Analogs of Isoquinoline and Related Compounds

    Directory of Open Access Journals (Sweden)

    Somsak Ruchirawat


    Full Text Available Thiosemicarbazone analogs of papaveraldine and related compounds 1–6 were synthesized and evaluated for cytotoxic and antimalarial activities. The cytotoxic activity was tested against HuCCA-1, HepG2, A549 and MOLT-3 human cancer cell lines. Thiosemicarbazones 1–5 displayed cytotoxicity toward all the tested cell lines, while compounds 2–5 selectively showed potent activity against the MOLT-3 cell lines. Significantly, N(4-phenyl-2-benzoylpyridine thiosemicarbazone 4 exhibited the most potent activity against HuCCA-1, HepG2, A549 and MOLT-3 cell lines with IC50 values of 0.03, 4.75, 0.04 and 0.004 µg/mL, respectively. In addition, 2-benzoylpyridine thio-semicarbazones 3 and 4 showed antimalarial activity against Plasmodium falciparum with IC50 of 10-7 to < 10-6 M. The study demonstrates the quite promising activity of analog 4 as a lead molecule for further development.

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

    Energy Technology Data Exchange (ETDEWEB)

    Kubota, Mari. E-mail:; Kobayashi, Tsunetoshi


    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.

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

    CERN Document Server

    Kubota, M


    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...

  18. 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.


    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

  19. Tetratopic phenyl compounds, related metal-organic framework materials and post-assembly elaboration (United States)

    Farha, Omar K.; Hupp, Joseph T.


    Disclosed are tetratopic carboxylic acid phenyl for use in metal-organic framework compounds. These compounds are useful in catalysis, gas storage, sensing, biological imaging, drug delivery and gas adsorption separation.

  20. Tyrphostin AG-related compounds attenuate H2O2-induced TRPM2-dependent and -independent cellular responses. (United States)

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


    TRPM2 is a Ca2+-permeable channel that is activated by H2O2. TRPM2-mediated Ca2+ 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 H2O2-induced activation of TRPM2 by scavenging the intracellular hydroxyl radical. In the present study, we examined the effects of AG-related compounds on H2O2-induced cellular responses in human monocytic U937 cells, which functionally express TRPM2. The effects of AG-related compounds on H2O2-induced changes in intracellular Ca2+ concentrations, extracellular signal-regulated kinase (ERK) activation, and CXCL8 secretion were assessed using U937 cells. Ca2+ influxes via TRPM2 in response to H2O2 were blocked by AG-related compounds. AG-related compounds also inhibited the H2O2-induced activation of ERK, and subsequent secretion of CXCL8 mediated by TRPM2-dependent and -independent mechanisms. Our results show that AG-related compounds inhibit H2O2-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 H2O2-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.

  1. Determination of Bisphenols and Related Compounds in Honey and Their Migration from Selected Food Contact Materials. (United States)

    Česen, Marjeta; Lambropoulou, Dimitra; Laimou-Geraniou, Maria; Kosjek, Tina; Blaznik, Urška; Heath, David; Heath, Ester


    This study reports the analysis of nine bisphenols (BPA, BPAF, BPAP, BPB, BPC, BPE, BPF, BPS, and BPZ) and related compounds (4-cumylphenol and dihydroxybenzophenone) in honey and food simulant. After sample preconcentration with Oasis HLB cartridges, analytes were silylated and analyzed by GC-MS. The validated methods with LODs in sub ng g(-1) were applied to 36 honey samples from European and non-European countries and food simulant stored in selected corresponding containers. Honey samples contained BPA, BPAF, BPE, BPF, BPS, and BPZ in amounts up to 107, 53.5, 12.8, 31.6, 302, and 28.4 ng g(-1), respectively. Under simulating conditions, BPA and BPAF were detected in food simulant up to 42.2 and 19.8 ng mL(-1), respectively. In certain cases, the detected bisphenols in honey probably derive from a source other than the final packaging.

  2. Perspectives on zebrafish models of hallucinogenic drugs and related psychotropic compounds. (United States)

    Neelkantan, Nikhil; Mikhaylova, Alina; Stewart, Adam Michael; Arnold, Raymond; Gjeloshi, Visar; Kondaveeti, Divya; Poudel, Manoj K; Kalueff, Allan V


    Among different classes of psychotropic drugs, hallucinogenic agents exert one of the most prominent effects on human and animal behaviors, markedly altering sensory, motor, affective, and cognitive responses. The growing clinical and preclinical interest in psychedelic, dissociative, and deliriant hallucinogens necessitates novel translational, sensitive, and high-throughput in vivo models and screens. Primate and rodent models have been traditionally used to study cellular mechanisms and neural circuits of hallucinogenic drugs' action. The utility of zebrafish ( Danio rerio ) in neuroscience research is rapidly growing due to their high physiological and genetic homology to humans, ease of genetic manipulation, robust behaviors, and cost effectiveness. Possessing a fully characterized genome, both adult and larval zebrafish are currently widely used for in vivo screening of various psychotropic compounds, including hallucinogens and related drugs. Recognizing the growing importance of hallucinogens in biological psychiatry, here we discuss hallucinogenic-induced phenotypes in zebrafish and evaluate their potential as efficient preclinical models of drug-induced states in humans.

  3. Exploring the structural requirements for jasmonates and related compounds as novel plant growth regulators (United States)

    Chen, Ke-Xian


    Jasmonates and related compounds have been highlighted recently in the field of plant physiology and plant molecular biology due to their significant regulatory roles in the signaling pathway for the diverse aspects of plant development and survival. Though a considerable amount of studies concerning their biological effects in different plants have been widely reported, the molecular details of the signaling mechanism are still poorly understood. This review sheds new light on the structural requirements for the bioactivity/property of jasmonic acid derivatives in current computational perspective, which differs from previous research that mainly focus on their biological evaluation, gene and metabolic regulation and the enzymes in their biosynthesis. The computational results may contribute to further understanding the mechanism of drug-receptor interactions in their signaling pathway and designing novel plant growth regulators as high effective ecological pesticides. PMID:20009552

  4. Inhibitory effects of cardols and related compounds on superoxide anion generation by xanthine oxidase. (United States)

    Masuoka, Noriyoshi; Nihei, Ken-ichi; Maeta, Ayami; Yamagiwa, Yoshiro; Kubo, Isao


    5-Pentadecatrienylresorcinol, isolated from cashew nuts and commonly known as cardol (C₁₅:₃), prevented the generation of superoxide radicals catalysed by xanthine oxidase without the inhibition of uric acid formation. The inhibition kinetics did not follow the Michelis-Menten equation, but instead followed the Hill equation. Cardol (C₁₀:₀) also inhibited superoxide anion generation, but resorcinol and cardol (C₅:₀) did not inhibit superoxide anion generation. The related compounds 3,5-dihydroxyphenyl alkanoates and alkyl 2,4-dihydroxybenzoates, had more than a C9 chain, cooperatively inhibited but alkyl 3,5-dihydroxybenzoates, regardless of their alkyl chain length, did not inhibit the superoxide anion generation. These results suggested that specific inhibitors for superoxide anion generation catalysed by xanthine oxidase consisted of an electron-rich resorcinol group and an alkyl chain having longer than C9 chain. Copyright © 2014 Elsevier Ltd. All rights reserved.

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

    Directory of Open Access Journals (Sweden)

    Meuwissen Theo HE


    Full Text Available Abstract 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 a particular challenge when selecting against high levels of androstenone in the breeding programme, without simultaneously decreasing levels of other steroids. Detection of single nucleotide polymorphisms (SNPs associated with compounds affecting boar taint is important both for gaining a better understanding of the complex regulation of the trait and for the purpose of identifying markers that can be used to improve the gain of breeding. The beneficial SNPs to be used in breeding would have the combinational effects of reducing levels of boar taint without affecting fertility of the animals. The aim 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 17β-estradiol in plasma, and length of bulbo urethralis gland. The SNPs were genotyped in more than 2800 individuals and several SNPs were found to be significantly (LRT > 5.4 associated with the different phenotypes. Genes with significant SNPs in either of the traits investigated include cytochrome P450 members CYP2E1, CYP21, CYP2D6 and CYP2C49, steroid 5α-reductase SRD5A2, nuclear receptor NGFIB, catenin CTNND1, BRCA1 associated protein BAP1 and hyaluronoglucosaminidase HYAL2. Haplotype analysis provided additional evidence for an

  6. Site-specific acid-base properties of pholcodine and related compounds. (United States)

    Kovács, Z; Hosztafi, S; Noszál, B


    The acid-base properties of pholcodine, a cough-depressant agent, and related compounds including metabolites were studied by 1H NMR-pH titrations, and are characterised in terms of macroscopic and microscopic protonation constants. New N-methylated derivatives were also synthesized in order to quantitate site- and nucleus-specific protonation shifts and to unravel microscopic acid-base equilibria. The piperidine nitrogen was found to be 38 and 400 times more basic than its morpholine counterpart in pholcodine and norpholcodine, respectively. The protonation data show that the molecule of pholcodine bears an average of positive charge of 1.07 at physiological pH, preventing it from entering the central nervous system, a plausible reason for its lack of analgesic or addictive properties. The protonation constants of pholcodine and its derivatives are interpreted by comparing with related molecules of pharmaceutical interest. The pH-dependent relative concentrations of the variously protonated forms of pholcodine and morphine are depicted in distribution diagrams.

  7. DSM-IV personality disorders and associations with externalizing and internalizing disorders: results from the National Epidemiologic Survey on Alcohol and Related Conditions. (United States)

    Harford, Thomas C; Chen, Chiung M; Saha, Tulshi D; Smith, Sharon M; Ruan, W June; Grant, Bridget F


    Although associations between personality disorders and psychiatric disorders are well established in general population studies, their association with liability dimensions for externalizing and internalizing disorders has not been fully assessed. The purpose of this study is to examine associations between personality disorders (PDs) and lifetime externalizing and internalizing Axis I disorders. Data were obtained from the total sample of 34,653 respondents from Wave 2 of the National Epidemiologic Survey on Alcohol and Related Conditions (NESARC). Drawing on the literature, a 3-factor exploratory structural equation model was selected to simultaneously assess the measurement relations among DSM-IV Axis I substance use and mood and anxiety disorders and the structural relations between the latent internalizing-externalizing dimensions and DSM-IV PDs, adjusting for gender, age, race/ethnicity, and marital status. Antisocial, histrionic, and borderline PDs were strong predictors for the externalizing factor, while schizotypal, borderline, avoidant, and obsessive-compulsive PDs had significantly larger effects on the internalizing fear factor when compared to the internalizing misery factor. Paranoid, schizoid, narcissistic, and dependent PDs provided limited discrimination between and among the three factors. An overarching latent factor representing general personality dysfunction was significantly greater on the internalizing fear factor followed by the externalizing factor, and weakest for the internalizing misery factor. Personality disorders offer important opportunities for studies on the externalizing-internalizing spectrum of common psychiatric disorders. Future studies based on panic, anxiety, and depressive symptoms may elucidate PD associations with the internalizing spectrum of disorders. Published by Elsevier Ltd.

  8. Spin and orbital orderings behind multiferroicity in delafossite and related compounds (United States)

    Terada, Noriki


    Coupling between noncollinear magnetic ordering and ferroelectricicty in magnetoelectric multiferroics has been extensively studied in the last decade. Delafossite family compounds with triangular lattice structure provide a great opportunity to study the coupling between spin and electric dipole in multiferroics due to the variety of magnetic phases with different symmetry. This review introduces the magnetic and ferroelectric phase transitions in delafossite ferrites, CuFe1-xXxO2 (X = Al, Ga), AgFeO2 and the related compound α-NaFeO2. In CuFeO2, the ferroelectric phase appears under a magnetic field or chemical substitution. The proper screw magnetic ordering with the magnetic point group 21‧, which has been determined by detailed analysis in neutron diffraction experiments, induces the ferroelectric polarization along the monoclinic b axis in CuFeO2. The cycloidal magnetic orderings are realized in AgFeO2 and α-NaFeO2, which are of the point group m1‧ allowing polarization in the ac plane. The emergence of ferroelectric polarization can be explained by both the extended inverse Dzyaloshinsky-Moriya effect and the d - p hybridization mechanism. These mechanisms are supported by experimental evidence in CuFe1-xGaxO2. The polarized neutron diffraction experiment demonstrated one-to-one correspondence between ferroelectric polarization and spin helicity, Si × Sj . The incommensurate orbital ordering with 2{Q} wave vector, observed by the soft x-ray resonant diffraction experiment, proved that the spin-orbit interaction ties spin and orbital orders to each other, playing a crucial role for the emergence of ferroelectricity in CuFe1-xGaxO2.

  9. Spin and orbital orderings behind multiferroicity in delafossite and related compounds. (United States)

    Terada, Noriki


    Coupling between noncollinear magnetic ordering and ferroelectricicty in magnetoelectric multiferroics has been extensively studied in the last decade. Delafossite family compounds with triangular lattice structure provide a great opportunity to study the coupling between spin and electric dipole in multiferroics due to the variety of magnetic phases with different symmetry. This review introduces the magnetic and ferroelectric phase transitions in delafossite ferrites, CuFe(1-x)X(x)O(2) (X = Al, Ga), AgFeO(2) and the related compound α-NaFeO(2). In CuFeO(2), the ferroelectric phase appears under a magnetic field or chemical substitution. The proper screw magnetic ordering with the magnetic point group 21', which has been determined by detailed analysis in neutron diffraction experiments, induces the ferroelectric polarization along the monoclinic b axis in CuFeO2. The cycloidal magnetic orderings are realized in AgFeO(2) and α-NaFeO(2), which are of the point group m1' allowing polarization in the ac plane. The emergence of ferroelectric polarization can be explained by both the extended inverse Dzyaloshinsky-Moriya effect and the d − p hybridization mechanism. These mechanisms are supported by experimental evidence in CuFe(1-x)Ga(x)O2. The polarized neutron diffraction experiment demonstrated one-to-one correspondence between ferroelectric polarization and spin helicity, S(i) × S(j). The incommensurate orbital ordering with 2 Q wave vector, observed by the soft x-ray resonant diffraction experiment, proved that the spin-orbit interaction ties spin and orbital orders to each other, playing a crucial role for the emergence of ferroelectricity in CuFe(1-x)Ga(x)O2.

  10. Review of the inhibition of biological activities of food-related selected toxins by natural compounds. (United States)

    Friedman, Mendel; Rasooly, Reuven


    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.

  11. The MUSCLES Treasury Survey. IV. Scaling Relations for Ultraviolet, Ca ii K, and Energetic Particle Fluxes from M Dwarfs

    Energy Technology Data Exchange (ETDEWEB)

    Youngblood, Allison; France, Kevin; Loyd, R. O. Parke; Mason, James P. [Laboratory for Atmospheric and Space Physics, University of Colorado, 600 UCB, Boulder, CO 80309 (United States); Brown, Alexander [Center for Astrophysics and Space Astronomy, University of Colorado, 389 UCB, Boulder, CO 80309 (United States); Schneider, P. Christian [European Space Research and Technology Centre (ESA/ESTEC), Keplerlaan 1, 2201 AZ Noordwijk (Netherlands); Tilley, Matt A. [Department of Earth and Space Sciences, University of Washington, Box 351310, Seattle, WA 98195 (United States); Berta-Thompson, Zachory K.; Kowalski, Adam [Department of Astrophysical and Planetary Sciences, University of Colorado, 2000 Colorado Ave., Boulder, CO 80305 (United States); Buccino, Andrea; Mauas, Pablo J. D. [Dpto. de Física, Facultad de Ciencias Exactas y Naturales (FCEN), Universidad de Buenos Aires (UBA), Buenos Aires (Argentina); Froning, Cynthia S. [Department of Astronomy/McDonald Observatory, C1400, University of Texas at Austin, Austin, TX 78712 (United States); Hawley, Suzanne L. [Astronomy Department, Box 351580, University of Washington, Seattle, WA 98195 (United States); Linsky, Jeffrey [JILA, University of Colorado and NIST, 440 UCB, Boulder, CO 80309 (United States); Redfield, Seth [Astronomy Department and Van Vleck Observatory, Wesleyan University, Middletown, CT 06459 (United States); Miguel, Yamila [Observatoire de la Cote d’Azur, Boulevard de l’Observatoire, CS 34229 F-06304 NICE Cedex 4 (France); Newton, Elisabeth R. [Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, MA 02138 (United States); Rugheimer, Sarah, E-mail: [School of Earth and Environmental Sciences, University of St. Andrews, Irvine Building, North Street, St. Andrews, KY16 9AL (United Kingdom); and others


    Characterizing the UV spectral energy distribution (SED) of an exoplanet host star is critically important for assessing its planet’s potential habitability, particularly for M dwarfs, as they are prime targets for current and near-term exoplanet characterization efforts and atmospheric models predict that their UV radiation can produce photochemistry on habitable zone planets different from that on Earth. To derive ground-based proxies for UV emission for use when Hubble Space Telescope ( HST ) observations are unavailable, we have assembled a sample of 15 early to mid-M dwarfs observed by HST and compared their nonsimultaneous UV and optical spectra. We find that the equivalent width of the chromospheric Ca ii K line at 3933 Å, when corrected for spectral type, can be used to estimate the stellar surface flux in ultraviolet emission lines, including H i Ly α . In addition, we address another potential driver of habitability: energetic particle fluxes associated with flares. We present a new technique for estimating soft X-ray and >10 MeV proton flux during far-UV emission line flares (Si iv and He ii) by assuming solar-like energy partitions. We analyze several flares from the M4 dwarf GJ 876 observed with HST and Chandra as part of the MUSCLES Treasury Survey and find that habitable zone planets orbiting GJ 876 are impacted by large Carrington-like flares with peak soft X-ray fluxes ≥10{sup −3} W m{sup −2} and possible proton fluxes ∼10{sup 2}–10{sup 3} pfu, approximately four orders of magnitude more frequently than modern-day Earth.

  12. The MUSCLES Treasury Survey. IV. Scaling Relations for Ultraviolet, Ca II K, and Energetic Particle Fluxes from M Dwarfs (United States)

    Youngblood, Allison; France, Kevin; Parke Loyd, R. O.; Brown, Alexander; Mason, James P.; Schneider, P. Christian; Tilley, Matt A.; Berta-Thompson, Zachory K.; Buccino, Andrea; Froning, Cynthia S.; Hawley, Suzanne L.; Linsky, Jeffrey; Mauas, Pablo J. D.; Redfield, Seth; Kowalski, Adam; Miguel, Yamila; Newton, Elisabeth R.; Rugheimer, Sarah; Segura, Antígona; Roberge, Aki; Vieytes, Mariela


    Characterizing the UV spectral energy distribution (SED) of an exoplanet host star is critically important for assessing its planet’s potential habitability, particularly for M dwarfs, as they are prime targets for current and near-term exoplanet characterization efforts and atmospheric models predict that their UV radiation can produce photochemistry on habitable zone planets different from that on Earth. To derive ground-based proxies for UV emission for use when Hubble Space Telescope (HST) observations are unavailable, we have assembled a sample of 15 early to mid-M dwarfs observed by HST and compared their nonsimultaneous UV and optical spectra. We find that the equivalent width of the chromospheric Ca II K line at 3933 Å, when corrected for spectral type, can be used to estimate the stellar surface flux in ultraviolet emission lines, including H I Lyα. In addition, we address another potential driver of habitability: energetic particle fluxes associated with flares. We present a new technique for estimating soft X-ray and >10 MeV proton flux during far-UV emission line flares (Si IV and He II) by assuming solar-like energy partitions. We analyze several flares from the M4 dwarf GJ 876 observed with HST and Chandra as part of the MUSCLES Treasury Survey and find that habitable zone planets orbiting GJ 876 are impacted by large Carrington-like flares with peak soft X-ray fluxes ≥10-3 W m-2 and possible proton fluxes ˜102-103 pfu, approximately four orders of magnitude more frequently than modern-day Earth.

  13. A fresnoite-structure-related mixed valent titanium(III/IV) chlorosilicate, Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl: A flux crystal growth route to Ti(III) containing oxides

    Energy Technology Data Exchange (ETDEWEB)

    Abeysinghe, Dileka; Smith, Mark D.; Loye, Hans-Conrad zur, E-mail:


    Single crystals of mixed valent barium titanium(III/IV) chlorosilicate, Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09}, were grown in a high temperature molten chloride flux involving an in situ reduction step. The fresnoite structure related Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09} crystallizes in the tetragonal space group P4/mbm with lattice parameters of a=8.6717(2) Å, c=18.6492(5) Å. The title compound exhibits a 3D structure consisting of 2D layers of fused Ti{sub 2}O{sub 9} and Si{sub 4}O{sub 12} groups and 2D layers of fused Ti{sub 2}O{sub 9}Cl{sub 2} and Si{sub 2}O{sub 7} groups that are linked via barium atoms. The in situ reduction of Ti(IV) to Ti(III) is achieved via the addition of metallic Mg to the flux to function as the reducing agent. The temperature dependence of the magnetic susceptibility shows simple paramagnetism above 100 K. There is a discontinuity in the susceptibility data below 100 K, which might be due to a structural change that takes place resulting in charge ordering. - Graphical abstract: The fresnoite structure related novel reduced barium titanium chlorosilicate, Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09}, were synthesized via flux method. An in situ reduction of Ti(IV) to Ti(III) achieved using Mg metal. The 3D structure consists 2D layers of fused Ti{sub 2}O{sub 9} and Si{sub 4}O{sub 12} and 2D layers of fused Ti{sub 2}O{sub 9}Cl{sub 2} and Si{sub 2}O{sub 7} connected via barium atoms. Compound shows simple paramagnetism above 100 K. - Highlights: • The fresnoite related Ba{sub 3}Ti{sub 2}Si{sub 4}O{sub 14}Cl{sub 0.91}O{sub 0.09} were grown via molten flux method. • The in situ reduction of Ti(IV) to Ti(III) is achieved using metallic Mg. • 2D layers of Ti{sub 2}O{sub 9} and Si{sub 4}O{sub 12} and Ti{sub 2}O{sub 9}Cl{sub 2} and Si{sub 2}O{sub 7} connect via Ba atoms. • The magnetic susceptibility shows simple paramagnetism above 100 K.

  14. Temperature dependence on addition of urea and its related compounds on formation of neodymium condensed phosphates

    Energy Technology Data Exchange (ETDEWEB)

    Onoda, Hiroaki [Department of Applied Chemistry, Faculty of Science and Engineering, Ritsumeikan University, 1-1-1, Nojihigashi, Kusatsu, Shiga 525-8577 (Japan)]. E-mail:; Takenaka, Atsushi [Department of Materials Science, Yonago National College of Technology, 4448, Hikona-cho, Yonago, Tottori 683-8502 (Japan); Kojima, Kazuo [Department of Applied Chemistry, Faculty of Science and Engineering, Ritsumeikan University, 1-1-1, Nojihigashi, Kusatsu, Shiga 525-8577 (Japan); Nariai, Hiroyuki [Department of Molecular Science, Graduate School of Science and Technology, Kobe University, 1-1, Rokkodai-cho, Nada-ku, Kobe 657-8501 (Japan)


    Urea (CO(NH{sub 2}){sub 2}) and its related compounds (biuret: NH(CONH{sub 2}){sub 2} and cyanuric acid: (CONH){sub 3}) were mixed with phosphoric acid (H{sub 3}PO{sub 4}) and neodymium oxide (Nd{sub 2}O{sub 3}). The thermal behavior of these dried mixtures was estimated by differential thermal analyses, X-ray diffraction, and Fourier-transform infrared spectroscopy. Furthermore, specific surface area of phosphates was calculated by BET method using nitrogen adsorption. The addition of urea prevented the crystal growth of Monazite-type NdPO{sub 4} in samples at P/Nd = 2 heated at 450 and 550 deg C, and promoted the dehydration-condensation reaction of phosphate. Urea was considered to be decomposed at 400-450 deg C in these systems. The decomposition of urea was considered to be related to the formation of neodymium dihydrogenphosphate and then this phosphate transformed to neodymium polyphosphate. The ratio of urea and phosphorus had influence on the promotion of the dehydration-condensation reaction. Thermal behavior of sample added with biuret or cyanuric acid was also investigated.

  15. Germination response in wheat grains to dihydroactinidiolide, a germination inhibitor in wheat husks, and related compounds. (United States)

    Kato, Tadahiro; Imai, Takahito; Kashimura, Kaori; Saito, Naoko; Masaya, Kengo


    On the basis of our recent findings that the germination of intact wheat grains with glumes (husks) belonging to dormant varieties was restrained as compared with that of dehusked grains, we have explored the identities of germination inhibitors in the glumes, resulting in the characterization of dihydroactinidiolide (1) and some aromatic compounds. A related natural product, tetrahydroactinidiolide (2), showed similar activity. The present study has demonstrated that the sensitivity in inhibition response of germination of the grains to 1 and 2 declined during after-ripening, in parallel with changes in germinability; the sprouting of after-ripened seeds on a whole spike was preventable by exogenous application of 2 in laboratory conditions, and germination of after-ripened grains was delayed by more than two weeks by the action of 1 or 2. The term "pseudodormancy" is proposed for the phenomenon of delay of germination caused by the inhibitor. After accumulation of additional evidence on inhibition response of actinidiolide-type natural products, structurally related to inhibitor 1, a mechanism concerning germination inhibition by 1 or 2 is proposed on the basis of the concept of nonbonding interaction with the inhibitors at an active site of an acceptor.

  16. Cracking the Betel Nut: Cholinergic Activity of Areca Alkaloids and Related Compounds. (United States)

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


    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. The origin of phonon anharmonicity in MgB{sub 2} and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Boeri, L [INFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Universita di Roma ' La Sapienza' , Piazzale A. Moro 2, 00185 Rome (Italy); Bachelet, G B [INFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Universita di Roma ' La Sapienza' , Piazzale A. Moro 2, 00185 Rome (Italy); Cappelluti, E [INFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Universita di Roma ' La Sapienza' , Piazzale A. Moro 2, 00185 Rome (Italy); Pietronero, L [INFM Center for Statistical Mechanics and Complexity and Dipartimento di Fisica, Universita di Roma ' La Sapienza' , Piazzale A. Moro 2, 00185 Rome (Italy)


    The recent discovery of a superconducting transition at 39 K in MgB{sub 2} - made of alternating Mg and graphene-like B planes - has raised great interest, for both its technological and theoretical implications. It was clear since the very beginning that the properties of this material are related to an anomalous coupling between the charge carriers in the {sigma} bands - due to in-plane bonds between Boron atoms - and the phonon mode (E{sub 2g}) which involves in-plane vibrations of the B ions. Theoretical studies have thus been focused on the search for possible anomalies in the e-ph coupling: one of the first results was the discovery that the E{sub 2g} phonon is highly anharmonic, but the connection between anharmonicity and T{sub c} in this material is still a controversial point. We first present a detailed first-principles study of the E{sub 2g} phonon anharmonicity in MgB{sub 2} and analogous compounds which are not superconducting, AlB{sub 2} and graphite, and in a hypothetical hole-doped graphite (C{sup 2+}{sub 2}); we then introduce an analytical model which allows us to relate the onset of anharmonicity with the small Fermi energy of the carriers in {sigma} bands. Our study suggests a possible relation between anharmonicity and non-adiabaticity; non-adiabatic effects, which can lead to a sensible increase of T{sub c} with respect to values predicted by conventional theory, become in fact relevant when phonon frequencies are comparable to electronic energy scales.

  18. Azo dyes and related compounds as important aquatic contaminants: a ten-year case study (United States)

    Mutagenicity has been found in several aquatic systems in the world; however, this activity usually is not associated with any of the compounds that are currently regulated. Attempting to identify these hazardous compounds, an integrated study was conducted, employing several dif...

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

    Directory of Open Access Journals (Sweden)

    Krystian Miazek


    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.

  20. Role of histidine-related compounds to intracellular buffering in fish skeletal muscle. (United States)

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


    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.

  1. Structure-activity relations in binding of perfluoroalkyl compounds to human thyroid hormone T3 receptor. (United States)

    Ren, Xiao-Min; Zhang, Yin-Feng; Guo, Liang-Hong; Qin, Zhan-Fen; Lv, Qi-Yan; Zhang, Lian-Ying


    Perfluoroalkyl compounds (PFCs) have been shown to disrupt thyroid functions through thyroid hormone receptor (TR)-mediated pathways, but direct binding of PFCs with TR has not been demonstrated. We investigated the binding interactions of 16 structurally diverse PFCs with human TR, their activities on TR in cells, and the activity of perfluorooctane sulfonate (PFOS) in vivo. In fluorescence competitive binding assays, most of the 16 PFCs were found to bind to TR with relative binding potency in the range of 0.0003-0.05 compared with triiodothyronine (T3). A structure-binding relationship for PFCs was observed, where fluorinated alkyl chain length longer than ten, and an acid end group were optimal for TR binding. In thyroid hormone (TH)-responsive cell proliferation assays, PFOS, perfluorohexadecanoic acid, and perfluorooctadecanoic acid exhibited agonistic activity by promoting cell growth. Furthermore, similar to T3, PFOS exposure promoted expression of three TH upregulated genes and inhibited three TH downregulated genes in amphibians. Molecular docking analysis revealed that most of the tested PFCs efficiently fit into the T3-binding pocket in TR and formed a hydrogen bond with arginine 228 in a manner similar to T3. The combined in vitro, in vivo, and computational data strongly suggest that some PFCs disrupt the normal activity of TR pathways by directly binding to TR.

  2. Kinetics of the radical scavenging activity of beta-carotene-related compounds. (United States)

    Fujisawa, S; Ishihara, M; Kadoma, Y


    To clarify the non-enzymatic radical-scavenging activity of beta-carotene-related compounds and other polyenes, we used differential scanning calorimetry to study the kinetics of radical polymerization of methyl methacrylate (MMA) by 2,2'-azobisisobutyronitrile (AIBN) or benzoyl peroxide (BPO) in the absence or presence of polyenes under nearly anaerobic conditions at 70 degrees C, and analyzed the results with an SAR approach. The polyenes studied were all-trans retinol, retinol palmitate, calciferol, beta-carotene and lycopene. Polyenes produced a small induction period. The stoichiometric factor (n) (i.e. the number of radicals trapped by each inhibitor molecule) of polyenes was close to 0. Tetraterpenes (beta-carotene, lycopene) suppressed significantly more of the initial rate of polymerization (R(inh)) than did diterpenes (retinol, retinol palmitate). The inhibition rate constants (k(inh)) for the reaction of beta-carotene with AIBN- or BPO-derived radicals were determined to be 1.2-1.6x10(5) l/mol s, similar to published values. A linear relationship between (k(inh)) and the kinetic chain length (KCL) for polyenes was observed; as (k(inh)) increased, KCL decreased. KCL also decreased significantly as the number of conjugated double bonds in the polyenes increased. Polyenes, particularly beta-carotene and lycopene, acted as interceptors of growing poly-MMA radicals.

  3. Analysis of environmental issues related to small-scale hydroelectric development IV: fish mortality resulting from turbine passage

    Energy Technology Data Exchange (ETDEWEB)

    Turbak, S. C.; Reichle, D. R.; Shriner, C. R.


    This document presents a state-of-the-art review of literature concerning turbine-related fish mortality. The review discusses conventional and, to a lesser degree, pumped-storage (reversible) hydroelectric facilities. Much of the research on conventional facilities discussed in this report deals with studies performed in the Pacific Northwest and covers both prototype and model studies. Research conducted on Kaplan and Francis turbines during the 1950s and 1960s has been extensively reviewed and is discussed. Very little work on turbine-related fish mortality has been undertaken with newer turbine designs developed for more modern small-scale hydropower facilities; however, one study on a bulb unit (Kaplan runner) has recently been released. In discussing turbine-related fish mortality at pumped-storage facilities, much of the literature relates to the Ludington Pumped Storage Power Plant. As such, it is used as the principal facility in discussing research concerning pumped storage.

  4. Meal related effects of IV glucose, glucagon and insulin on blood glucose level: role in glucoregulation exhibited by self-injecting rats. (United States)

    Jouhaneau, J; Le Magnen, J


    In previous works, it was demonstrated that rats self-injected with (IV) glucose, insulin and/or glucagon and that the self-administration pattern was related to the meal. It was suggested that the different preprandial or postprandial blood glucose level (B.G.L) determined the meal and were dependent on it. Previously self-injected amounts of glucose, glucagon and insulin were here injected by an automatic device and their effect on B.G.L. were compared in the post and preprandial conditions. Results indicated that the effects of insulin, glucagon and glucose on B.G.L., which were different during the postprandial hyperglycemia compared to the preprandial normoglycemia, accounted for the different self-injection patterns. Furthermore successive injection of glucose and insulin or glucagon and insulin suggest that rats, by pressing alternatively two levers performed a regulatory correction of variations of their B.G.L. It is concluded that rats may learn to perform a behavioral regulation of their B.G.L. by IV self-injections of glucose and glucoregulatory hormones.

  5. Selected Legal Challenges Relating to the Military use of Outer Space, with Specific Reference to Article IV of the Outer Space Treaty

    Directory of Open Access Journals (Sweden)

    Anél Ferreira-Snyman


    Full Text Available Since the end of the Second World War the potential use of outer space for military purposes persisted to be intrinsically linked to the development of space technology and space flight. The launch of the first artificial satellite, Sputnik 1, by the USSR in 1957 made Western states realise that a surprise attack from space was a real possibility, resulting in the so-called "space-race" between the USA and the USSR. During the Cold War space activities were intrinsically linked to the political objectives, priorities and national security concerns of the USA and the Soviet Union. After the Cold War the political relevance and benefits of space continued to be recognised by states. In view of the recent emergence of new major space powers such as China, the focus has again shifted to the military use of outer space and the potential that a state with advanced space technology may use it for military purposes in order to dominate other states. Article IV of the Outer Space Treaty prohibits the installation of nuclear weapons and weapons of mass destruction in outer space and determines that the moon and other celestial bodies shall be used for peaceful purposes only. Due to the dual-use character of many space assets, the distinction between military and non-military uses of outer space is becoming increasingly blurred. This article discusses a number of legal challenges presented by article IV of the Outer Space Treaty, relating specifically to the term peaceful, the distinction between the terms militarisation and weaponisation and the nature of a space weapon. It is concluded that article IV is in many respects outdated and that it cannot address the current legal issues relating to the military use of outer space. The legal vacuum in this area may have grave consequences not only for maintaining peace and security in outer space, but also on earth. Consequently, an international dialogue on the military uses of outer space should be

  6. Combinatorial and model-theoretical principles related to regularity of ultrafilters and compactness of topological spaces. IV


    Lipparini, Paolo


    We extend to singular cardinals the model-theoretical relation $\\lambda \\stackrel{\\kappa}{\\Rightarrow} \\mu$ introduced in P. Lipparini, The compactness spectrum of abstract logics, large cardinals and combinatorial principles, Boll. Unione Matematica Italiana ser. VII, {\\bf 4-B} 875--903 (1990). We extend some results obtained in Part II, finding equivalent conditions involving uniformity of ultrafilters and the existence of certain infinite matrices. Our present definition suggests a new com...

  7. The Herschel Exploitation of Local Galaxy Andromeda (HELGA). IV. Dust scaling relations at sub-kpc resolution (United States)

    Viaene, S.; Fritz, J.; Baes, M.; Bendo, G. J.; Blommaert, J. A. D. L.; Boquien, M.; Boselli, A.; Ciesla, L.; Cortese, L.; De Looze, I.; Gear, W. K.; Gentile, G.; Hughes, T. M.; Jarrett, T.; Karczewski, O. Ł.; Smith, M. W. L.; Spinoglio, L.; Tamm, A.; Tempel, E.; Thilker, D.; Verstappen, J.


    Context. Dust and stars play a complex game of interactions in the interstellar medium and around young stars. The imprints of these processes are visible in scaling relations between stellar characteristics, star formation parameters, and dust properties. Aims: In the present work, we aim to examine dust scaling relations on a sub-kpc resolution in the Andromeda galaxy (M 31). The goal is to investigate the properties of M 31 on both a global and local scale and compare them to other galaxies of the local universe. Methods: New Herschel observations are combined with available data from GALEX, SDSS, WISE, and Spitzer to construct a dataset covering UV to submm wavelengths. All images were brought to the beam size and pixel grid of the SPIRE 500 μm frame. This divides M 31 in 22 437 pixels of 36 arcseconds in size on the sky, corresponding to physical regions of 137 × 608 pc in the galaxy's disk. A panchromatic spectral energy distribution was modelled for each pixel and maps of the physical quantities were constructed. Several scaling relations were investigated, focussing on the interactions of dust with starlight. Results: We find, on a sub-kpc scale, strong correlations between Mdust/M⋆ and NUV-r, and between Mdust/M⋆ and μ⋆ (the stellar mass surface density). Striking similarities with corresponding relations based on integrated galaxies are found. We decompose M 31 in four macro-regions based on their far-infrared morphology; the bulge, inner disk, star forming ring, and the outer disk region. In the scaling relations, all regions closely follow the galaxy-scale average trends and behave like galaxies of different morphological types. The specific star formation characteristics we derive for these macro-regions give strong hints of an inside-out formation of the bulge-disk geometry, as well as an internal downsizing process. Within each macro-region, however, a great diversity in individual micro-regions is found, regardless of the properties of the

  8. Nd{sub 2}(SeO{sub 3}){sub 2}(SeO{sub 4}) . 2H{sub 2}O - a mixed-valence compound containing selenium in the oxidation states +IV and +VI

    Energy Technology Data Exchange (ETDEWEB)

    Berdonosov, P.S.; Dityat' yev, O.A.; Dolgikh, V.A. [Department of Chemistry, Moscow State University (Russian Federation); Schmidt, P.; Ruck, Michael [Institute for Inorganic Chemistry, University of Technology, Dresden (Germany); Lightfoot, P. [School of Chemistry, University of St. Andrews (United Kingdom)


    Pale pink crystals of Nd{sub 2}(SeO{sub 3}){sub 2}(SeO{sub 4}) . 2H{sub 2}O were synthesized under hydrothermal conditions from H{sub 2}SeO{sub 3} and Nd{sub 2}O{sub 3} at about 200 C. X-ray diffraction on powder and single-crystals revealed that the compound crystallizes with the monoclinic space group C 2/c (a = 12.276(1) A, b = 7.0783(5) A, c = 13.329(1) A, {beta} = 104.276(7) ). The crystal structure of Nd{sub 2}(SeO{sub 3}){sub 2}(SeO{sub 4}) . 2H{sub 2}O is an ordered variant of the corresponding erbium compound. Eight oxygen atoms coordinate the Nd{sup III} atom in the shape of a bi-capped trigonal prism. The oxygen atoms are part of pyramidal (Se{sup IV}O{sub 3}){sup 2-} groups, (Se{sup VI}O{sub 4}){sup 2-} tetrahedra and water molecules. The [NdO{sub 8}] polyhedra share edges to form chains oriented along [010]. The selenate ions link these chains into layers parallel to (001). The layers are interconnected by the selenite ions into a three-dimensional framework. The dehydration of Nd{sub 2}(SeO{sub 3}){sub 2}(SeO{sub 4}) . 2H{sub 2}O starts at 260 C. The thermal decomposition into Nd{sub 2}SeO{sub 5}, SeO{sub 2} and O{sub 2} at 680 C is followed by further loss of SeO{sub 2} leaving cubic Nd{sub 2}O{sub 3}. (Abstract Copyright [2004], Wiley Periodicals, Inc.) [German] Hellrosa Kristalle von Nd{sub 2}(SeO{sub 3}){sub 2}(SeO{sub 4}) . 2H{sub 2}O wurden bei rund 200 C unter hydrothermalen Bedingungen aus H{sub 2}SeO{sub 3} und Nd{sub 2}O{sub 3} hergestellt. Aus Roentgenbeugungsuntersuchungen an Pulvern und Einkristallen geht hervor, dass die Verbindung in der monoklinen Raumgruppe C 2/c kristallisiert (a = 12.276(1) A, b = 7.0783(5) A, c = 13.329(1) A, {beta} = 104.276(7) ). Die Kristallstruktur von Nd{sub 2}(SeO{sub 3}){sub 2}(SeO{sub 4}) . 2H{sub 2}O ist eine Ordnungsvariante der entsprechenden Erbiumverbindung. Acht O-Atome umgeben das Nd{sup III}-Atom in Form eines zweifach ueberdachten, trigonalen Prismas. Die O-Atome sind Teil zweier pyramidaler (Se

  9. Investigations on organogermanium compounds; IV. Transalkylation reactions between germanium compounds

    NARCIS (Netherlands)

    Rijkens, F.


    Transalkylation reactions between germanium derivatives, including substituted digermanes, have been investigated. These reactions, which usually need a catalyst, e.g. a germanium dihalide, are tentatively explained by an electrophilic attack on the carbon atom of a germanium-carbon bond of the


    Directory of Open Access Journals (Sweden)

    Dragan Branković


    Full Text Available Teaching physical education and physical training of children, should be appropriate to their age abilities and needs. Acquire the diversified movement experience is a priority of physical education in junior school age. Students fourth grade of primary school - age 10-11 years, in the sensitive period for developing coordination and speed capabilities. Sports game handball and mode of the game "mini-handball", which is adapted to students age abilities and spatial characteristics of the majority of primary schools, abundant with various tasks, specifically dominated by natural forms of movement - running, jumping, throwing. Therefore, handball has a significant role in solving the tasks of physical education. The specific motor tests and relations with the general motor skills are particularly important for continuous monitoring of motor development of children. The survey was conducted on 79 boys fourth grade of primary school who participated in the electoral sport of handball in the regular physical education classes. The results of the handball test "ball slalom" and its relation with general motor skills of students fourth grade of primary school, should contribute to the perception of the value of handball as the content of physical education, but also to contribute to the selection and forecast performance of children in handball.

  11. Perfluorinated compounds (PFCs) in groundwater and aqueous soil extracts: using inline SPE-LC-MS/MS for screening and sorption characterisation of perfluorooctane sulphonate and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Enevoldsen, Rasmus [Geological Survey of Denmark and Greenland (GEUS), Department of Geochemistry, Copenhagen (Denmark); Novo Nordisk A/S, Kalundborg (Denmark); Juhler, Rene K. [Geological Survey of Denmark and Greenland (GEUS), Department of Geochemistry, Copenhagen (Denmark)


    Perfluorinated compounds (PFCs) have been recognised as emerging pollutants of global relevance. A fully automated method with inline solid-phase extraction coupled to electrospray ionisation liquid chromatography-tandem mass spectrometry (SPE-LC-MS/MS) is presented and used for characterisation of soil adsorption and desorption for six PFCs: perfluoroheptanoic acid (PFHpA), perfluorooctanoic acid (PFOA), perfluorononanoic acid (PFNA), perfluorodecanoic acid (PFDA), perfluorobutane sulphonate (PFBS), and perfluorooctane sulphonate (PFOS). The method reduces sample turnaround time and solvent consumption and is suitable for low volume sampling. The only sample preparation necessary for water samples was sedimentation by centrifugation. The method has a total runtime of 21 min including inline sample cleanup (2 min for injection and SPE, 14 min for the chromatographic separation, 5 min for reconditioning). Negative AP-ESI with selective reaction monitoring (SRM) was used and the method was documented for quantification of the six environmentally important PFCs in subsoil matrix and related aqueous matrixes (groundwater and drainage water). Linearity was demonstrated in the range 5 to 2,500 ng/l and the LOD was between 2 and 8 ng/l in groundwater. Adsorption was characterised by linear Freundlich isotherms for all six compounds in two agricultural top soils (A horizon, sandy and clayey soil).Variability in sorption characteristics for soil types as well as compound properties were found, and correlation between the organic carbon normalised sorption coefficient (K{sub OC}) and PFC molecular weight was demonstrated. The K{sub d} values were in the range 0.1 to 33 (l/kg), and 0.3 to 65 (l/kg) for sorption and desorption respectively. (orig.)

  12. Scale covariance and G-varying cosmology. IV - The log N-log S relation. [radio source models (United States)

    Canuto, V. M.; Owen, J. R.


    The traditional radio counts N(S) and radio source models are studied within the framework of the scale-covariant cosmology developed to investigate whether the relative strength of the gravitational and electromagnetic constants is a function of cosmological epoch. It is found that a gravitational constant G varying as the inverse of t, where t is the epoch in atomic units, is consistent with all the data analyzed. For a wide class of models the present cosmology allows a finer discrimination of the deceleration parameter than does standard theory. The results, when combined with those of previous papers, namely, those from radio and optical flux and angular-diameter data analysis, favor an open universe.

  13. 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


    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.

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

    Energy Technology Data Exchange (ETDEWEB)

    Pachmayr, Ursula Elisabeth


    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

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

    Directory of Open Access Journals (Sweden)

    V. Varutbangkul


    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


    NARCIS (Netherlands)

    PRAS, N


    The nearly unlimited enzymatic potential of cultured plant cells can basically be employed for bioconversion purposes. Plant enzymes are able to catalyze regio- and stereospecific reactions and can therefore be applied to the production of compounds of pharmaceutical interest. Naturally occurring as

  17. Bioactive fruit and seed compounds produced by ziziphus jujube and related plant species (United States)

    The jujube fruit is widely cultivated from China to Southwest Europe, India and the Middle East. Fresh, processed, and dried jujube fruit is used as a medical food, mostly in fresh form or as dried dates and confectionary recipes. Jujube fruit and seed extracts and pure compounds are reported to exh...

  18. Identification of peptide and protein doping related drug compounds confiscated in Denmark between 2007-2013

    DEFF Research Database (Denmark)

    Hartvig, Rune Andersen; Holm, Niels Bjerre; Dalsgaard, Petur Weihe


    We present an overview of protein and peptide compounds confiscated in Denmark from late 2007 till late 2013 together with a description of a newly developed HRAM-LC-MS method used for identification. As examples of identification, we present data for the peptides AOD-9604, [D-Ala2, Gln8, Ala15...

  19. Reaction Pathways for the Deoxygenation of Vegetable Oils and Related Model Compounds

    NARCIS (Netherlands)

    Gosselink, R.W.|info:eu-repo/dai/nl/326164081; Hollak, S.A.W.; Chang, S.W.; van Haveren, J.; de Jong, K.P.|info:eu-repo/dai/nl/06885580X; Bitter, J.H.|info:eu-repo/dai/nl/160581435; van Es, D.S.


    Vegetable oil-based feeds are regarded as an alternative source for the production of fuels and chemicals. Paraffins and olefins can be produced from these feeds through catalytic deoxygenation. The fundamentals of this process are mostly studied by using model compounds such as fatty acids, fatty

  20. Profiling of Nutritional and Health-Related Compounds in Oat Varieties

    NARCIS (Netherlands)

    Broeck, van den H.C.; Londono Cardona, D.M.; Timmer, R.D.; Smulders, M.J.M.; Gilissen, L.J.W.J.; Meer, van der I.M.


    The use of oats in the human diet has decreased over the past 70 years. This is an unfortunate development from the perspective of human health because oats have a high nutritional value and contain many compounds, including β-glucan, polyphenols, vitamins, and unsaturated fatty acids that are able

  1. Investigations on MnSb and related compounds with b8-type structures

    NARCIS (Netherlands)

    Bouwma, Jakob


    This thesis describes investigations on phases with hexagonal B8-type structures in the systems Mn-Sb-Sn, Mn-Sb-Te, Mn-Cr-Sb and Mn-V-Sb. In -chapter 1 some general remarks are made on compounds with B8-type structures. The preparation of the samples, and the X-ray crystallographic investigations

  2. 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


    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.

  3. Influence of addition of urea and its related compounds on formation of various neodymium and cerium phosphates

    Energy Technology Data Exchange (ETDEWEB)

    Onoda, Hiroaki; Takenaka, Atsushi; Kojima, Kazuo; Nariai, Hiroyuki


    The mixture of rare earth oxide (Nd{sub 2}O{sub 3} or CeO{sub 2}), phosphorus compound ((NH{sub 4}){sub 2}HPO{sub 4} or H{sub 3}PO{sub 4}), and an additive (urea: CO(NH{sub 2}){sub 2}, biuret: NH(CONH{sub 2}){sub 2}, cyanuric acid: (CONH){sub 3}, or ammonium hydrogencarbonate: NH{sub 4}HCO{sub 3}) was heated at 700 deg. C for 3 h. And then thermal products were analyzed by X-ray diffraction and Fourier transform infrared spectroscopy. In the system of Nd{sub 2}O{sub 3}-(NH{sub 4}){sub 2}HPO{sub 4}, the addition of urea had a little influence on formation of Monazite-type neodymium orthophosphate: NdPO{sub 4}, polyphosphate: Nd(PO{sub 3}){sub 3}, and ultraphosphate: NdP{sub 5}O{sub 14}. In the system of Nd{sub 2}O{sub 3}-H{sub 3}PO{sub 4}, urea worked as dehydrating agent in a certain region of CO(NH{sub 2}){sub 2}/P ratio to form much P-O-P bonding. Thermal products changed from Monazite-type NdPO{sub 4} to Nd(PO{sub 3}){sub 3} and from Nd(PO{sub 3}){sub 3} to NdP{sub 5}O{sub 14}. The promotion of dehydration reaction was observed only in the system added urea, not in the systems added biuret, cyanuric acid, and ammonium hydrogencarbonate. In cerium salts, Monazite-type Ce(+III)PO{sub 4}, Ce(+IV)P{sub 2}O{sub 7}, Ce(+III)(PO{sub 3}){sub 3}, Ce(+IV)(PO{sub 3}){sub 4}, and Ce(+III)P{sub 5}O{sub 14} were formed without the addition of urea. The addition of urea prevented the formation of tetra-valent cerium phosphates. It was considered that ammonia produced from the decomposition of urea made up a reducing atmosphere and that in this atmosphere Ce(+IV) cation was reduced to Ce(+III) cation.

  4. Separate Ways: The Mass-Metallicity Relation Does Not Strongly Correlate with Star Formation Rate in SDSS-IV MaNGA Galaxies (United States)

    Barrera-Ballesteros, J. K.; Sánchez, S. F.; Heckman, T.; Blanc, G. A.; The MaNGA Team


    We present the integrated stellar mass-metallicity relation (MZR) for more than 1700 galaxies included in the integral field area SDSS-IV MaNGA survey. The spatially resolved data allow us to determine the metallicity at the same physical scale (effective radius, R eff) using a heterogeneous set of 10 abundance calibrators. In addition to scale factors, the shape of the MZR is similar for all calibrators, consistent with those reported previously using single-fiber and integral field spectroscopy. We compare the residuals of this relation against the star formation rate (SFR) and specific SFR (sSFR). We do not find a strong secondary relation of the MZR with either SFR or sSFR for any of the calibrators, in contrast with previous single-fiber spectroscopic studies. Our results agree with a scenario in which metal enrichment happens at local scales, with global outflows playing a secondary role in shaping the chemistry of galaxies and cold-gas inflows regulating the stellar formation.

  5. Separate Ways: The Mass–Metallicity Relation Does Not Strongly Correlate with Star Formation Rate in SDSS-IV MaNGA Galaxies

    Energy Technology Data Exchange (ETDEWEB)

    Barrera-Ballesteros, J. K.; Heckman, T. [Department of Physics and Astronomy, Johns Hopkins University, Bloomberg Center, 3400 N. Charles St., Baltimore, MD 21218 (United States); Sánchez, S. F. [Instituto de Astronomía, Universidad Nacional Autónoma de México, A.P. 70-264, 04510 México, D.F., México (Mexico); Blanc, G. A., E-mail: [Observatories of the Carnegie Institution for Science, 813 Santa Barbara St, Pasadena, CA 91101 (United States); Collaboration: MaNGA Team


    We present the integrated stellar mass–metallicity relation (MZR) for more than 1700 galaxies included in the integral field area SDSS-IV MaNGA survey. The spatially resolved data allow us to determine the metallicity at the same physical scale (effective radius, R {sub eff}) using a heterogeneous set of 10 abundance calibrators. In addition to scale factors, the shape of the MZR is similar for all calibrators, consistent with those reported previously using single-fiber and integral field spectroscopy. We compare the residuals of this relation against the star formation rate (SFR) and specific SFR (sSFR). We do not find a strong secondary relation of the MZR with either SFR or sSFR for any of the calibrators, in contrast with previous single-fiber spectroscopic studies. Our results agree with a scenario in which metal enrichment happens at local scales, with global outflows playing a secondary role in shaping the chemistry of galaxies and cold-gas inflows regulating the stellar formation.

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

    Directory of Open Access Journals (Sweden)

    Cyrus Vahdatpour


    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.

  7. Electronic structure of new MgCNi sub 3 superconductor and related intermetallic compounds

    CERN Document Server

    Shein, I R; Medvedeva, N I


    On the basis of self-congruent FP-LMTO method one investigated into band structure of a new MgCNi sub 3 perovskite-like superconductor. MgCNi sub 3 superconducting properties are linked with occurrence of density intensive peak of Ni3d-states near the Fermi level. Absence of superconductivity for MgC sub 1 sub - sub x Ni sub 3 nonstoichiometric compound is caused by system transition to magnetic state. One discussed possibilities to detect superconductivity for isostructural MgCNi sub 3 of ScBNi sub 3 , InBNi sub 3 , MgCCo sub 3 and MgCCu sub 3 intermetallic compounds

  8. Highly fluorinated 2,2'-biphenols and related compounds: relationship between substitution pattern and herbicidal activity. (United States)

    Francke, Robert; Reingruber, Rüdiger; Schollmeyer, Dieter; Waldvogel, Siegfried R


    A broad range of halogenated 2,2'-biphenols was tested for applicability as crop protection agents. The activity of these compounds toward four typical pest plants was observed after application by spraying of diluted solutions. Despite their rather simple structure, it was found that the studied compounds reveal a surprisingly high herbicidal impact. To gain a better understanding of the structure-activity relationship, specific sites of the molecule were chemically modified and the core structures thus gradually changed. The influence of the substitution pattern on the herbicidal properties is discussed, and conclusions on the active site of the biphenol structure are drawn. It was observed that type and position of the halogen substituents have a significant influence on the activity of the core structure. The hydroxy functionalities play a crucial role for the effectiveness of the tested compounds. Because the blocking of the hydroxy moiety leads to dramatically deteriorated performances, the presence of these functionalities on the aromatic ring seems to be indispensable.

  9. Chemical kinetic study of the oxidation of toluene and related cyclic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Mehl, M; Frassoldati, A; Fietzek, R; Faravelli, T; Pitz, W; Ranzi, E


    Chemical kinetic models of hydrocarbons found in transportation fuels are needed to simulate combustion in engines and to improve engine performance. The study of the combustion of practical fuels, however, has to deal with their complex compositions, which generally involve hundreds of compounds. To provide a simplified approach for practical fuels, surrogate fuels including few relevant components are used instead of including all components. Among those components, toluene, the simplest of the alkyl benzenes, is one of the most prevalent aromatic compounds in gasoline in the U.S. (up to 30%) and is a promising candidate for formulating gasoline surrogates. Unfortunately, even though the combustion of aromatics been studied for a long time, the oxidation processes relevant to this class of compounds are still matter of discussion. In this work, the combustion of toluene is systematically approached through the analysis of the kinetics of some important intermediates contained in its kinetic submechanism. After discussing the combustion chemistry of cyclopentadiene, benzene, phenol and, finally, of toluene, the model is validated against literature experimental data over a wide range of operating conditions.

  10. 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: [Department of Chemistry, University of Girona, Campus Montilivi, 17071 Girona (Spain); Bayona, Josep M. [IDAEA-CSIC, Jordi Girona, 18, E-08034 Barcelona (Spain)


    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.

  11. Structural and luminescence properties of vapour-etched porous silicon and related compounds

    Energy Technology Data Exchange (ETDEWEB)

    Aouida, S.; Saadoun, M.; Saad, K. Ben; Bessais, B. [Institut National de Recherche Scientifique et Technique, Laboratoire de Photovoltaique et des Semiconducteurs, BP 95, 2050 Hammam- Lif (Tunisia)


    Porous silicon (PS) is usually prepared by the electrochemical anodization or the stain etching techniques. Recently, a new method consisting of exposing silicon substrates to acid vapours issued from a mixture of HNO{sub 3}/HF was employed to generate highly luminescent PS layers. The so-called HNO{sub 3}/HF vapour etching (VE) technique can be easily applied in various large area of silicon-based devices. Depending on the HNO{sub 3}/HF volume ratio, we found that VE silicon results in the formation of PS and/or a luminescent (NH{sub 4}){sub 2}SiF{sub 6} powder-like phase. FTIR spectra of VE-based PS layers formed at HNO{sub 3}/HF volume ratio ranging between 1/100-1/3 contain N-H and Si-F bonds related to NH{sub 4}{sup +} and SiF{sub 6}{sup 2-} ions in addition to the conventional SiH{sub x} species. These nitride and fluoride groups were identified to be associated to the (NH{sub 4}){sub 2}SiF{sub 6} powder-like phase which in turn contains small Si nanoparticles embedded in a SiO{sub x} matrix. The presence of such structures was explained as being the product of the VE technique itself. For vapours rich in HNO{sub 3} (HNO{sub 3}/HF volume ratio >1/4), the VE method can produce almost only the luminescent (NH{sub 4}){sub 2}SiF{sub 6} compound. The VE-based PS is essentially composed of dot-like Si particles with sizes not exceeding 5 nm and emitting a photoluminescence (PL) band around 1.93 eV. The PL band of the VE-based PS presents a shoulder at 2.09 eV, which becomes more significant after oxidation in air. This shoulder at 2.09 eV was attributed to an excitonic emission from the energy levels of the SiO{sub x} surrounding the smallest Si nanocrystallites. The PL band emission of the (NH{sub 4}){sub 2}SiF{sub 6} powder presents two peaks. The first one was attributed to Si nanocrystallites emitting at 1.98 eV. The second peak could be associated to the smallest nanocrystallites ({<=}1.5 nm). For these crystallites, excitons are trapped on the SiO{sub x

  12. Simultaneous determination of sucralose and related compounds by high-performance liquid chromatography with evaporative light scattering detection. (United States)

    Yan, Wenwu; Wang, Nani; Zhang, Peimin; Zhang, Jiajie; Wu, Shuchao; Zhu, Yan


    Sucralose is widely used in food and beverages as sweetener. Current synthesis approaches typically provide sucralose products with varying levels of related chlorinated carbohydrates which can affect the taste and flavor-modifying properties of sucralose. Quantification of related compounds in sucralose is often hampered by the lack of commercially available standards. In this work, nine related compounds were purified (purity>97%) and identified by liquid chromatography-mass spectrometry (LC-MS) and nuclear magnetic resonance (NMR), then a rapid and simple HPLC coupled with evaporative light scattering detection (ELSD) method has been developed for the simultaneous determination of sucralose and related compounds. Under optimized conditions, the method showed good linearity in the range of 2-600μgmL(-1) with determination coefficients R(2)⩾0.9990. Moreover, low limits of detection in the range of 0.5-2.0μgmL(-1) and good repeatability (RSDsucralose quality control and purification process monitoring. Copyright © 2016 Elsevier Ltd. All rights reserved.

  13. Effects of temperature and medium composition on inhibitory activities of gossypol-related compounds against aflatoxigenic fungi. (United States)

    Mellon, J E; Dowd, M K; Beltz, S B


    To investigate the effects of temperature and medium composition on growth/aflatoxin inhibitory activities of terpenoids gossypol, gossypolone and apogossypolone against Aspergillus flavus and A. parasiticus. The compounds were tested at a concentration of 100 μg ml(-1) in a Czapek Dox (Czapek) agar medium at 25, 31 and 37°C. Increased incubation temperature marginally increased growth inhibition caused by these compounds, but reduced the aflatoxin inhibition effected by gossypol. Gossypolone and apogossypolone retained good aflatoxin inhibitory activity against A. flavus and A. parasiticus at higher incubation temperatures. However, increased temperature also significantly reduced aflatoxin production in control cultures. The effects of the terpenoids on fungal growth and aflatoxin production against the same fungi were also determined in Czapek, Czapek with a protein/amino acid addendum and yeast extract sucrose (YES) media. Growth of these fungi in the protein-supplemented Czapek medium or in the YES medium greatly reduced the growth inhibition effects of the terpenoids. Apogossypolone displayed strong anti-aflatoxigenic activity in the Czapek medium, but this activity was significantly reduced in the protein-amended Czapek and YES media. Gossypol, which displayed little to no aflatoxin inhibitory activity in the Czapek medium, did yield significant anti-aflatoxigenic activity in the YES medium. Incubation temperature and media composition are important parameters involved in the regulation of aflatoxin production in A. flavus and A. parasiticus. These parameters also affect the potency of growth and aflatoxin inhibitory activities of these gossypol-related compounds against aflatoxigenic fungi. Studies utilizing gossypol-related compounds as inhibitory agents of biological activities should be interpreted with caution due to compound interaction with multiple components of the test system, especially serum proteins. Published [2013]. This article is a

  14. Index of Compounds Related to Hexamine and to R.D.X (United States)


    unstable compound which may be 1:3:5— trinitro-2-methyl- (6-ring). For the complicated polymorphism of HMX see Cornell, 0. S. R. D., Rep. 1227...1001. hKO’d © 1 j N02 N02 N02 N02| Jioan (See p. 76) in MeOH N K • HMX -""" • (McGill, X.R.4 Prog.Rep., 1 April 𔃼,4...Continued) RDX prepared by "Hexamine nitrolysis" contains traces of HMX ; (Toronto, X.R.16 Prog.Rep. fey 󈧯 SR7/4436: Bristol Br Rep. 23, May 󈧯

  15. Selective cytotoxicity of Pancratistatin-related natural Amaryllidaceae alkaloids: evaluation of the activity of two new compounds

    Directory of Open Access Journals (Sweden)

    McNulty James


    Full Text Available Abstract Background Pancratistatin (PST, a compound extracted from an Amaryllidaceae (AMD family plant, has been shown to specifically induce apoptosis in cancer cells with no/minimal toxic effect on normal cells. A systematic synthetic approach has indicated that the minimum cytotoxic pharmacophore comprises the trans-fused b/c-ring system containing the 2, 3, 4-triol unit in the C-ring. To further explore the structure-activity relationship of this group of compounds we have investigated the anti-cancer efficacy and specificity of two PST-related natural compounds, AMD4 and AMD5. Both of these compounds lack the polyhydroxylated lycorane element of PST instead having a methoxy-substuituted crinane skeleton. Results Our results indicate that AMD5 has efficacy and selectivity similar to PST, albeit at a 10-fold increased concentration. Interestingly AMD4 lacks apoptotic activity. Conclusion Our results indicate that the phenanthridone skeleton in natural Amaryllidaceae alkaloids may be a significant common element for selectivity against cancer cells; furthermore, the configuration of the methoxy-side groups is responsible for higher binding affinity to the target protein/s thus making for a more efficient anti-cancer agent.

  16. Anti-Chikungunya Viral Activities of Aplysiatoxin-Related Compounds from the Marine Cyanobacterium Trichodesmium erythraeum

    Directory of Open Access Journals (Sweden)

    Deepak Kumar Gupta


    Full Text Available Tropical filamentous marine cyanobacteria have emerged as a viable source of novel bioactive natural products for drug discovery and development. In the present study, aplysiatoxin (1, debromoaplysiatoxin (2 and anhydrodebromoaplysiatoxin (3, as well as two new analogues, 3-methoxyaplysiatoxin (4 and 3-methoxydebromoaplysiatoxin (5, are reported for the first time from the marine cyanobacterium Trichodesmium erythraeum. The identification of the bloom-forming cyanobacterial strain was confirmed based on phylogenetic analysis of its 16S rRNA sequences. Structural determination of the new analogues was achieved by extensive NMR spectroscopic analysis and comparison with NMR spectral data of known compounds. In addition, the antiviral activities of these marine toxins were assessed using Chikungunya virus (CHIKV-infected cells. Post-treatment experiments using the debrominated analogues, namely compounds 2, 3 and 5, displayed dose-dependent inhibition of CHIKV when tested at concentrations ranging from 0.1 µM to 10.0 µM. Furthermore, debromoaplysiatoxin (2 and 3-methoxydebromoaplysiatoxin (5 exhibited significant anti-CHIKV activities with EC50 values of 1.3 μM and 2.7 μM, respectively, and selectivity indices of 10.9 and 9.2, respectively.

  17. Adsorption of 2-acrylamido-2-methyl-1-propanesulfonic acid (AMPS) and related compounds onto montmorillonite clay. (United States)

    Greesh, Nagi; Hartmann, Patrice C; Cloete, Valeska; Sanderson, Ronald D


    Sodium montmorillonite clay (Na-MMT) was modified using 2-acrylamido-2-methyl-1-propanesulfonic acid (AMPS). The objective of this study was to determine which chemical group is the 'driving force' leading to the adsorption of AMPS inside the clay galleries. AMPS has been reported to be a good candidate as a clay modifier for the preparation of polymer-clay nanocomposites by in situ free radical polymerization in emulsion. However, the way in which AMPS interacts with the surface of MMT has not yet been studied. The type of interaction between organic modifiers and clay plays a determining role in the successful preparation of polymer-clay nanocomposite materials. The adsorption ability of three other organic compounds similar to AMPS, namely sodium 1-allyloxy-2-hydroxypropyl sulfonate (Cops), N-isopropylacrylamide (NIPA) and methacryloyloxyundecan-1-yl sulfate (MET), was also evaluated. These selected compounds also have functional groups potentially able to interact with the clay surface (i.e., a sulfonate group, an amido group, or a sulfate group, respectively). Results of FT-IR, TGA and SAXS analyses showed that AMPS, NIPA, Cops and MET all interacted with clay, but to various extents.

  18. Synergies and conflicts in multimedia pollution control related to utility compliance with Title IV of the Clean Air Act Amendments of 1990

    Energy Technology Data Exchange (ETDEWEB)

    Bailey, K.A.; Loeb, A.P.; Formento, J.W.; South, D.W.


    Most analyses of utility strategies for meeting Title IV requirements in the Clean Air Act Amendments of 1990 have focused on factors relating directly to utilities` sulfur dioxide control costs; however, there are a number of additional environmental requirements that utilities must meet at the same time they comply with the acid rain program. To illuminate the potential synergies and conflicts that these other regulatory mandates may have in connection with the acid rain program, it is necessary to conduct a thorough, simultaneous examination of the various programs. This report (1) reviews the environmental mandates that utilities must plant to meet in the next decade concurrently with those of the acid rain program, (2) evaluates the technologies that utilities may select to meet these requirements, (3) reviews the impacts of public utility regulation on the acid rain program, and (4) analyzes the interactions among the various programs for potential synergies and conflicts. Generally, this report finds that the lack of coordination among current and future regulatory programs may result in higher compliance costs than necessary. Failure to take advantage of cost-effective synergies and incremental compliance planning will increase control costs and reduce environmental benefits.

  19. Relationship Between Consumer Acceptability and Pungency-Related Flavor Compounds of Vidalia Onions. (United States)

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


    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

  20. Antioxidant activity and spectroscopic data of isoxanthohomol oxime and related compounds (United States)

    Potaniec, Bartłomiej; Grabarczyk, Małgorzata; Stompor, Monika; Szumny, Antoni; Zieliński, Paweł; Żołnierczyk, Anna Katarzyna; Anioł, Mirosław


    Oximes of isoxanthohumol (IXN), naringenin (N) and flavanone (FL) were synthesized with yields of 88-95% and their antioxidant activity was evaluated using the 1,1-diphenyl-2-picrylhydrazyl radical (DPPH) method. Although naringenin oxime (NOX) and flavanone oxime (FLOX) did not have any significant antioxidant effect (EC50 = 2.21 mM and 78.7 mM, respectively), isoxanthohumol oxime (IXNOX) showed a strong antioxidant activity (EC50 = 0.0411 mM), comparable to the activity of ascorbic acid (EC50 = 0.0181 mM). The structure of new compound IXNOX was established using 1H NMR, 13C NMR, IR and UV-VIS spectroscopy, by comparison to IXN, NOX and FLOX.

  1. Chemical studies of phytoestrogens and related compounds in dietary supplements: flax and chaparral. (United States)

    Obermeyer, W R; Musser, S M; Betz, J M; Casey, R E; Pohland, A E; Page, S W


    High-performance liquid chromatographic (HPLC) and mass spectrometric (MS) procedures were developed to determine lignans in flaxseed (Linum usitatissimum) and chaparral (Larrea tridentata). Flaxseed contains high levels of phytoestrogens. Chaparral has been associated with acute nonviral toxic hepatitis and contains lignans that are structurally similar to known estrogenic compounds. Both flaxseed and chaparral products have been marketed as dietary supplements. A mild enzyme hydrolysis procedure to prevent the formation of artifacts in the isolation step was used in the determination of secoisolariciresinol in flaxseed products. HPLC with ultraviolet spectral (UV) or MS detection was used as the determinative steps. HPLC procedures with UV detection and mass spectrometry were developed to characterize the phenolic components, including lignans and flavonoids, of chaparral and to direct fractionation studies for the bioassays.

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

    KAUST Repository

    Nihemaiti, Maolida


    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

  3. Relations between the structure of storage and the transport of chemical compounds in karstic aquifers (United States)

    Vaute, L.; Drogue, C.; Garrelly, L.; Ghelfenstein, M.


    Study of the movement of chemical compounds naturally present in the water, or which result from pollution, are examined according to the reservoir structure in karstic aquifers. Structure is represented by a simple geometrical model; slow flow takes place in blocks with a network of low-permeability cracks. The blocks are separated by highly permeable karstic conduits that allow rapid flow, and these form the aquifer drainage system. The karst studied covers 110 km 2. It is fed by an interrupted stream draining a 35 km 2 non-karstic basin, contaminated at the entry to the karst by effluents from a sewage treatment station. The underground water reappears as a resurgence with an annual average flow of approximately 1 m 3 s -1, after an apparent underground course of 8 km in the karst. Several local sources of pollution (effluent from septic tanks) contaminate the underground water during its course. Sixteen measurement operations were performed at 12 water points, between the interrupted stream and the spring. Some sampling points were at drains, and others were in the low-permeability fissured blocks. Comparison at each point of the concentrations of 14 chemical compounds gave the following results: when pollutant discharge occurs in a permeable zone, movement is rapid in the drainage network formed by the karstic conduits, and does not reach the less permeable fissured blocks which are thus protected; however, if discharge is in a low-permeability zone, the flow does not allow rapid movement of the polluted water, and this increases the pollutant concentration at the discharge. This simple pattern can be upset by a reversal of the apparent piezometric gradient between a block and a conduit during floods or pumping; this may reverse flow directions and hence modify the movement of contaminants. The study made it possible to site five boreholes whose positions in the karstic structure were unknown, showing the interest of such an approach for the forecasting of the

  4. Therapeutic potential of histaminergic compounds in the treatment of addiction and drug-related cognitive disorders. (United States)

    Alleva, Livia; Tirelli, Ezio; Brabant, Christian


    Addiction is a behavioral disorder characterized by the compulsive seeking and taking of drugs despite serious negative consequences. In particular, the chronic use of drugs impairs memory and cognitive functions, which aggravates the loss of control over drug use and complicates treatment outcome. Therefore, cognitive enhancers targeting acetylcholine have been proposed to treat addiction. Interestingly, histamine H(3) receptor (H(3)R) antagonists/inverse agonists stimulate acetylcholine transmission in different brain areas, facilitate memory in animal models and can reverse learning deficits induced by drugs such as scopolamine, dizocilpine and alcohol. Moreover, several studies found that compounds capable of activating the histaminergic system generally decrease the reinforcing effects of drugs, namely alcohol and opioids, in preclinical models of addiction. Finally, several H(3)R antagonists/inverse agonists increase histamine in the brain and have proven to be safe in humans. However, no studies have yet investigated the therapeutic potential of cognitive enhancing H(3)R antagonists/inverse agonists in the treatment of addiction in humans. The present review first describes the impact of addictive drugs on learning processes and cognitive functions that play an important role for addicts to remain abstinent. Second, our work briefly summarizes the relevant literature describing the function of histamine in learning, memory and drug addiction. Finally, the potential therapeutic use of histaminergic agents in the treatment of addiction is discussed. Our review suggests that histaminergic compounds like H(3)R antagonists/inverse agonists may improve the treatment outcome of addiction by reversing drug-induced cognitive deficits and/or diminishing the reinforcing properties of addictive drugs, especially opioids and alcohol. Copyright © 2012 Elsevier B.V. All rights reserved.

  5. Synthesis, spectroscopy (IR, multinuclear NMR, ESI-MS), diffraction, density functional study and in vitro antiproliferative activity of pyrazole-beta-diketone dihalotin(IV) compounds on 5 melanoma cell lines. (United States)

    Pettinari, Claudio; Caruso, Francesco; Zaffaroni, Nadia; Villa, Raffaella; Marchetti, Fabio; Pettinari, Riccardo; Phillips, Christine; Tanski, Joseph; Rossi, Miriam


    Novel 4-acylpyrazolon-5-ato-dihalotin(IV) complexes, [Q2SnX2], (X = F, Cl, Br or I); HQ = HQ(CHPh2) (1,2-dihydro-3-methyl-1-phenyl-4-(2,2-diphenylacetyl)pyrazol-5-one), HQ(Bn) (1,2-dihydro-3-methyl-1-phenyl-4-(2-phenylacetyl)pyrazol-5-one) or HQ(CF3,py) (4-(2,2,2-trifluoroacetyl)-1,2-dihydro-3-methyl-1-(pyridin-2-yl)pyrazol-5-one) have been synthesized and characterized by spectroscopic (IR, 1H, 13C, 19F and 119Sn NMR, electrospray ionisation mass spectrometry (ESI-MS)), analytical and structural methods (X-ray and density functional theory). 119Sn chemical shifts depend on the nature of the halides bonded to tin. Isomer conversion, detected in solution by NMR spectroscopy, is related to the acyl moiety bulkiness while the cis(Cl)-cis(acyl)-trans(pyrazolonato) scheme is found in the solid state. The in vitro antiproliferative tests of three derivatives on three human melanoma cell lines (JR8, SK-MEL-5, MEL501) and two melanoma cell clones (2/21 and 2/60) show dose-dependent decrease of cell proliferation in all cell lines. The activity correlates with the nature of the substituent on position 1 of pyrazole, decreasing in the order pyridyl>Ph>methyl. The activity for (Q(CF3,py))2SnCl2 on the SK-MEL-5 cell line is IC50 = 50 microM.

  6. Association between Physical Activity and Health-Related Quality of Life in Korean: The Korea National Health and Nutrition Examination Survey IV. (United States)

    Kim, Sunmi; Kwon, Young-Min; Park, You-Il


    Numerous studies have identified that physical activity (PA) has positive influences on quality of life. However, there has been little domestic research about the relation of PA to health-related quality of life (HRQoL) among the general population. The purpose of this study was to evaluate the effect of PA on HRQoL in Korean adults aged 40 years or over. This cross-sectional study was based on data acquired from the Korean National Health and Nutrition Examination Survey IV. Final study subjects were 10,392 adults aged 40 years or over. According to the severity and frequency of PA, the subjects were divided into three PA groups as follows: high-activity, mid-activity, and low-activity group. We compared the HRQoL estimated by the EuroQoL 5-dimension (EQ-5D), the EQ visual analogue scale (EQ-VAS), and EQ-5D index between three PA groups. The odds ratios for mid-activity group and high activity group compared with low activity group were significantly decreased in the dimension of mobility of EQ-5D (mid-activity group, 0.81 [0.69-0.94]; high activity group, 0.81 [0.67-0.99]). EQ-VAS was decreased as PA level was lowered from high activity group and mid-activity to low activity group. EQ-5D index was the highest in mid-activity group and the lowest in low activity group. PA above mid-activity group showed better HRQoL compared than low activity group.

  7. Analysis of relative concentration of ethanol and other odorous compounds (OCs emitted from the working surface at a landfill in China.

    Directory of Open Access Journals (Sweden)

    Dong Li

    Full Text Available 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.

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

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


    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. Thermodynamic data for predicting concentrations of Th(IV), U(IV), Np(IV), and Pu(IV) in geologic environments

    Energy Technology Data Exchange (ETDEWEB)

    Rai, Dhanpat; Roa, Linfeng; Weger, H.T.; Felmy, A.R. [Battelle, Pacific Northwest National Laboratory (PNNL) (United States); Choppin, G.R. [Florida State University (United States); Yui, Mikazu [Waste Isolation Research Division, Tokai Works, Japan Nuclear Cycle Development Inst., Tokai, Ibaraki (Japan)


    This report provides thermodynamic data for predicting concentrations of Th(IV), U(IV), Np(IV), and Pu(IV) in geologic environments, and contributes to an integration of the JNC chemical thermodynamic database, JNC-TDB (previously PNC-TDB), for the performance analysis of geological isolation system for high-level radioactive wastes. Thermodynamic data for the formation of complexes or compounds with hydroxide, chloride, fluoride, carbonate, nitrate, sulfate and phosphate are discussed in this report. Where data for specific actinide(IV) species was lacking, the data were selected based on chemical analogy to other tetravalent actinides. In this study, the Pitzer ion-interaction model is used to extrapolate thermodynamic constants to zero ionic strength at 25degC. (author)

  10. Vapor phase toxicity of marjoram oil compounds and their related monoterpenoids to Blattella germanica (Orthoptera: Blattellidae). (United States)

    Jang, Young-Su; Yang, Young-Cheol; Choi, Dal-Soon; Ahn, Young-Joon


    The toxicity of marjoram, Origanum majorana L., oil, 41 monoterpenoids, and 2 sesquiterpenoids against adult females of the German cockroach, Blattella germanica L., was examined using direct contact and vapor phase toxicity bioassays and compared with those of deltamethrin, dichlorvos, permethrin, and propoxur, four commonly used insecticides. In a filter-paper contact toxicity bioassay, the adulticidal activities of pulegone (0.06 mg/cm2), (+/-)-camphor (0.07 mg/cm2), and verbenone (0.07 mg/cm2) were comparable to that of permethrin (0.05 mg/cm2) but more pronounced than that of propoxur (0.18 mg/cm2), as judged by the 24-h LC50 values. These compounds were less effective than either deltamethrin (0.013 mg/cm2) or dichlorvos (0.007 mg/cm2). The toxicity of marjoram oil, thymol, alpha-terpineol, (-)-alpha-thujone, linalool, 1,8-cineole, (-)-camphor, and (+)-carvone, ranging from 0.08 to 0.18 mg/cm2, was higher than that of propoxur. In vapor phase toxicity tests, verbenone (11.48 mg/L air) was the most toxic compound followed by (-)-alpha-thujone (18.43 mg/L of air), thymol (18.76 mg/L of air), alpha-terpineol (21.89 mg/L of air), (+/-)-camphor (24.59 mg/L of air), linalool (26.20 mg/L of air), and marjoram oil (38.28 mg/L of air) on the basis of the 24-h LC50 values. Dichlorvos (0.07 mg/L of air) was the most potent fumigant. Structure-activity relationships indicate that structural characteristics, such as degrees of saturation and types of functional groups rather than types of carbon skeleton, and hydrophobicity and vapor pressure parameters appear to play a role in determining the monoterpenoid toxicities to adult B. germanica. Marjoram oil and the monoterpenoids described merit further study as potential fumigants or leads for the control of B. germanica.

  11. Isolation of bacterial strains able to metabolize lignin and lignin-related compounds. (United States)

    Tian, J-H; Pourcher, A-M; Peu, P


    In this study, we identified five strains isolated from soil and sediments able to degrade kraft lignin, aromatic dyes and lignin derivatives. Using 16S rRNA gene sequencing, the isolates were identified as Serratia sp. JHT01, Serratia liquefacien PT01, Pseudomonas chlororaphis PT02, Stenotrophomonas maltophilia PT03 and Mesorhizobium sp. PT04. All the isolates showed significant growth on lignin with no water-extractable compounds. Synthetic aromatic dyes were used to assess the presence of oxidative enzymes. All the isolates were able to use the thiazine dye Methylene blue and the anthraquinone dye Remazol Brilliant Blue R as the sole carbon source. Guaiacol, veratryl alcohol and biphenyl were also mineralized by all the strains isolated. These results suggest they could be used for the treatment of aromatic pollutants and for the degradation of the lignocellulosic biomass. The valorization of waste lignin and lignocellulosic biomass by biocatalysis opens up new possibilities for the production of value-added substituted aromatics, biofuel and for the treatment of aromatic pollutants. Bacteria with ligninolytic potential could be a source of novel enzymes for controlled lignin depolymerization. In this work, five soil bacteria were isolated and studied. Every isolate showed significant growth on lignin and was able to degrade several lignin monomers and ligninolytic indicator dyes. They could thus be a source of novel ligninolytic enzymes as well as candidates for a bacterial consortium for the delignification of lignocellulosic biomass. © 2016 The Society for Applied Microbiology.

  12. Structural bases of norovirus RNA dependent RNA polymerase inhibition by novel suramin-related compounds.

    Directory of Open Access Journals (Sweden)

    Romina Croci

    Full Text Available Noroviruses (NV are +ssRNA viruses responsible for severe gastroenteritis; no effective vaccines/antivirals are currently available. We previously identified Suramin (9 as a potent inhibitor of NV-RNA dependent RNA polymerase (NV-RdRp. Despite significant in vitro activities versus several pharmacological targets, Suramin clinical use is hampered by pharmacokinetics/toxicity problems. To improve Suramin access to NV-RdRp in vivo, a Suramin-derivative, 8, devoid of two sulphonate groups, was synthesized, achieving significant anti-human-NV-RdRp activity (IC50 = 28 nM; the compound inhibits also murine NV (mNV RdRp. The synthesis process led to the isolation/characterization of lower molecular weight intermediates (3-7 hosting only one sulphonate head. The crystal structures of both hNV/mNV-RdRps in complex with 6, were analyzed, providing new knowledge on the interactions that a small fragment can establish with NV-RdRps, and establishing a platform for structure-guided optimization of potency, selectivity and drugability.

  13. 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)


    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.

  14. In-Silico Analyses of Sesquiterpene-Related Compounds on Selected Leishmania Enzyme-Based Targets

    Directory of Open Access Journals (Sweden)

    Freddy A. Bernal


    Full Text Available A great number of sesquiterpenes are reported in the available literature as good antileishmanial leads. However, their mode of action at the molecular level has not been elucidated. The lack of molecular studies could be considered an impediment for studies seeking to improve sesquiterpene-based drug design. The present in silico study allows us to make important observations about the molecular details of the binding modes of a set of antileishmanial sesquiterpenes against four drug-enzyme targets [pteridine reductase-1 (PTR1, N-myristoyl transferase (NMT, cysteine synthase (CS, trypanothione synthetase (TryS]. Through molecular docking it was found that two sesquiterpene coumarins are promising leads for the PTR1 and TryS inhibition purposes, and some xanthanolides also exhibited better affinity towards PTR1 and CS binding. In addition, the affinity values were clustered by Principal Component Analysis and drug-like properties were analyzed for the strongest-docking sesquiterpenes. The results are an excellent starting point for future studies of structural optimization of this kind of compounds.

  15. Prevalence, correlates, disability, and comorbidity of DSM-IV borderline personality disorder: results from the Wave 2 National Epidemiologic Survey on Alcohol and Related Conditions. (United States)

    Grant, Bridget F; Chou, S Patricia; Goldstein, Risë B; Huang, Boji; Stinson, Frederick S; Saha, Tulshi D; Smith, Sharon M; Dawson, Deborah A; Pulay, Attila J; Pickering, Roger P; Ruan, W June


    To present nationally representative findings on prevalence, sociodemographic correlates, disability, and comorbidity of borderline personality disorder (BPD) among men and women. Face-to-face interviews were conducted with 34,653 adults participating in the 2004-2005 Wave 2 National Epidemiologic Survey on Alcohol and Related Conditions. Personality disorder diagnoses were made using the Wave 2 Alcohol Use Disorder and Associated Disabilities Interview Schedule-DSM-IV Version. Prevalence of lifetime BPD was 5.9% (99% CI = 5.4 to 6.4). There were no differences in the rates of BPD among men (5.6%, 99% CI = 5.0 to 6.2) and women (6.2%, 99% CI = 5.6 to 6.9). BPD was more prevalent among Native American men, younger and separated/divorced/widowed adults, and those with lower incomes and education and was less prevalent among Hispanic men and women and Asian women. BPD was associated with substantial mental and physical disability, especially among women. High co-occurrence rates of mood and anxiety disorders with BPD were similar. With additional comorbidity controlled for, associations with bipolar disorder and schizotypal and narcissistic personality disorders remained strong and significant (odds ratios > or = 4.3). Associations of BPD with other specific disorders were no longer significant or were considerably weakened. BPD is much more prevalent in the general population than previously recognized, is equally prevalent among men and women, and is associated with considerable mental and physical disability, especially among women. Unique and common factors may differentially contribute to disorder-specific comorbidity with BPD, and some of these associations appear to be sex-specific. There is a need for future epidemiologic, clinical, and genetically informed studies to identify unique and common factors that underlie disorder-specific comorbidity with BPD. Important sex differences observed in rates of BPD and associations with BPD can inform more focused

  16. Prevalence, correlates, disability, and comorbidity of DSM-IV narcissistic personality disorder: results from the wave 2 national epidemiologic survey on alcohol and related conditions. (United States)

    Stinson, Frederick S; Dawson, Deborah A; Goldstein, Risë B; Chou, S Patricia; Huang, Boji; Smith, Sharon M; Ruan, W June; Pulay, Attila J; Saha, Tulshi D; Pickering, Roger P; Grant, Bridget F


    To present nationally representative findings on prevalence, sociodemographic correlates, disability, and comorbidity of narcissistic personality disorder (NPD) among men and women. Face-to-face interviews with 34,653 adults participating in the Wave 2 National Epidemiologic Survey on Alcohol and Related Conditions conducted between 2004 and 2005 in the United States. Prevalence of lifetime NPD was 6.2%, with rates greater for men (7.7%) than for women (4.8%). NPD was significantly more prevalent among black men and women and Hispanic women, younger adults, and separated/divorced/widowed and never married adults. NPD was associated with mental disability among men but not women. High co-occurrence rates of substance use, mood, and anxiety disorders and other personality disorders were observed. With additional comorbidity controlled for, associations with bipolar I disorder, post-traumatic stress disorder, and schizotypal and borderline personality disorders remained significant, but weakened, among men and women. Similar associations were observed between NPD and specific phobia, generalized anxiety disorder, and bipolar II disorder among women and between NPD and alcohol abuse, alcohol dependence, drug dependence, and histrionic and obsessive-compulsive personality disorders among men. Dysthymic disorder was significantly and negatively associated with NPD. NPD is a prevalent personality disorder in the general U.S. population and is associated with considerable disability among men, whose rates exceed those of women. NPD may not be as stable as previously recognized or described in the DSM-IV. The results highlight the need for further research from numerous perspectives to identify the unique and common genetic and environmental factors underlying the disorder-specific associations with NPD observed in this study.

  17. Prevalence, correlates, disability, and comorbidity of DSM-IV schizotypal personality disorder: results from the wave 2 national epidemiologic survey on alcohol and related conditions. (United States)

    Pulay, Attila J; Stinson, Frederick S; Dawson, Deborah A; Goldstein, Risë B; Chou, S Patricia; Huang, Boji; Saha, Tulshi D; Smith, Sharon M; Pickering, Roger P; Ruan, W June; Hasin, Deborah S; Grant, Bridget F


    To present nationally representative findings on the prevalence, correlates, and comorbidity of and disability associated with DSM-IV schizotypal personality disorder (SPD). This study used the 2004-2005 Wave 2 National Epidemiologic Survey on Alcohol and Related Conditions, which targeted a nationally representative sample of the adult civilian population of the United States aged 18 years and older and residing in households and group quarters. In Wave 2, attempts were made to conduct face-to-face reinterviews with all respondents to the Wave 1 interview. Lifetime prevalence of SPD was 3.9%, with significantly greater rates among men (4.2%) than women (3.7%) (p personality disorder was associated with substantial mental disability in both sexes. Co-occurrence rates of Axis I and other Axis II disorders among respondents with SPD were much higher than rates of co-occurrence of SPD among respondents with other disorders. After adjustment for sociodemographic characteristics and additional comorbidity, associations remained significant in both sexes between SPD and 12-month and lifetime bipolar I disorder, social and specific phobias, and posttraumatic stress disorder, as well as 12-month bipolar II disorder, lifetime generalized anxiety disorder, and borderline and narcissistic personality disorders (all p personality disorders, whereas much of the comorbidity between SPD and most mood and anxiety disorders appears to reflect factors common to these disorders. Some of the associations with SPD were sex specific. Schizotypal personality disorder and dependent, avoidant, and borderline personality disorders were associated with the occurrence of schizophrenia or psychotic episode. Schizotypal personality disorder is a prevalent, fairly stable, highly disabling disorder in the general population. Sex differences in associations of SPD with other specific Axis I and II disorders can inform more focused, hypothesis-driven investigations of factors underlying the

  18. Trace determination of sulphur mustard and related compounds in water by headspace-trap gas chromatography-mass spectrometry. (United States)

    Røen, Bent T; Unneberg, Erik; Tørnes, John Aa; Lundanes, Elsa


    A method for trace determination of sulphur mustard (HD) and some of its cyclic decomposition compounds in water samples has been developed using headspace-trap in combination with gas chromatography-mass spectrometry (GC-MS). Factorial design was used for optimisation of the method. The trap technology allows enrichment and focusing of the analytes on an adsorbent, hence the technique offers better sensitivity compared to conventional static headspace. A detection limit of 1ng/ml was achieved for HD, while the cyclic sulphur compounds 1,4-thioxane, 1,3-dithiolane and 1,4-dithiane could be detected at a level of 0.1ng/ml. The method was validated for the stable cyclic compounds in the concentration range from the limit of quantification (LOQ: 0.2-0.4ng/ml) to hundred times LOQ. The within and between assay precisions at hundred times LOQ were 1-2% and 7-8% relative standard deviation, respectively. This technique requires almost no sample handling, and the total time for sampling and analysis was less than 1h. The method was successfully employed for muddy river water and sea water samples. Copyright (c) 2009 Elsevier B.V. All rights reserved.

  19. Search for Sugars and Related Compounds in Residues Produced from the UV Irradiation of Astrophysical Ice Analogs (United States)

    Sandford, S. A.; Nuevo, M.; Materese, C. K.; Cooper, G. W.


    A large variety of organics of biological and prebiotic interests have been detected in meteorites, including one sugar and several sugar acids and sugar alcohols [1]. The presence of these compounds in meteorites, along with amino acids, amphiphiles, and nucleobases [2-4], indicates that molecules essential to life can be formed abiotically under astrophysical conditions. This hypothesis is supported by extensive laboratory studies involving the formation of complex organic molecules from the ultraviolet (UV) irradiation of astrophysical ice analogs (H2O, CO, CO2, CH3OH, CH4, NH3, etc.). These studies show that the organic residues recovered at room temperature contain many of the same compounds as those found in meteorites[3,58]. However, to the best of our knowledge, no systematic search for the presence of sugars and sugar derivatives in such laboratory residues have been reported to date. Only a limited number of small (greater than 4 C atoms) sugar-related compounds such as glycerol and glyceric acid [9], and more recently small (2-4 C atoms) aldehydes [10] have been detected in residues.

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

    Directory of Open Access Journals (Sweden)

    Al-Malki Abdulrahman L


    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.

  1. Biomedical Activity and Related Volatile Compounds of Thai Honeys from 3 Different Honeybee Species. (United States)

    Pattamayutanon, Praetinee; Angeli, Sergio; Thakeow, Prodpran; Abraham, John; Disayathanoowat, Terd; Chantawannakul, Panuwan


    This study investigated the effect of 3 factors (floral source, honeybee species, and postcollection processing) that influence the antibacterial activity, free radical reduction, and other biochemical compositions of different honey types typical of Thailand. Honey samples from 3 honeybee species (Apis mellifera, Apis cerana, and Apis dorsata) were obtained from 9 floral sources (longan, wild flower, lychee, coffee, sunflower, sesame, bitter bush, para-rubber, and manuka as a control) in different regions of Thailand. These samples were evaluated for both their total and nonperoxide antibacterial activity against 10 human pathogens by agar incorporation technique. Honey samples were further analyzed to evaluate the capacity for free radical-scavenging activity, total phenolic content, and the total flavonoid contents by the 2,2-diphenyl-1-picrylhydrazyl assay, Folin-Ciocalteu method, and aluminum chloride colorimetric assay, respectively. Furthermore, the volatile organic compounds (VOCs) of Thai honey samples were investigated by headspace solid-phase microextraction and gas chromatography-mass spectrometry analysis. Findings of this study suggest a strong correlation between floral origin and honeybee species on one hand, and differences in %Brix, total acidity, protein content, antimicrobial activities, free radical reduction, phenolic, and flavonoid contents on the other hand. Moreover, VOCs of wild and coffee honey types were remarkably different, depending on the floral source. Both honeys contained characteristics of VOCs, some of which are involved in antibacterial and antioxidant activities. Different origins and processing (floral source, honeybee species, and postcollection processing) of Thai honeys result in different antibacterial activities, physico-chemical properties, and aroma. Based on these findings, consumers of honey could select the type of honey based on their needs and preferred aroma. © 2015 Institute of Food Technologists®

  2. 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.

  3. Toxicity of basil oil constituents and related compounds and the efficacy of spray formulations to Dermatophagoides farinae (Acari: Pyroglyphidae). (United States)

    Perumalsamy, Haribalan; Kim, Jae Yeon; Kim, Jun-Ran; Hwang, Kum Na Ra; Ahn, Young-Joon


    Pyroglyphid house dust mites are the most common cause of allergic symptoms in humans. An assessment was made of the toxicity of basil, Ocimum basilicum L, essential oil, 11 basil oil constituents, seven structurally related compounds, and another 22 previously known basil oil constituents to adult American house dust mites, Dermatophagoides farinae Hughes. The efficacy of four experimental spray formulations containing basil oil (1, 2, 3, and 4% sprays) was also assessed. Results were compared with those of two conventional acaricides benzyl benzoate and N,N-diethyl-3-methylbenzamide. The active principles of basil oil were determined to be citral, alpha-terpineol, and linalool. Citral (24 h LC50, 1.13 microg/cm2) and menthol (1.69 microg/cm2) were the most toxic compounds, followed by methyl eugenol (5.78 microg/cm2). These compounds exhibited toxicity greater than benzyl benzoate (LC50, 8.41 microg/cm2) and N,N-diethyl-3-methylbenzamide (37.67 microg/cm2). Potent toxicity was also observed with eugenol, menthone, spathulenol, alpha-terpineol, nerolidol, zerumbone, and nerol (LC50, 12.52-21.44 microg/cm2). Interestingly, the sesquiterpenoid alpha-humulene, lacking only the carbonyl group present in zerumbone, was significantly less effective than zerumbone, indicating that the alpha,beta-unsaturated carbonyl group of zerumbone is a prerequisite component for toxicity. These compounds were consistently more toxic in closed versus open containers, indicating that their mode of delivery was largely a result of vapor action. Basil oil applied as 3 and 4% sprays provided 97 and 100% mortality against the mites, respectively, whereas permethrin (cis:trans, 25:75) 2.5 g/liter spray treatment resulted in 17% mortality. Our results indicate that practical dust mite control in indoor environments can be achieved by basil oil spray formulations (3 and 4% sprays) as potential contact-action fumigants.

  4. Food preferences of mangrove crabs related to leaf nitrogen compounds in the Segara Anakan Lagoon, Java, Indonesia (United States)

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


    The large amounts of leaf litter produced by tropical mangrove forests serve as a major food source for the benthic fauna. The reasons for the preferential consumption of mangrove leaves by crabs are unclear as yet. We investigated the diet, food preferences and consumption rates of 8 dominant grapsoid crab species ( Perisesarma spp., Episesarma spp., Metopograpsus latifrons, and Metaplax elegans) in mangroves of Segara Anakan, Java, Indonesia, by means of stomach-content analysis and feeding experiments. Leaves from the five most abundant mangrove tree species ( Aegiceras corniculatum, Avicennia alba, Ceriops decandra, Rhizophora apiculata, and Sonneratia caseolaris) were analyzed for organic carbon, total nitrogen, δ 13C, δ 15N and amino acids and hexosamines. This study is the first that investigated crab food preferences related to the nitrogen compound composition of leaves. Our results show that Episesarma spp. and Perisesarma spp. are omnivorous crabs which mainly feed on detritus, mangrove litter and bark, and on a small amount of roots, algae and animal matter whereas M. elegans is a detritus feeder. In feeding experiments with green, yellow and brown leaves Perisesarma spp. and E. singaporense had the highest consumption rates for brown leaves of R. apiculata and S. caseolaris, and for green leaves of A. alba. Preferred leaves were characterized by a high amount and/or freshness of nitrogenous compounds and their biochemical composition was significantly different from that of disliked leaves (all leaves of A. corniculatum and C. decandra, green and yellow leaves of R. apiculata and S. caseolaris). The presence of the hexosamine galactosamine found only in brown leaves indicates that bacteria contribute to the amount of bioavailable nitrogen compounds. We infer that the nitrogen compound composition rather than the C/N ratio alone is a determinant for bioavailability of mangrove leaves and hence may partly explain the crabs' food preferences.

  5. Comparative fate of an organochlorine, chlordecone, and a related compound, chlordecone-5b-hydro, in soils and plants. (United States)

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


    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.

  6. An annotated bibliography of recent significant publications on indigo and related compounds. (United States)

    Cooksey, C J


    This bibliography lists and provides commentary on publications describing the history, preparation, chemistry and applications of indigo and related dyes. The dates of the publications are mostly, but not exclusively, later than the previously published indigo bibliography. Note that commentary by the author is placed after the bibliographic information and is set in italics.

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

    NARCIS (Netherlands)

    Ortega-Recalde, O.; Fonseca, D.J.; Patino, L.C.; Atuesta, J.J.; Rivera-Nieto, C.; Restrepo, C.M.; Mateus, H.E.; van der Knaap, M.S.; Laissue, P.


    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

  8. Prevalence of 12-Month Alcohol Use, High-Risk Drinking, and DSM-IV Alcohol Use Disorder in the United States, 2001-2002 to 2012-2013: Results From the National Epidemiologic Survey on Alcohol and Related Conditions. (United States)

    Grant, Bridget F; Chou, S Patricia; Saha, Tulshi D; Pickering, Roger P; Kerridge, Bradley T; Ruan, W June; Huang, Boji; Jung, Jeesun; Zhang, Haitao; Fan, Amy; Hasin, Deborah S


    Lack of current and comprehensive trend data derived from a uniform, reliable, and valid source on alcohol use, high-risk drinking, and DSM-IV alcohol use disorder (AUD) represents a major gap in public health information. To present nationally representative data on changes in the prevalences of 12-month alcohol use, 12-month high-risk drinking, 12-month DSM-IV AUD, 12-month DSM-IV AUD among 12-month alcohol users, and 12-month DSM-IV AUD among 12-month high-risk drinkers between 2001-2002 and 2012-2013. The study data were derived from face-to-face interviews conducted in 2 nationally representative surveys of US adults: the National Epidemiologic Survey on Alcohol and Related Conditions, with data collected from April 2001 to June 2002, and the National Epidemiologic Survey on Alcohol and Related Conditions III, with data collected from April 2012 to June 2013. Data were analyzed in November and December 2016. Twelve-month alcohol use, high-risk drinking, and DSM-IV AUD. The study sample included 43 093 participants in the National Epidemiologic Survey on Alcohol and Related Conditions and 36 309 participants in the National Epidemiologic Survey on Alcohol and Related Conditions III. Between 2001-2002 and 2012-2013, 12-month alcohol use, high-risk drinking, and DSM-IV AUD increased by 11.2%, 29.9%, and 49.4%, respectively, with alcohol use increasing from 65.4% (95% CI, 64.3%-66.6%) to 72.7% (95% CI, 71.4%-73.9%), high-risk drinking increasing from 9.7% (95% CI, 9.3%-10.2%) to 12.6% (95% CI, 12.0%-13.2%), and DSM-IV AUD increasing from 8.5% (95% CI, 8.0%-8.9%) to 12.7% (95% CI, 12.1%-13.3%). With few exceptions, increases in alcohol use, high-risk drinking, and DSM-IV AUD between 2001-2002 and 2012-2013 were also statistically significant across sociodemographic subgroups. Increases in all of these outcomes were greatest among women, older adults, racial/ethnic minorities, and individuals with lower educational level and family income. Increases were also

  9. 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.


    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.

  10. The Pulmonary Surfactant: Impact of Tobacco Smoke and Related Compounds on Surfactant and Lung Development


    Scott, J Elliott


    Cigarette smoking, one of the most pervasive habits in society, presents many well established health risks. While lung cancer is probably the most common and well documented disease associated with tobacco exposure, it is becoming clear from recent research that many other diseases are causally related to smoking. Whether from direct smoking or inhaling environmental tobacco smoke (ETS), termed secondhand smoke, the cells of the respiratory tissues and the lining pulmonary surfactant are the...

  11. The Pulmonary Surfactant: Impact of Tobacco Smoke and Related Compounds on Surfactant and Lung Development


    Scott, J Elliott


    Abstract Cigarette smoking, one of the most pervasive habits in society, presents many well established health risks. While lung cancer is probably the most common and well documented disease associated with tobacco exposure, it is becoming clear from recent research that many other diseases are causally related to smoking. Whether from direct smoking or inhaling environmental tobacco smoke (ETS), termed secondhand smoke, the cells of the respiratory tissues and the lining pulmonary surfactan...

  12. Direct measurement of DX-centre related lattice relaxations in Al$_{x}$Ga$_{1-x}$As compounds

    CERN Multimedia


    Donor impurities from elements of group IV and VI form localized electronic states, so-called DX-centers, in AlGaAs and other semiconductors. One of the well known effects related to DX-centers is the persistent photoconductivity. In spite of extensive studies, the microscopic structure of the DX-center is still a matter of controversy. The direct determination of the donor lattice sites and their microscopical surrounding is a crucial point in understanding the relation of microscopic structure to the localized electronic state of the DX-center.\\\\ It is proposed to implant radioactive group VI elements $^{73}$Se (from $^{73}$Br) and $^{118}$Te (from $^{118}$Xe) into Al$_{x}$Ga$_{1-x}$As of different mole fractions ${x}$ and to determine (i) the lattice site of Te and Se impurities by emission channeling of decay positrons and electrons (ii) the local structure of Se impurities using the perturbed $\\gamma$-$\\gamma$-angular correlation technique (PAC). The appearance of the DX-center shall be check...

  13. Effects of Catechins and Their Related Compounds on Cellular Accumulation and Efflux Transport of Mitoxantrone in Caco-2 Cell Monolayers. (United States)

    Sugihara, Narumi; Kuroda, Norihiko; Watanabe, Fumiya; Choshi, Tominari; Kamishikiryo, Jun; Seo, Makoto


    The ability of catechins and their related compounds to inhibit breast cancer resistance protein (BCRP) function in Caco-2 cell monolayers was investigated with mitoxantrone as a BCRP substrate. The gallate or pyrogallol moiety on the catechin structure seemed to promote increased cellular accumulation and inhibit efflux transport of mitoxantrone. The ability of gallate catechins such as (-)-epigallocatechin gallate (EGCG) and (-)-epicatechin gallate (ECG) to increase cellular accumulation and inhibit efflux transport of mitoxantrone was greater than that of nongallate catechins. Gallic acid octyl ester (GAO) also increased intracellular mitoxantrone accumulation. Experiments using GAO derivatives indicated that the gallate moiety required the presence of a long carbon chain for BCRP inhibition. Cellular accumulation and reduced efflux transport of mitoxantrone were greater with epigallocatechin 3-(3″-O-butyl) gallate than with EGCG. EGCG inhibition of BCRP seemed to be restricted by hydrophobicity. The co-administration of catechins, particularly EGCG and related compounds, with greater hydrophobicity may increase the therapeutic activities of BCRP substrates such as mitoxantrone. © 2017 Institute of Food Technologists®.

  14. Impact of pre-harvest light spectral properties on health- and sensory-related compounds in broccoli florets. (United States)

    Steindal, Anne Linn Hykkerud; Johansen, Tor J; Bengtsson, Gunnar B; Hagen, Sidsel F; Mølmann, Jørgen A B


    Plants grown at different latitudes experience differences in light spectral composition. Broccoli (Brassica oleracea L. var italica) plants were grown in climate-controlled chambers under supplemental wavelengths (red, far-red, red + far-red or blue) from light-emitting diodes (LEDs). The light treatments were combined with two cold climate temperatures (12 and 15 °C) during broccoli head formation to investigate the effects on morphology and content of health- and sensory-related compounds: glucosinolates, flavonols, ascorbic acid and soluble sugars. Supplemental far-red and red + far-red light led to elongated plants and the lowest total glucosinolate content in broccoli florets. The content of quercetin was highest with supplemental red light. Vitamin C was not significantly affected by the light treatments, but 12 °C gave a higher content than 15 °C. The effects of supplemental red and far-red light suggest an involvement of phytochromes in the regulation of glucosinolates and flavonols. A shift in red:far-red ratio could cause changes in their content besides altering the morphology. The sugar and vitamin C content appears to be unaffected by these light conditions. Supplemental blue light had little effect on plant morphology and content of the health- and sensory related compounds. © 2015 Society of Chemical Industry.

  15. 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.


    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

  16. β-Thalassemia major resulting from compound heterozygosity for HBB: c.92+2T>C [formerly known as IVS-I-2 (T>C)] and a novel β(0)-thalassemia frameshift mutation: HBB: c.209delG; p.Gly70Valfs*20. (United States)

    Kluge, Michelle L; Hoyer, James D; Swanson, Kenneth C; Oliveira, Jennifer L


    A novel β(0)-thalassemia (β-thal) frameshift mutation, HBB: c.209delG; p.Gly70Valfs*20, is described in a 21-year-old African American female with β-thalassemia major (β-TM) due to compound heterozygosity for the β(0)-thal mutation HBB: c.92+2T>C [formerly known as IVS-I-2 (T>C)] and HBB: c.209delG. The combination of these mutations demonstrates a complete lack of β-globin chain synthesis, evidenced by the proband having no Hb A present.

  17. Changes in salivary microbiota increase volatile sulfur compounds production in healthy male subjects with academic-related chronic stress. (United States)

    Nani, Bruno Dias; Lima, Patricia Oliveira de; Marcondes, Fernanda Klein; Groppo, Francisco Carlos; Rolim, Gustavo Sattolo; Moraes, Antonio Bento Alves de; Cogo-Müller, Karina; Franz-Montan, Michelle


    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 stressed group (p stressed subjects.

  18. Measurement of phonon dispersion relation in negative thermal expansion compound ZrW2O8 (United States)

    Mittal, R.; Chaplot, S. L.; Pintschovius, L.; Achary, S. N.; Kowach, G. R.


    Isotropic negative thermal expansion (NTE) is found in cubic AX2O8(A = Zr, Hf: X=W, Mo) up to high temperatures (1050 K). Anharmonicity of low energy phonon modes plays an important role in leading to the NTE behaviour. Earlier we verified our predictions of large phonon softening for low energy phonons (below 8 meV) through high-pressure inelastic neutron scattering measurements on powder samples at ILL, France. Now we have measured the phonon dispersion relation from a single crystal of ZrW2O8. The measurements are useful to verify our prediction of highly anharmonic nature of specific phonon branches, in particular the transverse acoustic branch, and other branches up to 10 meV. These modes below 10 meV mainly contribute to the NTE in ZrW2O8.

  19. The roles of dopamine and related compounds in reward seeking behaviour across animal phyla

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    Andrew B Barron


    Full Text Available Motile animals actively seek out and gather resources they find rewarding, and this is an extremely powerful organiser and motivator of animal behaviour. Mammalian studies have revealed interconnected neurobiological systems for reward learning, reward assessment, reinforcement and reward seeking; all involving the biogenic amine dopamine. The neurobiology of reward-seeking behavioural systems is less well understood in invertebrates, but in many diverse invertebrate groups, reward learning and responses to food rewards also involve dopamine. The obvious exceptions are the arthropods in which the chemically related biogenic amine octopamine has a greater effect on reward learning and reinforcement than dopamine. Here we review the functions of these biogenic amines in behavioural responses to rewards in different animal groups, and discuss these findings in an evolutionary context.

  20. Biological and Pharmacological Activities of Squalene and Related Compounds: Potential Uses in Cosmetic Dermatology

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    Jia-You Fang


    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.

  1. Distributions of dimethylsulfide and its related compounds in the Yangtze (Changjiang) River Estuary and its adjacent waters in early summer (United States)

    Tan, Ting-Ting; Wu, Xi; Liu, Chun-Ying; Yang, Gui-Peng


    Dimethylsulfide (DMS) is an important and dominant sulfur compound that is transferred from the ocean to the atmosphere. In this study, the spatiotemporal variations in DMS concentrations and its two closely related compounds, namely, dimethylsulfoniopropionate (DMSP) and acrylic acid (AA), were investigated in the Yangtze (Changjiang) River Estuary and its adjacent waters, where the salinity changed dramatically in June 2014. The concentration ranges (average values) of DMS, DMSP, and AA were 1.10-27.5 (8.53), 5.93-195 (40.1), and 4.2-122.6 (17.9) nmol L-1 in the surface waters, respectively. The DMS and DMSP concentrations were higher in the study area than in its neighboring regions because of the high levels of nutrients originating in the Yangtze and Qiantang Rivers. However, the AA concentration was lower in the study area. Although no significant correlations were found between DMS, DMSP, or AA and salinity, high concentrations of DMS, AA, and DMSP were recorded between the salinity levels of 26‰ and 31‰. DMS and AA concentrations were positively correlated with chlorophyll a. The average AA/(DMSP+AA) and DMS/(DMSP+AA) ratios were 36.9% and 17.1%, respectively. The vertical profiles of DMSP and DMS presented similar variation patterns, and high concentrations of both compounds were mostly detected in the surface waters. By contrast, AA showed a different variation pattern compared with those of DMSP and DMS because AA could have other potential sources. The low average sea-to-air flux of DMS (that is, 6.55 μmol m-2 d-1) was mainly attributed to the low wind speed in early summer.

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

    Energy Technology Data Exchange (ETDEWEB)

    Li Zizhong [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); Liu Qian [Center for Drug Discovery, Northeastern University, Boston, MA 02115 (United States); Thotapally, Rajesh [Center for Drug Discovery, Northeastern University, Boston, MA 02115 (United States); Ding Yushin [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)]. E-mail:


    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.

  3. Interspecific variations in mangrove leaf litter decomposition are related to labile nitrogenous compounds (United States)

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


    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

  4. Influence of Sulfur for Oxygen Substitution in the Solvolytic Reactions of Chloroformate Esters and Related Compounds

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    Malcolm J. D'Souza


    Full Text Available The replacement of oxygen within a chloroformate ester (ROCOCl by sulfur can lead to a chlorothioformate (RSCOCl, a chlorothionoformate (ROCSCl, or a chlorodithioformate (RSCSCl. Phenyl chloroformate (PhOCOCl reacts over the full range of solvents usually included in Grunwald-Winstein equation studies of solvolysis by an addition-elimination (A-E pathway. At the other extreme, phenyl chlorodithioformate (PhSCSCl reacts across the range by an ionization pathway. The phenyl chlorothioformate (PhSCOCl and phenyl chlorothionoformate (PhOCSCl react at remarkably similar rates in a given solvent and there is a dichotomy of behavior with the A-E pathway favored in solvents such as ethanol-water and the ionization mechanism favored in aqueous solvents rich in fluoroalcohol. Alkyl esters behave similarly but with increased tendency to ionization as the alkyl group goes from 1° to 2° to 3°. N,N-Disubstituted carbamoyl halides favor the ionization pathway as do also the considerably faster reacting thiocarbamoyl chlorides. The tendency towards ionization increases as, within the three contributing structures of the resonance hybrid for the formed cation, the atoms carrying positive charge (other than the central carbon change from oxygen to sulfur to nitrogen, consistent with the relative stabilities of species with positive charge on these atoms.

  5. Antiinflammatory properties of a hydroperoxide compound, structurally related to acetylsalicylic acid. (United States)

    Killackey, J J; Killackey, B A; Cerskus, I; Philp, R B


    3-Hydroperoxy-3-methylphthalide (3-HMP), a structural analog of acetylsalicylic acid (ASA), was found to have some antiinflammatory properties which are distinct from those of ASA. 3-HMP inhibits human platelet aggregation and ATP release in response to low concentrations of collagen but is less effective than ASA. 3-HMP inhibits prostaglandin and thromboxane production from exogenous [14C]arachidonic acid by human platelet lysates in vitro and does so at lower concentrations than ASA (3-HMP IC50 = 10 microM; ASA IC50 = 50 microM). 3-HMP is also more effective than ASA as an inhibitor of prostacyclin-like activity production by rings of rabbit aorta. Human polymorphonuclear (PMN) leukocyte [14C]arachidonic acid metabolism is inhibited by 3-HMP but not ASA. In urethane-anesthetized rats, 3-HMP (10 mg/kg intravenously) is effective in inhibiting PMN leukocyte accumulation in response to intrapleural carrageenan administration whereas ASA is ineffective (100 mg/kg intravenously). This hydroperoxy analog of ASA has antiinflammatory activity which may result from a combination of the ASA-like and hydroperoxide-related pharmacological properties.

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


    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.

  7. Identification and Characterization of a Compound That Protects Cardiac Tissue from Human Ether-à-go-go-related Gene (hERG)-related Drug-induced Arrhythmias* (United States)

    Potet, Franck; Lorinc, Amanda N.; Chaigne, Sebastien; Hopkins, Corey R.; Venkataraman, Raghav; Stepanovic, Svetlana Z.; Lewis, L. Michelle; Days, Emily; Sidorov, Veniamin Y.; Engers, Darren W.; Zou, Beiyan; Afshartous, David; George, Alfred L.; Campbell, Courtney M.; Balser, Jeffrey R.; Li, Min; Baudenbacher, Franz J.; Lindsley, Craig W.; Weaver, C. David; Kupershmidt, Sabina


    The human Ether-à-go-go-related gene (hERG)-encoded K+ current, IKr is essential for cardiac repolarization but is also a source of cardiotoxicity because unintended hERG inhibition by diverse pharmaceuticals can cause arrhythmias and sudden cardiac death. We hypothesized that a small molecule that diminishes IKr block by a known hERG antagonist would constitute a first step toward preventing hERG-related arrhythmias and facilitating drug discovery. Using a high-throughput assay, we screened a library of compounds for agents that increase the IC70 of dofetilide, a well characterized hERG blocker. One compound, VU0405601, with the desired activity was further characterized. In isolated, Langendorff-perfused rabbit hearts, optical mapping revealed that dofetilide-induced arrhythmias were reduced after pretreatment with VU0405601. Patch clamp analysis in stable hERG-HEK cells showed effects on current amplitude, inactivation, and deactivation. VU0405601 increased the IC50 of dofetilide from 38.7 to 76.3 nm. VU0405601 mitigates the effects of hERG blockers from the extracellular aspect primarily by reducing inactivation, whereas most clinically relevant hERG inhibitors act at an inner pore site. Structure-activity relationships surrounding VU0405601 identified a 3-pyridiyl and a naphthyridine ring system as key structural components important for preventing hERG inhibition by multiple inhibitors. These findings indicate that small molecules can be designed to reduce the sensitivity of hERG to inhibitors. PMID:23033485

  8. Adapting current model with field data of related performance reference compounds in passive samplers to accurately monitor hydrophobic organic compounds in aqueous media. (United States)

    Temoka, Pokem; Pfister, Gerd; Henkelmann, Bernhard; Schramm, Karl-Werner


    Performance reference compounds (PRCs) are neutral organic compounds, introduced in a passive sampler prior deployment for the assessment of in situ sampling rate. In this study, evaluation of in situ sampling rates of 16 13C-PAH-PRCs with moderate and high hydrophobicity was established to provide an overall correction factor for variations in virtual organism (VO) uptake rates of the analytes of interest. In situ sampling rate was compared to an empirical model during sampling campaign in 2011 with VO in 12 different sites along the Three Gorges Reservoir (TGR) in China. A discrepancy was observed for high hydrophobic compounds with log K ow ranging from 5.18 to 6.63 where ΣPAH concentration in TGR from Huckins model (305,624 pg/L) was resulted to be roughly 2-fold higher than the alternative procedure (182,292 pg/L). A relationship between in situ sampling rates of the 16 13C-PAH-PRCs (Rs, PRC ) and log K ow was set up to allow then calculation of analyte sampling rate Rs analyte (N) of various organic pollutants with log K ow  ≤ 6.63.

  9. Bis(4-methylpiperidinium hexachloridostannate(IV

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    Madeleine Helliwell


    Full Text Available The crystal structure of the title compound, (C6H14N2[SnCl6], is built of 4-methylpiperidinium cations, occupying special positions on the mirror plane, and hexachloridostannate(IV anions on a special position of 2/m symmetry. The ions are linked via N—H...Cl hydrogen bonds into chains running along the b axis.

  10. Recueil des legislations linguistiques dans le monde. Tome IV: La principaute d'Andorre, l'Espagne et l'Italie (Record of World Language-Related Legislation. Volume IV: The Principality of Andorra, Spain, and Italy). (United States)

    Leclerc, Jacques, Ed.

    The volume is one of a series of six listing language-related legislation around the world. It contains the texts, in French, of laws of Andorra, Spain's central government, Spanish regions (Balearic Islands, Basque Provinces, Catalonia, and Valencia). Italy, and Italy's regions. The laws concern official languages, regional languages, language…

  11. The promoter of Rv0560c is induced by salicylate and structurally-related compounds in Mycobacterium tuberculosis.

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    Dorothée L Schuessler

    Full Text Available Mycobacterium tuberculosis, the causative agent of tuberculosis (TB, is a major global health threat. During infection, bacteria are believed to encounter adverse conditions such as iron depletion. Mycobacteria synthesize iron-sequestering mycobactins, which are essential for survival in the host, via the intermediate salicylate. Salicylate is a ubiquitous compound which is known to induce a mild antibiotic resistance phenotype. In M. tuberculosis salicylate highly induces the expression of Rv0560c, a putative methyltransferase. We identified and characterized the promoter and regulatory elements of Rv0560c. P(Rv0560c activity was highly inducible by salicylate in a dose-dependent manner. The induction kinetics of P(Rv0560c were slow, taking several days to reach maximal activity, which was sustained over several weeks. Promoter activity could also be induced by compounds structurally related to salicylate, such as aspirin or para-aminosalicylic acid, but not by benzoate, indicating that induction is specific to a structural motif. The -10 and -35 promoter elements were identified and residues involved in regulation of promoter activity were identified in close proximity to an inverted repeat spanning the -35 promoter element. We conclude that Rv0560c expression is controlled by a yet unknown repressor via a highly-inducible promoter.

  12. Toxicity of Zanthoxylum piperitum and Zanthoxylum armatum oil constituents and related compounds to Stomoxys calcitrans (Diptera: Muscidae). (United States)

    Hieu, Tran Trung; Kim, Soon-Il; Ahn, Young-Joon


    Zanthoxylum plants (Rutaceae) have drawn attention because they contain insecticidal principles against insects. An assessment was made of the insecticidal and acetylcholinesterase (AChE) inhibitory activities of Zanthoxylum piperitum steam distillate and Zanthoxylum armatum seed oil, their 28 constituents, and eight structurally related compounds against female stable fly, Stomoxys calcitrans (L.). Results were compared with those of two organophosphorus insecticides chlorpyrifos and dichlorvos. Potent fumigant toxicity was observed with cuminaldehyde, thymol, (1S)-(-)-verbenone, (-)-myrtenal, carvacrol, (S)-(Z)-verbenol, Zanthoxylum piperitum steam distillate, cuminyl alcohol, Zanthoxylum armatum seed oil, piperitone, (-)-(Z)-myrtanol, and citronellal (LC50, 0.075-0.456 microg/cm3). However, they were five orders of magnitude less toxic than either chlorpyrifos or dichlorvos. An in vitro bioassay using female fly heads indicates that strong AChE inhibition was produced by citronellyl acetate, alpha-pinene, thymol, carvacrol, and alpha-terpineol (1.20-2.73 mM), but no direct correlation between fly toxicity and AChE inhibition by the test compounds was observed. Structure-activity relationships indicate that structural characteristics, such as carbon skeleton, degrees of saturation and types of functional groups, and vapor pressure parameter, appear to play a role in determining toxicities of the test monoterpenoids to stable flies. Global efforts to reduce the level of highly toxic synthetic insecticides in the agricultural environment justify further studies on Z. piperitum and Z. armatum oil-derived materials as potential insecticides for the control of stable fly populations.

  13. A low frequency assignment for infrared and Raman spectra of (-)-isobornyl acetate using related compounds and deuterated derivatives (United States)

    Kim, S. B.; Hammaker, R. M.; Fateley, W. G.

    Nineteen fundamentals of (-)-isobornyl acetate and seven deuterium substituted modifications (2- d1;3,3- d2;2,3,3- d3; acetate- d3; 2- d1, acetate- d3; 3,3- d2 acetate- d3; 2,3,3- d3 acetate- d3) have been assigned between 200 and 900 cm -1. These fundamentals are: skeletal vibrations of the quaternary carbons, ring breathing and bending vibrations, and vibrations of the acetate group. Key model compounds used in this analysis are norbornane, neopentane, methyl acetate and cyclopentanol. A series of related compounds (norbornane, bornane, exo-norbornyl acetate, 1-methyl-exo-norbornyl acetate, apoisobornyl acetate and (-)-isobornyl acetate) is used to identify frequencies associated with the quaternary carbon and the acetate group. Raman spectra are more useful for the quaternary carbon frequencies and i.r. spectra are more useful for acetate group frequencies. Quaternary carbon skeletal stretching frequencies and ring breathing frequencies are responsible for prominent Raman bands between 580 and 670 cm -1 and between 780 and 940 cm -1, respectively.

  14. The faster internal clock in ADHD is related to lower processing speed: WISC-IV profile analyses and time estimation tasks facilitate the distinction between real ADHD and pseudo-ADHD. (United States)

    Walg, Marco; Hapfelmeier, Gerhard; El-Wahsch, Daniel; Prior, Helmut


    Alterations in temporal processing may represent a primary cause of key symptoms in ADHD. This study is aimed at investigating the nature of time-processing alterations in ADHD and assessing the possible utility of testing time estimation for clinical diagnostics. Retrospective verbal time estimation in the range of several minutes was examined in 50 boys with ADHD and 53 boys with other mental disorders. All participants (age 7-16) attended an outpatient clinic for ADHD diagnostics. The diagnostic assessment included the WISC-IV. Subjects with ADHD made longer and less accurate duration estimates than the clinical control group. The ADHD group showed a specific WISC-IV profile with processing speed deficits. In the ADHD group there was a correlation between processing speed and quality of time estimation that was not observed in the comparison group: higher processing speed indices were related to more accurate duration estimates. The findings provide support for the presence of a faster internal clock in subjects with ADHD and lend further support to the existence of a specific WISC-IV profile in subjects with ADHD. The results show that analyzing WISC-IV profiles and time estimation tasks are useful differential diagnosis tools, particularly when it comes to distinguishing between "real ADHD" and pseudo-ADHD.

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

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    P. Matyus


    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.

  16. Tandem Extraction/Liquid Chromatography-Mass Spectrometry Protocol for the Analysis of Acrylamide and Surfactant-related Compounds in Complex Aqueous Environmental Samples (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.

  17. A low frequency assignment for infrared and Raman spectra of (+)-bornyl acetate using related compounds and deuterated derivatives (United States)

    Kim, S. B.; Hammaker, R. M.; Fateley, W. G.

    Twenty-one fundamentals of (+)-bornyl acetate and nine deuterium substituted modifications (2- d1; 3,3- d2; 2,3,3- d3; acetate- d3; 2- d1 acetate- d3; 3,3- d2 acetate- d3; 2,3,3- d3 acetate- d3; 10- d1; 10,10,10- d3) as well as (-)-isobornyl-1-10,10.10- d3 acetate have been assigned between 200 and 850cm -1. These results supplement the previous assignment of nineteen fundamentals of (-)-isobornyl acetate and seven deuterium substituted modifications (2- d1,; 3,3- d2; 2,3,3- d3; acetate- d3; 2- d1 acetate- d3; 3,3- d2 acetate- d3; 2,3,3- d3 acetate- d3) between 200 and 900cm -1 [8]. These fundamentals are: skeletal vibrations of the quaternary carbons, ring breathing, bending, and twisting vibrations, and vibrations of the acetate group. Key model compounds used in this analysis are norbornane, neopentane, methyl acetate, cyclopentanol, and the (-)-isobornyl acetate system. A series of related compounds (norbornane, bornane, endo-norbomyl acetate, 1-methyl-endo-norbornyl acetate, apobornyl acetate, and (+)-bornyl acetate) is used to identify frequencies associated with the quaternary carbon and the acetate group. Raman spectra are more useful for the quaternary carbon frequencies and i.r. spectra are more useful for acetate group frequencies. Four exo stereoisomer alcohols (1-methyl-exo-norborneol, 1-methy d3-exonorborneoI, apoisoborneol, (-)-isoborneol) and three endo stereoisomer alcohols (1-methyl-endo-norborneol, apoborneol, (+)-borneol) serve as model compounds for a modification of the earlier assignment [8] for the skeletal stretching of the quaternary carbons in the (-)-isobornyl acetate system and extension of this modified assignment to the (+)-bornyl acetate system. Quaternary carbon symmetric skeletal stretching is believed to be responsible for prominent Raman bands between 580 and 680cm -1 in the 36 bicyclic ring compounds investigated to date. Fermi resonance is proposed as the explanation for a number of unexpected intensity patterns observed in the

  18. Studies of the Atmospheric Chemsitry of Energy-Related Volatile Organic Compounds and of their Atmospheric Reaction Products

    Energy Technology Data Exchange (ETDEWEB)

    Roger Atkinson; Janet Arey


    The focus of this contract was to investigate selected aspects of the atmospheric chemistry of volatile organic compounds (VOCs) emitted into the atmosphere from energy-related sources as well as from biogenic sources. The classes of VOCs studied were polycyclic aromatic hydrocarbons (PAHs) and nitro-PAHs, the biogenic VOCs isoprene, 2-methyl-3-buten-2-ol and cis-3-hexen-1-ol, alkenes (including alkenes emitted from vegetation) and their oxygenated atmospheric reaction products, and a series of oxygenated carbonyl and hydroxycarbonyl compounds formed as atmospheric reaction products of aromatic hydrocarbons and other VOCs. Large volume reaction chambers were used to investigate the kinetics and/or products of photolysis and of the gas-phase reactions of these organic compounds with hydroxyl (OH) radicals, nitrate (NO3) radicals, and ozone (O3), using an array of analytical instrumentation to analyze the reactants and products (including gas chromatography, in situ Fourier transform infrared spectroscopy, and direct air sampling atmospheric pressure ionization tandem mass spectrometry). The following studies were carried out. The photolysis rates of 1- and 2-nitronaphthalene and of eleven isomeric methylnitronaphthalenes were measured indoors using blacklamp irradiation and outdoors using natural sunlight. Rate constants were measured for the gas-phase reactions of OH radicals, Cl atoms and NO3 radicals with naphthalene, 1- and 2-methylnaphthalene, 1- and 2-ethylnaphthalene and the ten dimethylnaphthalene isomers. Rate constants were measured for the gas-phase reactions of OH radicals with four unsaturated carbonyls and with a series of hydroxyaldehydes formed as atmospheric reaction products of other VOCs, and for the gas-phase reactions of O3 with a series of cycloalkenes. Products of the gas-phase reactions of OH radicals and O3 with a series of biogenically emitted VOCs were identified and quantified. Ambient atmospheric measurements of the concentrations of a

  19. The Pulmonary Surfactant: Impact of Tobacco Smoke and Related Compounds on Surfactant and Lung Development

    Directory of Open Access Journals (Sweden)

    Scott J Elliott


    Full Text Available Abstract Cigarette smoking, one of the most pervasive habits in society, presents many well established health risks. While lung cancer is probably the most common and well documented disease associated with tobacco exposure, it is becoming clear from recent research that many other diseases are causally related to smoking. Whether from direct smoking or inhaling environmental tobacco smoke (ETS, termed secondhand smoke, the cells of the respiratory tissues and the lining pulmonary surfactant are the first body tissues to be directly exposed to the many thousands of toxic chemicals in tobacco. Considering the vast surface area of the lung and the extreme attenuation of the blood-air barrier, it is not surprising that this organ is the primary route for exposure, not just to smoke but to most environmental contaminants. Recent research has shown that the pulmonary surfactant, a complex mixture of phospholipids and proteins, is the first site of defense against particulates or gas components of smoke. However, it is not clear what effect smoke has on the surfactant. Most studies have demonstrated that smoking reduces bronchoalveolar lavage phospholipid levels. Some components of smoke also appear to have a direct detergent-like effect on the surfactant while others appear to alter cycling or secretion. Ultimately these effects are reflected in changes in the dynamics of the surfactant system and, clinically in changes in lung mechanics. Similarly, exposure of the developing fetal lung through maternal smoking results in postnatal alterations in lung mechanics and higher incidents of wheezing and coughing. Direct exposure of developing lung to nicotine induces changes suggestive of fetal stress. Furthermore, identification of nicotinic receptors in fetal lung airways and corresponding increases in airway connective tissue support a possible involvement of nicotine in postnatal asthma development. Finally, at the level of the alveoli of the lung

  20. Catalase vs peroxidase activity of a manganese(II) compound: identification of a Mn(III)-(mu-O)(2)-Mn(IV) reaction intermediate by electrospray ionization mass spectrometry and electron paramagnetic resonance spectroscopy. (United States)

    Lessa, Josane A; Horn, Adolfo; Bull, Erika S; Rocha, Michelle R; Benassi, Mario; Catharino, Rodrigo R; Eberlin, Marcos N; Casellato, Annelise; Noble, Christoper J; Hanson, Graeme R; Schenk, Gerhard; Silva, Giselle C; Antunes, O A C; Fernandes, Christiane


    Herein, we report reactivity studies of the mononuclear water-soluble complex [Mn(II)(HPClNOL)(eta(1)-NO(3))(eta(2)-NO(3))] 1, where HPClNOL = 1-(bis-pyridin-2-ylmethyl-amino)-3-chloropropan-2-ol, toward peroxides (H(2)O(2) and tert-butylhydroperoxide). Both the catalase (in aqueous solution) and peroxidase (in CH(3)CN) activities of 1 were evaluated using a range of techniques including electronic absorption spectroscopy, volumetry (kinetic studies), pH monitoring during H(2)O(2) disproportionation, electron paramagnetic resonance (EPR), electrospray ionization mass spectrometry in the positive ion mode [ESI(+)-MS], and gas chromatography (GC). Electrochemical studies showed that 1 can be oxidized to Mn(III) and Mn(IV). The catalase-like activity of 1 was evaluated with and without pH control. The results show that the pH decreases when the reaction is performed in unbuffered media. Furthermore, the activity of 1 is greater in buffered than in unbuffered media, demonstrating that pH influences the activity of 1 toward H(2)O(2). For the reaction of 1 with H(2)O(2), EPR and ESI(+)-MS have led to the identification of the intermediate [Mn(III)Mn(IV)(mu-O)(2)(PClNOL)(2)](+). The peroxidase activity of 1 was also evaluated by monitoring cyclohexane oxidation, using H(2)O(2) or tert-butylhydroperoxide as the terminal oxidants. Low yields (<7%) were obtained for H(2)O(2), probably because it competes with 1 for the catalase-like activity. In contrast, using tert-butylhydroperoxide, up to 29% of cyclohexane conversion was obtained. A mechanistic model for the catalase activity of 1 that incorporates the observed lag phase in O(2) production, the pH variation, and the formation of a Mn(III)-(mu-O)(2)-Mn(IV) intermediate is proposed.

  1. Reactivity and Biological Activity of the Marine Sesquiterpene Hydroquinone Avarol and Related Compounds from Sponges of the Order Dictyoceratida

    Directory of Open Access Journals (Sweden)

    Miroslav J. Gasic


    Full Text Available A review of results of bioactivity and reactivity examinations of marine sesquiterpene (hydroquinones is presented. The article is focused mostly on friedo- rearranged drimane structural types, isolated from sponges of the order Dictyoceratida. Examples of structural correlations are outlined. Available results on the mechanism of redox processes and examinations of chemo- and regioselectivity in addition reactions are presented and, where possible, analyzed in relation to established bioactivities. Most of the bioactivity examinations are concerned with antitumor activities and the mechanism thereof, such as DNA damage, arylation of nucleophiles, tubulin assembly inhibition, protein kinase inhibition, inhibition of the arachidonic cascade, etc. Perspectives on marine drug development are discussed with respect to biotechnological methods and synthesis. Examples of the recognition of validated core structures and synthesis of structurally simplified compounds retaining modes of activity are analyzed.

  2. Exploring the structural requirements for jasmonates and related compounds as novel plant growth regulators: a current computational perspective. (United States)

    Chen, Ke-Xian; Li, Zu-Guang


    Jasmonates and related compounds have been highlighted recently in the field of plant physiology and plant molecular biology due to their significant regulatory roles in the signaling pathway for the diverse aspects of plant development and survival. Though a considerable amount of studies concerning their biological effects in different plants have been widely reported, the molecular details of the signaling mechanism are still poorly understood. This review sheds new light on the structural requirements for the bioactivity/property of jasmonic acid derivatives in current computational perspective, which differs from previous research that mainly focus on their biological evaluation, gene and metabolic regulation and the enzymes in their biosynthesis. The computational results may contribute to further understanding the mechanism of drug-receptor interactions in their signaling pathway and designing novel plant growth regulators as high effective ecological pesticides.

  3. Oxochloroalkoxide of the Cerium (IV and Titanium (IV as oxides precursor

    Directory of Open Access Journals (Sweden)

    Machado Luiz Carlos


    Full Text Available The Cerium (IV and Titanium (IV oxides mixture (CeO2-3TiO2 was prepared by thermal treatment of the oxochloroisopropoxide of Cerium (IV and Titanium (IV. The chemical route utilizing the Cerium (III chloride alcoholic complex and Titanium (IV isopropoxide is presented. The compound Ce5Ti15Cl16O30 (iOPr4(OH-Et15 was characterized by elemental analysis, FTIR and TG/DTG. The X-ray diffraction patterns of the oxides resulting from the thermal decomposition of the precursor at 1000 degreesC for 36 h indicated the formation of cubic cerianite (a = 5.417Å and tetragonal rutile (a = 4.592Å and (c = 2.962 Å, with apparent crystallite sizes around 38 and 55nm, respectively.

  4. The classical photoactivated drug 8-methoxypsoralen and related compounds are effective without UV light irradiation against glioma cells. (United States)

    de Oliveira, Diêgo Madureira; Ferreira Lima, Rute Maria; Clarencio, Jorge; Velozo, Eudes da Silva; de Amorim, Ilza Alves; Andrade da Mota, Tales Henrique; Costa, Silvia Lima; Silva, Fábio Pittella; El-Bachá, Ramon Dos Santos


    Currently, there is no effective therapy for high grade gliomas. 8-Methoxypsoralen (8-MOP) is a compound used in the treatment of skin diseases combined with UV light irradiation. In this work, rat glioma C6 cells, normal astrocytes and human glioblastoma GL-15 cells comprised an in vitro model to evaluate the antitumor activity of 8-MOP. We found that 8-MOP promoted a time- and concentration-dependent reduction of cell viability in tumor, but not in normal cells. This effect was more evident in log-phase growing culture, indicating antiproliferative activity, which was confirmed by colony formation assay. Long-term effect of 8-MOP at low concentration was also attested. The concentrations used in the tests (0.02-0.4 mM) were lower than plasmatic concentration found in patients. Despite the treatment leads to considerable morphological changes and apoptosis when used at high concentrations, 8-MOP did not promote cell cycle arrest, change in migration pattern neither necrosis. In addition, we evaluated the effect of 8-MOP in MDA-MB-231, CT-26 and SCC-3 cell lines, derived from other kind of primary tumors, and found that CT-26 cells did not respond to 8-MOP treatment, indicating that this compound does not act through a generic mechanism. Coumarin derivatives structurally related to 8-MOP were screened for its antitumor potential and presented different patterns of biological activity, and then it was possible to suggest the relevance of 8-MOP molecular structure for antiproliferative action. Therefore, 8-MOP, a drug with an outstanding record of safety, and related coumarins are good prototypes for development of a new class of anti-glioma drugs. Copyright © 2016 Elsevier Ltd. All rights reserved.

  5. Big River Reservoir Project - Pawcatuck River and Narragansett bay Drainage Basins - Water and related Land Resources Study Volume IV. Attachment I. (United States)


    to that area. The- tunnel ,i i . ,.y to prowJ . .elief ard v i w a I cannot condone i .L - t.i , iv,,,rsely affect the residents of Greenwood livi...stores), 488 apartments of the Del Rio Coro:-. Bulova Company,Ciba-Geigy Chemical, and in two industrial p;aks; ,’Jie of real property exceeds a low of 90...effects on fish larvae. This section does not consider future usos nr- 1 changing needs of society with respect to managing coastal zone areas. A e iasion

  6. Resistência de soja a insetos: IV. Comportamento de cultivares e linhagens em relação a Hedilepta indicata (Fabr. Resistance of soybean to insects: IV. Performance of cultivars and lines in relation to Hedilepta indicata (Fabr.

    Directory of Open Access Journals (Sweden)

    André Luiz Lourenção


    Full Text Available Em condições de campo e de telado, estudou-se o comportamento das seguintes linhagens e cultivares de soja em relação à lagarta-enroladeira, Hedilepta indicata (Fabr., 1775: PI 227687, IAC 73-228, IAC 79-1823, 'Santa Rosa', IAC 80-596-2, 'IAC 12', 'IAC 8', IAC 78-2318, D 72-9601-1, PI 171451, 'IAC São Carlos' e PI 229358, quanto ao número de pontos de ataque do inseto. Tanto no campo como em telado, IAC 73-228 e PI 229358 apresentaram, respectivamente, o menor e o maior valor. Em condições de campo, PI 227687 e IAC 73-228 sofreram as menores perdas de área foliar devidas ao ataque de H. indicata, enquanto 'IAC São Carlos', PI 171451 e PI 229358 se mostraram como os mais suscetíveis. Em outro experimento conduzido em campo, utilizando-se PI 274454, PI 274453, IAC 73-228, 'IAC 12', IAC 80-596-2, 'UFV-1', IAC 78-2318 e 'Paraná', os dois primeiros apresentaram alto nível de resistência ao inseto, superior ao exibido por IAC 73-228, sendo que 'Paraná' teve a maior perda de área foliar. Ainda em condições de campo, em área de seleção de plantas F2 descendentes do cruzamento de 'Paraná' com PI 274453, foram avaliadas, individualmente, plantas quanto à área foliar comida: os resultados obtidos sugerem que a resistência da PI 274453 a H. indicata seja devida a um gene dominante.Performance of soybean cultivars and lines in relation to H. indicata was studied under field and screen house conditions. Differences in the number of points of attack (characterized by the rolling or junction of the folioles by means of silk secretion were evaluated in PI 227687, IAC 73-228, IAC 79-1823, 'Santa Rosa', IAC 80-596-2, 'IAC 12', 'IAC 8', IAC 78-2318, D 72-9601-1, PI 171451, 'IAC São Carlos' and PI 229358; in both, field and screen house conditions, IAC 73-228 and PI 229358 showed, respectively, the lowest and the highest values. In the field, PI 227687 and IAC 73-228 presented low defoliation, while 'IAC São Carlos', PI 171451 and PI

  7. The Chemistry of MoS2 and Related Compounds and Their Applications in Electrocatalysis and Photoelectrochemistry (United States)

    Ding, Qi

    The increasing energy demand in our society has stimulated intensive research in the development of sustainable and renewable energy sources to lessen our strong dependence on fossil fuels. Hydrogen is a clean, storable, and high-energy density energy carrier, and is a promising sustainable solution to achieve an environmentally friendly fuel economy. Electrochemical and solar-driven photoelectrochemical water splitting is regarded as one of the most promising approaches to utilize renewable energy to product hydrogen fuel, yet Pt remains the best electrocatalyst for hydrogen evolution reaction (HER), the high cost of which ultimately limit the scalability of such technologies. Layered transition metal dichalcogenides (TMDCs) is a family of compounds that has attracted widespread attention due to their broad range of applications in electronics, optoelectronics, sensing, energy storage, and catalysis. My research has primarily focused on understanding the chemistry of MoS2 and related compounds, and developing rational approaches to enable these materials for efficient electrocatalytic and photoelectrochemical (PEC) hydrogen evolution. We demonstrated highly efficient and robust photocathodes based on heterostructures of chemically exfoliated metallic 1T-MoS2 and planar p-type Si for PEC-HER. Photocurrents up to 17.6 mA/cm2 at 0 V vs reversible hydrogen electrode (RHE) were achieved under simulated 1 sun irradiation, and excellent stability was demonstrated over long-term operation. Building upon the 1T-MoS2 groundwork, amorphous ternary compounds MoQxCly (Q = S, Se) were then developed as excellent catalysts for HER. The preparation of MoQxCly requires much lower temperature and easier fabrication, yet the PEC performance of MoSxCly-based photocathode is even better than 1T-MoS2-based photocathode. Moreover, when MoSxCly is incorporated with n+pp+ Si micropyramids (MPs), we demonstrate the highest current density ever reported for Si-based photocathodes

  8. Determination of catecholamines and endogenous related compounds in rat brain tissue exploring their native fluorescence and liquid chromatography. (United States)

    Fonseca, Beatriz M; Rodrigues, Márcio; Cristóvão, Ana C; Gonçalves, Daniela; Fortuna, Ana; Bernardino, Liliana; Falcão, Amílcar; Alves, Gilberto


    The profiling analysis of catecholamines and their metabolites in brain tissue offers a crucial key to understand their functions in the body and the opportunity to follow up neural diseases. A rapid and simple liquid chromatography-fluorescence detection (LC-FLD) method was developed and validated for simultaneously measuring several catecholamines and endogenous related compounds in the rat brain tissue samples. The target analytes measured in this bioanalytical assay were levodopa (L-DOPA), dopamine (DA), norepinephrine (NE), epinephrine (E), 3-O-methyldopa (3-O-MD), and homovanillic acid (HVA), being the 3,4-dihydroxybenzylamine (DHBA) used as internal standard (IS). The six analytes (L-DOPA, DA, NE, E, 3-O-MD and HVA) can be determined in a single chromatographic run of less than 12min, and all the compounds (analytes and IS) were detected using their native fluorescence and monitored at excitation/emission wavelengths of 279nm/320nm, respectively. The chromatographic and detection conditions were experimentally optimized and then several validation parameters (linearity, limits of quantification and detection, precision and accuracy, recovery, stability and selectivity) were examined. In accordance with the international guidelines of the Food and Drug Administration and European Medicines Agency the method described herein exhibited limits of quantification in the range of 2-25ngmL -1 , linearity in wide concentration ranges (r 2 ≥0.994), and acceptable precision (coefficient variation ≤8.76%) and accuracy (bias ±14.65%) levels. Since the bioanalytical procedure does not involve pre-purification or derivatization of the sample, the absolute recovery was found to be around 100%. Moreover, the developed LC-FLD method was successfully applied for the determination of the compounds of interest in tissue samples of different rat brain regions (cerebellum, amygdala, cortex, hippocampus, striatum, mesencephalon, medulla oblongata, substantia nigra and ventral

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

    Directory of Open Access Journals (Sweden)

    Pastorino Fabio


    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.

  10. Age-related commonalities and differences in the relationship between executive functions and intelligence: Analysis of the NAB executive functions module and WAIS-IV scores. (United States)

    Buczylowska, Dorota; Petermann, Franz


    Data from five subtests of the Executive Functions Module of the German Neuropsychological Assessment Battery (NAB) and all ten core subtests of the German Wechsler Adult Intelligence Scale - Fourth Edition (WAIS-IV) were used to examine the relationship between executive functions and intelligence in a comparison of two age groups: individuals aged 18-59 years and individuals aged 60-88 years. The NAB subtests Categories and Word Generation demonstrated a consistent correlation pattern for both age groups. However, the NAB Judgment subtest correlated more strongly with three WAIS-IV indices, the Full Scale IQ (FSIQ), and the General Ability Index (GAI) in the older adult group than in the younger group. Additionally, in the 60-88 age group, the Executive Functions Index (EFI) was more strongly correlated with the Verbal Comprehension Index (VCI) than with the Perceptual Reasoning Index (PRI). Both age groups demonstrated a strong association of the EFI with the FSIQ and the Working Memory Index (WMI). The results imply the potential diagnostic utility of the Judgment subtest and a significant relationship between executive functioning and crystallized intelligence at older ages. Furthermore, it may be concluded that there is a considerable age-independent overlap between the EFI and general intelligence, as well as between the EFI and working memory.

  11. Eicosanoids and Related Compounds in Plants and Animals (Edited by A. F. Rowley, H. Kuhn, and T. Schewe) (United States)

    Minderhout, Reviewed By Vicky


    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

  12. A novel device based on a fluorescent cross-responsive sensor array for detecting lung cancer related volatile organic compounds (United States)

    Lei, Jin-can; Hou, Chang-jun; Huo, Dan-qun; Luo, Xiao-gang; Bao, Ming-ze; Li, Xian; Yang, Mei; Fa, Huan-bao


    In this paper, a novel, simple, rapid, and low-cost detection device for lung cancer related Volatile Organic Compounds (VOCs) was constructed. For this task, a sensor array based on cross-responsive mechanism was designed. A special gas chamber was made to insure sensor array exposed to VOCs sufficiently and evenly, and FLUENT software was used to simulate the performance of the gas chamber. The data collection and processing system was used to detect fluorescent changes of the sensor arrays before and after reaction, and to extract unique patterns of the tested VOCs. Four selected VOCs, p-xylene, styrene, isoprene, and hexanal, were detected by the proposed device. Unsupervised pattern recognition methods, hierarchical cluster analysis and principal component analysis, were used to analyze data. The results showed that the methods could 100% discriminate the four VOCs. What is more, combined with artificial neural network, the correct rate of quantitative detection was up to 100%, and the device obtained responses at concentrations below 50 ppb. In conclusion, the proposed detection device showed excellent selectivity and discrimination ability for the VOCs related to lung cancer. Furthermore, our preliminary study demonstrated that the proposed detection device has brilliant potential application for early clinical diagnosis of lung cancer.

  13. Occurrence of selected trace elements and organic compounds and their relation to land use in the Willamette River basin, Oregon, 1992-94 (United States)

    Anderson, Chauncey W.; Rinella, Frank A.; Rounds, Stewart A.


    Between 1992 and 1994, the U.S.Geological Survey conducted a study of trace elements and organic compounds in the Willamette River Basin, Oregon, as part of the Willamette River Basin Water Quality Study. Low-level analyses were performed for trace elements, volatile organic compounds, organochlorine compounds, and pesticides. Overall, 94 water samples were collected from 40 sites, during predominantly high-flow conditions, representing urban, agricultural, mixed, and forested land uses. Although most observed concentrations were relatively low, some exceedances of water-quality criteria for acute and chronic toxicity and for the protection of human health were observed.

  14. An abnormal relation between basal prolactin levels and prolactin response to 12.5 microg TRH i.v. in drug-naïve patients with first-episode schizophrenia. (United States)

    Spoov, Johan; Bredbacka, Per-Erik; Stenman, Ulf-Håkan


    At doses lower than those needed to stimulate prolactin release directly, TRH almost completely antagonizes the inhibitory effect of dopamine on prolactin release. We have previously reported that prolactin response to administration of 12.5 microg TRH i.v. correlates with prolactin response to 0.5 mg i.m. haloperidol and negatively with 24-h urinary excretion of HVA in normal subjects, suggesting that the response reflects dopamine activity. An association between central dopamine hyperactivity and SANS scores relating to poverty of content of speech and inattention has been suggested by studies utilizing methylphenidate administration in patients with first-episode schizophrenia. The hypothesis that small plasma prolactin responses to administration of 12.5 microg TRH i.v. (Delta prolactin) correlate with SANS scores for these symptoms was tested in 19 drug-naïve patients with first-episode schizophrenia. Significant negative correlations were found between the response and scores relating to poverty of content of speech (r = - 0.55, p = 0.014) and inattention (r = - 0.52, p = 0.022), supporting the hypothesis of increased dopamine activity in association with disorganization symptoms. A significant positive correlation between basal prolactin levels and prolactin response to stimulation by 12.5 microg TRH was also found (r = + 0.61, p = 0.0058). Our previous study in normal subjects found a similar positive correlation between basal prolactin levels and prolactin response to stimulation by 200 microg TRH i.v., but not by 12.5 microg TRH i.v. As far as we know, this is the first study to report an abnormality in TRH-induced prolactin release in acute schizophrenia.

  15. Isolation, structure, and properties of quinone-aci tautomer of a phenol-nitro compound related to eugenoxyacetic acid (United States)

    Dinh, Nguyen Huu; Huan, Trinh Thi; Toan, Duong Ngoc; Kimpende, Peter Mangwala; Meervelt, Luc Van


    Treatment with excess nitric acid in acetic acid revealed that eugenoxyacetic acid underwent an unexpected ether cleavage, a normal nitration, and then an unexpected electrophilic addition to the double bond of the side chain that led to the formation of a dinitro compound which subsequently converted to a sensitive, reactive quinone-aci compound. The structure of the quinone-aci compound ( 1) and its derivatives ( 2- 6) was established by 1D- , 2D NMR, MS spectra, and chemical methods. In addition, the XRD structure of compound 2 derived from 1 was established. A double tautomerization of 1 in solution was studied by the LC-UV-MS method.

  16. NNDSS - Table IV. Tuberculosis (United States)

    U.S. Department of Health & Human Services — NNDSS - Table IV. Tuberculosis - 2014.This Table includes total number of cases reported in the United States, by region and by states, in accordance with the...

  17. NNDSS - Table IV. Tuberculosis (United States)

    U.S. Department of Health & Human Services — NNDSS - Table IV. Tuberculosis - 2015.This Table includes total number of cases reported in the United States, by region and by states, in accordance with the...

  18. NNDSS - Table IV. Tuberculosis (United States)

    U.S. Department of Health & Human Services — NNDSS - Table IV. Tuberculosis - 2016.This Table includes total number of cases reported in the United States, by region and by states, in accordance with the...

  19. II-VI semiconductor compounds

    CERN Document Server


    For condensed matter physicists and electronic engineers, this volume deals with aspects of II-VI semiconductor compounds. Areas covered include devices and applications of II-VI compounds; Co-based II-IV semi-magnetic semiconductors; and electronic structure of strained II-VI superlattices.

  20. Governing processes for reactive nitrogen compounds in the atmosphere in relation to ecosystem climatic and human health impacts

    NARCIS (Netherlands)

    Hertel, O.; Skjøth, C.A.; Reis, S.; Bleeker, A.; Harrison, R.; Cape, J.N.; Fowler, D.; Skiba, U.; Simpson, D.; Jickells, T.; Kulmala, M.; Gyldenærne, S.; Sørensen, L.L.; Erisman, J.W.; Sutton, M.A.


    Reactive nitrogen (Nr) compounds have different fates in the atmosphere due to differences in governing processes of physical transport, deposition and chemical transformation. Nr compounds addressed here include reduced nitrogen (NHx: ammonia (NH3) and its reaction product ammonium (NH4+)),

  1. Recent advances in the direct and indirect liquid chromatographic enantioseparation of amino acids and related compounds: a review. (United States)

    Ilisz, István; Aranyi, Anita; Pataj, Zoltán; Péter, Antal


    Amino acids are essential for life, and have many functions in metabolism. One particularly important function is to serve as the building blocks of peptides and proteins, giving rise to complex three dimensional structures through disulfide bonds or crosslinked amino acids. Peptides are frequently cyclic and contain protein as well as non-protein aminoacids in many instances. Since most of the proteinogenic α-amino acids contain a chiral carbon atom (with the exception of glycine), the stereoisomers of all these amino acids and the peptides in which they are to be found may possess differences in biological activity in living systems. The impetus for advances in chiral separation has been highest in the past decade and this still continues to be an area of high focus. The important analytical task of the separation of isomers is achieved mainly by chromatographic methods. This review surveys indirect and direct HPLC separations of biologically and pharmaceutically important enantiomers of amino acids and related compounds, with emphasis on the literature published from 2005. Copyright © 2012 Elsevier B.V. All rights reserved.

  2. Effect of modified atmosphere packaging and temperature abuse on flavor related volatile compounds of rocket leaves (Diplotaxis tenuifoliaL.). (United States)

    Mastrandrea, Leonarda; Amodio, Maria Luisa; Pati, Sandra; Colelli, Giancarlo


    The effect of storage conditions on flavor-related volatile composition of wild rocket ( Diplotaxis tenuifolia ) was investigated on Modified Atmosphere packed (MAP) leaves stored under isothermal and non-isothermal conditions. In a first experiment the effect of MAP was compared to the storage in air at 5 °C; a second experiment aimed to study the effect of non isothermal conditions, with two temperature abuses (at 13 °C for 24 h) during a 5 °C. Twenty-four volatiles were detected, including C6, C5, isothiocyanate, lipid-derived and sulfur compounds. In the first experiment, MAP-stored rocket showed a slower loss of typical flavour volatiles (thiocyanates and isothiocyanates) and a slower production of off-flavors until 6 days of storage, compared to leaves stored in air. After this time, dimethyl sulfide and acetaldehyde dramatically increased in MAP-stored rocket samples. In the second experiment, samples stored under non-isothermal conditions showed lower O 2 and higher CO 2 concentrations than samples stored under isothermal conditions. Rocket leaves stored under non-isothermal conditions showed an increased production of volatiles responsible of off-flavors (acetaldehyde and dimethyl sulfide) following temperature abuse comparing to storage in isothermal condition. Thus, dimethyl sulfide and acetaldehyde could be effective markers for tracking the effect of temperature fluctuations on rocket during storage.

  3. Metabolism of myricetin and related compounds in the rat. Metabolite formation in vivo and by the intestinal microflora in vitro. (United States)

    Griffiths, L A; Smith, G E


    1. The metabolism of a group of polyphenols related in structure to myricetin (3,5,7,3',4',5'-hexahydroxyflavone), including myricetin, myricitrin, 3,4,5-trihydroxyphenylacetic acid, delphinidin, robinetin, tricetin, tricin, malvin and 5,7-dihydroxy-3',4',5'-trimethoxyflavone, has been studied both in vivo after oral administration to the rat and in vitro in cultures of micro-organisms derived from the intestine of the rat. 2. It was shown that the rat intestinal microflora are able to degrade compounds of this group to the ring-fission products observed in urine after oral administration of the specific flavonoid. 3. All flavones and flavonols possessing free 5- and 7-hydroxyl groups in the A ring and a free 4'-hydroxyl group in the B ring gave rise to ring-fission products that included 3',5'-dihydroxyphenylacyl derivatives. 4. The metabolites 3,5-dihydroxyphenylacetic acid, 3-hydroxyphenylacetic acid, 3,5-dihydroxyphenylpropionic acid and 3-hydroxyphenylpropionic acid were isolated and identified by chromatographic and spectral methods. 5. On anaerobic incubation in a thioglycollate medium it was shown that intestinal micro-organisms can effect cleavage of glycosidic bonds, ring fission of certain flavonoid molecules showing 3',4',5'-trihydroxyphenyl substitution and dehydroxylation of certain flavonoid metabolites. 6. The urinary excretion of the metabolites 3,5-dihydroxyphenylacetic acid and 3-hydroxyphenylacetic acid was completely abolished when neomycin-treated rats were used.

  4. Enzymic oxidation of. cap alpha. ,. beta. -unsaturated alcohols in the side chains of lignin-related aromatic compounds

    Energy Technology Data Exchange (ETDEWEB)

    Iwahara, S. (Kagawa Univ., Kagawa-ken, Japan); Nishihira, T.; Jomori, T.; Kuwahara, M.; Higuchi, T.


    An enzyme which catalyzed oxidation of the ..cap alpha..,..beta..-unsaturated primary alcohol group in the side chain of dehydrodiconiferyl alcohol to the corresponding aldehyde was excreted into the culture media by several molds that degraded synthetic lignin-a dehydrogenation polymer of coniferyl alcohol and lignosulfonate. The enzyme produced by Fusarium solani M-13-1, partially purified by gel filtration, specifically oxidized ..cap alpha..,..beta..-unsaturated alcohols in the side chains of lignin-related aromatic compounds such as coniferyl alcohol, cinnamyl alcohol, dehydrodiconiferyl alcohol and guaiacylglycerol-..beta..-coniferyl ether, but did not oxidize aromatic alcohols such as benzyl o-, m- and p-methoxybenzyl, and vanillyl alcohols or aliphatic alcohols such as methanol, ethanol, butanol. The reaction required one mole of oxygen to oxidize one mole of substrate and produced one mole of hydrogen peroxide. It is suggested that this enzyme also oxidizes ..cap alpha..,..beta..-unsaturated alcohol groups in the side chains of high molecular weight lignins.

  5. Optimization of separation and online sample concentration of N,N-dimethyltryptamine and related compounds using MEKC. (United States)

    Wang, Man-Juing; Tsai, Chih-Hsin; Hsu, Wei-Ya; Liu, Ju-Tsung; Lin, Cheng-Huang


    The optimal separation conditions and online sample concentration for N,N-dimethyltryptamine (DMT) and related compounds, including alpha-methyltryptamine (AMT), 5-methoxy-AMT (5-MeO-AMT), N,N-diethyltryptamine (DET), N,N-dipropyltryptamine (DPT), N,N-dibutyltryptamine (DBT), N,N-diisopropyltryptamine (DiPT), 5-methoxy-DMT (5-MeO-DMT), and 5-methoxy-N,N-DiPT (5-MeO-DiPT), using micellar EKC (MEKC) with UV-absorbance detection are described. The LODs (S/N = 3) for MEKC ranged from 1.0 1.8 microg/mL. Use of online sample concentration methods, including sweeping-MEKC and cation-selective exhaustive injection-sweep-MEKC (CSEI-sweep-MEKC) improved the LODs to 2.2 8.0 ng/mL and 1.3 2.7 ng/mL, respectively. In addition, the order of migration of the nine tryptamines was investigated. A urine sample, obtained by spiking urine collected from a human volunteer with DMT, was also successfully examined.

  6. Usefulness of High-Frequency Compound Spatial Sonography in the Assessment of Hepatitis B Virus Related Chronic Liver Disease

    Energy Technology Data Exchange (ETDEWEB)

    Kim, Hyung Soo [Wonkwang University College of Medicine, Iksan (Korea, Republic of); 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 [Korea University College of Medicine, Seoul (Korea, Republic of)


    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

  7. Electronic and lattice dynamical properties of II-IV-N{sub 2} semiconductors

    Energy Technology Data Exchange (ETDEWEB)

    Punya, Atchara; Paudel, Tula R.; Lambrecht, Walter R.L. [Department of Physics, Case Western Reserve University, Cleveland, OH 444106-7079 (United States)


    The II-IV-N2 semiconductors constitute a family of heterovalent ternary semiconductors with properties closely related to those of the III-Nitrides. We here focus on Zn-IV-N2 semiconductors with the group IV-element Si, Ge and Sn. We present results on their electronic band structures obtained with the quasiparticle self-consistent GW method and the full-potential linearized muffin-tin orbital method. The latter is also used to calculate the energies of formation of these compounds from the constituent elements. The lattice dynamical properties were presented earlier in a series of papers and the main properties are briefly reviewed here. We emphasize the trends in the family of materials compared to those of the III-N and discuss the experimental data for the phonons. (copyright 2011 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)

  8. 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.

  9. The importance of ATP-related compounds for the freshness and flavor of post-mortem fish and shellfish muscle: A review. (United States)

    Hong, Hui; Regenstein, Joe M; Luo, Yongkang


    ATP degradation is one of the most important biochemical changes in the post-mortem muscle of fish and shellfish. This process has long been recognized as an accurate way to evaluate freshness of fish and shellfish product. This review updates and condenses the overall history and recent advances in understanding the role of ATP-related compounds in post-mortem fish and shellfish muscle including a discussion of key analytical methods, their use as a freshness indicator, their roles in flavor enhancement, the factors affecting their transitions, and the possible mechanisms responsible for their impact on flavor and freshness. Moreover, some challenges and future directions for research regarding ATP-related compounds in fish and shellfish flavor and freshness are presented. With increasing consumer demands for fresh products with extended shelf life, understanding the relationships between ATP-related compounds and their involvement in the freshness and umami taste is a prerequisite for assuring the high quality of fish and shellfish.

  10. A High Resolution/Accurate Mass (HRAM) Data-Dependent MS3 Neutral Loss Screening, Classification, and Relative Quantitation Methodology for Carbonyl Compounds in Saliva (United States)

    Dator, Romel; Carrà, Andrea; Maertens, Laura; Guidolin, Valeria; Villalta, Peter W.; Balbo, Silvia


    Reactive carbonyl compounds (RCCs) are ubiquitous in the environment and are generated endogenously as a result of various physiological and pathological processes. These compounds can react with biological molecules inducing deleterious processes believed to be at the basis of their toxic effects. Several of these compounds are implicated in neurotoxic processes, aging disorders, and cancer. Therefore, a method characterizing exposures to these chemicals will provide insights into how they may influence overall health and contribute to disease pathogenesis. Here, we have developed a high resolution accurate mass (HRAM) screening strategy allowing simultaneous identification and relative quantitation of DNPH-derivatized carbonyls in human biological fluids. The screening strategy involves the diagnostic neutral loss of hydroxyl radical triggering MS3 fragmentation, which is only observed in positive ionization mode of DNPH-derivatized carbonyls. Unique fragmentation pathways were used to develop a classification scheme for characterizing known and unanticipated/unknown carbonyl compounds present in saliva. Furthermore, a relative quantitation strategy was implemented to assess variations in the levels of carbonyl compounds before and after exposure using deuterated d 3 -DNPH. This relative quantitation method was tested on human samples before and after exposure to specific amounts of alcohol. The nano-electrospray ionization (nano-ESI) in positive mode afforded excellent sensitivity with detection limits on-column in the high-attomole levels. To the best of our knowledge, this is the first report of a method using HRAM neutral loss screening of carbonyl compounds. In addition, the method allows simultaneous characterization and relative quantitation of DNPH-derivatized compounds using nano-ESI in positive mode.

  11. 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


    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.

  12. Highly trifluoromethylated platinum compounds. (United States)

    Martínez-Salvador, Sonia; Forniés, Juan; Martín, Antonio; Menjón, Babil


    The homoleptic, square-planar organoplatinum(II) compound [NBu(4)](2) [Pt(CF(3))(4)] (1) undergoes oxidative addition of CF(3) I under mild conditions to give rise to the octahedral organoplatinum(IV) complex [NBu(4)](2) [Pt(CF(3))(5)I] (2). This highly trifluoromethylated species reacts with Ag(+) salts of weakly coordinating anions in Me(2)CO under a wet-air stream to afford the aquo derivative [NBu(4)][Pt(CF(3))(5) (OH(2))] (4) in around 75% yield. When the reaction of 2 with the same Ag(+) salts is carried out in MeCN, the solvento compound [NBu(4) ][Pt(CF(3))(5)(NCMe)] (5) is obtained in around 80% yield. The aquo ligand in 4 as well as the MeCN ligand in 5 are labile and can be cleanly replaced by neutral and anionic ligands to furnish a series of pentakis(trifluoromethyl)platinate(IV) compounds with formulae [NBu(4)][Pt(CF(3))(5) (L)] (L=CO (6), pyridine (py; 7), tetrahydrothiophene (tht; 8)) and [NBu(4)](2) [Pt(CF(3))(5)X] (X=Cl (9), Br (10)). The unusual carbonyl-platinum(IV) derivative [NBu(4)][Pt(CF(3))(5) (CO)] (6) is thermally stable and has a ν(CO) of 2194 cm(-1). The crystal structures of 2⋅CH(2)Cl(2), 5, [PPh(4) ][Pt(CF(3))(5)(CO)] (6'), and 7 have been established by X-ray diffraction methods. Compound 2 has shown itself to be a convenient entry to the chemistry of highly trifluoromethylated platinum compounds. To the best of our knowledge, compounds 2 and 4-10 are the organoelement compounds with the highest CF(3) content to have been isolated and adequately characterized to date. Copyright © 2011 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  13. Predicting DPP-IV inhibitors with machine learning approaches (United States)

    Cai, Jie; Li, Chanjuan; Liu, Zhihong; Du, Jiewen; Ye, Jiming; Gu, Qiong; Xu, Jun


    Dipeptidyl peptidase IV (DPP-IV) is a promising Type 2 diabetes mellitus (T2DM) drug target. DPP-IV inhibitors prolong the action of glucagon-like peptide-1 (GLP-1) and gastric inhibitory peptide (GIP), improve glucose homeostasis without weight gain, edema, and hypoglycemia. However, the marketed DPP-IV inhibitors have adverse effects such as nasopharyngitis, headache, nausea, hypersensitivity, skin reactions and pancreatitis. Therefore, it is still expected for novel DPP-IV inhibitors with minimal adverse effects. The scaffolds of existing DPP-IV inhibitors are structurally diversified. This makes it difficult to build virtual screening models based upon the known DPP-IV inhibitor libraries using conventional QSAR approaches. In this paper, we report a new strategy to predict DPP-IV inhibitors with machine learning approaches involving naïve Bayesian (NB) and recursive partitioning (RP) methods. We built 247 machine learning models based on 1307 known DPP-IV inhibitors with optimized molecular properties and topological fingerprints as descriptors. The overall predictive accuracies of the optimized models were greater than 80%. An external test set, composed of 65 recently reported compounds, was employed to validate the optimized models. The results demonstrated that both NB and RP models have a good predictive ability based on different combinations of descriptors. Twenty "good" and twenty "bad" structural fragments for DPP-IV inhibitors can also be derived from these models for inspiring the new DPP-IV inhibitor scaffold design.

  14. Environmental Risk Limits for alcohols, glycols, and some other relatively soluble and/or volatile compounds 1. Ecotoxicological evaluation

    NARCIS (Netherlands)

    Verbruggen EMJ; Rila JP; Traas TP; Posthuma-Doodeman CJAM; Posthumus R; SEC


    In this report, maximum permissible concentrations (MPC), negligible concentrations (NC) and serious risk concentrations (SRCeco) are derived for the following compounds: 1-butanol, 2-butanol, n-butyl acetate, cyclohexylamine, diethylene glycol, ethyl acetate, ethylene glycol, methanol, methyl ethyl

  15. Identification of lignans and related compounds in Anthriscus sylvestris by LC-ESI-MS/MS and LC-SPE-NMR

    NARCIS (Netherlands)

    Hendrawati, Oktavia; Woerdenbag, Herman J.; Michiels, Paul J. A.; Aantjes, Herald G.; van Dam, Annie; Kayser, Oliver


    The aryltetralin lignan deoxypodophyllotoxin is much more widespread in the plant kingdom than podophyllotoxin. The latter serves as a starting compound for the production of cytostatic drugs like etoposide. A better insight into the occurrence of deoxypodophyllotoxin combined with detailed

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

    Indian Academy of Sciences (India)

    LaFe11.6Si1.4 compounds are annealed at different high temperatures from 1323 to 1623 K. The powder X-ray diffraction patterns show that large amount of NaZn13-type phase begins to be observed in LaFe11.6Si1.4 compound after being annealed at 1423 K for 5 h. In the temperature range from 1423 to 1523 K, the ...

  17. 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.

  18. Guiana Dolphins (Sotalia guianensis) and DR-CALUX for Screening Coastal Brazilian Environments for Dioxins and Related Compounds. (United States)

    Dorneles, Paulo R; Lailson-Brito, José; Bisi, Tatiana L; Domit, Camila; Barbosa, Lupércio A; Meirelles, Ana C O; Carvalho, Vitor L; Malm, Olaf; Azevedo, Alexandre F; Brose, François; Das, Krishna; Scippo, Marie-Louise


    Guiana dolphin is the top predator of highest toxicological concern in Brazil and many studies on levels of persistent, bioaccumulative, and toxicant (PBT) pollutants have been performed on the species. However, due to high costs of the analyses, only one investigation comprised the determination of dioxins and related compounds (DRCs) in Guiana dolphin tissues. The dioxin responsive-chemically activated luciferase gene expression (DR-CALUX(®)) cell bioassay was used in the present study for the analyses of hepatic samples from 28 male Guiana dolphins in order to screen estuarine environments for DRCs, comprising three regions (Northeastern, Southeastern, and Southern) and four states [Paraná (PR), Rio de Janeiro (RJ), Espírito Santo (ES), and Ceará (CE)] of Brazil. High bioanalytical equivalent (BEQ) concentrations [dioxins (pg BEQ/g lipid)] were found, varying from 1.94 to 15.6 pg BEQ/g. A significant negative correlation between BEQ concentrations and total length was found in Guiana dolphins from Brazil (all analysed dolphins). This pattern also was verified for RJ state, pointing to (1) chemically induced developmental disruption or to (2) increasing efficiency of the detoxifying activity with the growth of the animal. Comparison was performed with literature data and significantly higher BEQ levels were found in Brazilian Guiana dolphins than in those reported for North Sea harbour porpoises. Higher levels were found in Southeastern (the most PBT-contaminated area of the country) than in Southern region. However, it is not possible to affirm that Guiana dolphins are more contaminated by DRCs in SE than in S region, because individuals were lengthier in S than in SE region. Our results seem to have mirrored dolphin exposure to PCBs in Brazil according to the literature. Further studies are required for investigating the hypotheses 1 and 2 mentioned above.

  19. Contact and fumigant toxicity of Pinus densiflora needle hydrodistillate constituents and related compounds and efficacy of spray formulations containing the oil to Dermatophagoides farinae. (United States)

    Lee, Ju-Hee; Kim, Jun-Ran; Koh, Young Ryull; Ahn, Young-Joon


    The toxicity of red pine needle hydrodistillate (RPN-HD), 19 RPN-HD constituents and another 12 structurally related compounds and the control efficacy of four experimental spray formulations containing RPN-HD (0.5. 1, 2 and 3% sprays) to adult Dermatophagoides farinae were evaluated. RPN-HD (24 h LC50 , 68.33 µg cm(-2) ) was toxic to mites. Menthol was the most toxic compound (12.69 µg cm(-2) ), and the toxicity of this compound and benzyl benzoate did not differ significantly. High toxicity was also produced by α-terpineol, bornyl acetate, geranyl acetate, thymol, linalyl acetate, terpinyl acetate, citral, linalool and camphor (18.79-36.51 µg cm(-2) ). These compounds were more toxic than either deet or dibutyl phthalate. In vapour-phase mortality tests, these compounds were consistently more toxic in closed versus open containers, indicating that their mode of delivery was largely a result of vapour action. RPN-HD 3% experimental spray provided 95% mortality against adult D. farinae, whereas permethrin (cis:trans, 25:75) 2.5 g L(-1) spray treatment resulted in 0% mortality. In the light of global efforts to reduce the level of highly toxic synthetic acaricides in indoor environments, RPN-HD and the compounds described merit further study as potential biocides for the control of Dermatophagoides populations as fumigants with contact action. © 2012 Society of Chemical Industry.

  20. IV access in dental practice.

    LENUS (Irish Health Repository)

    Fitzpatrick, J J


    Intravenous (IV) access is a valuable skill for dental practitioners in emergency situations and in IV sedation. However, many people feel some apprehension about performing this procedure. This article explains the basic principles behind IV access, and the relevant anatomy and physiology, as well as giving a step-by-step guide to placing an IV cannula.

  1. The conjugation protein TcpC from Clostridium perfringens is structurally related to the type IV secretion system protein VirB8 from Gram-negative bacteria. (United States)

    Porter, Corrine J; Bantwal, Radhika; Bannam, Trudi L; Rosado, Carlos J; Pearce, Mary C; Adams, Vicki; Lyras, Dena; Whisstock, James C; Rood, Julian I


    Bacterial conjugation is important for the acquisition of virulence and antibiotic resistance genes. We investigated the mechanism of conjugation in Gram-positive pathogens using a model plasmid pCW3 from Clostridium perfringens. pCW3 encodes tetracycline resistance and contains the tcp locus, which is essential for conjugation. We showed that the unique TcpC protein (359 amino acids, 41 kDa) was required for efficient conjugative transfer, localized to the cell membrane independently of other conjugation proteins, and that membrane localization was important for its function, oligomerization and interaction with the conjugation proteins TcpA, TcpH and TcpG. The crystal structure of the C-terminal component of TcpC (TcpC(99-359)) was determined to 1.8-Å resolution. TcpC(99-359) contained two NTF2-like domains separated by a short linker. Unexpectedly, comparative structural analysis showed that each of these domains was structurally homologous to the periplasmic region of VirB8, a component of the type IV secretion system from Agrobacterium tumefaciens. Bacterial two-hybrid studies revealed that the C-terminal domain was critical for interactions with other conjugation proteins. The N-terminal region of TcpC was required for efficient conjugation, oligomerization and protein-protein interactions. We conclude that by forming oligomeric complexes, TcpC contributes to the stability and integrity of the conjugation apparatus, facilitating efficient pCW3 transfer. © 2011 Blackwell Publishing Ltd.

  2. Dibromidodimethyldipyridineplatinum(IV

    Directory of Open Access Journals (Sweden)

    Mairéad E. Kelly


    Full Text Available In the title complex, [PtBr2(CH32(C5H5N2], the PtIV metal centre lies on a twofold rotation axis and adopts a slightly distorted octahedral coordination geometry. The structure displays weak intramolecular C—H...Br hydrogen-bonding interactions.

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

    Energy Technology Data Exchange (ETDEWEB)

    Bachhuber, Frederik [University of Regensburg, Institute of Inorganic Chemistry, Universitätsstr. 31, 93040 Regensburg (Germany); School of Chemical Sciences, University of Auckland, Private Bag 92019, Auckland (New Zealand); Krach, Alexander; Furtner, Andrea [University of Regensburg, Institute of Inorganic Chemistry, Universitätsstr. 31, 93040 Regensburg (Germany); Söhnel, Tilo [School of Chemical Sciences, University of Auckland, Private Bag 92019, Auckland (New Zealand); Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Auckland, Auckland (New Zealand); Peter, Philipp; Rothballer, Jan [University of Regensburg, Institute of Inorganic Chemistry, Universitätsstr. 31, 93040 Regensburg (Germany); Weihrich, Richard, E-mail: [University of Regensburg, Institute of Inorganic Chemistry, Universitätsstr. 31, 93040 Regensburg (Germany)


    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{sub 2} and MCh{sub 2} boundary phases are taken into account as well as ternary M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 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{sub 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{sub 2}). - Highlights: • Study of compositional stability of MTCh vs. M{sub 3}T{sub 2}Ch{sub 2} and M{sub 2}T{sub 3}Ch{sub 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{sub 2}.

  4. Virgin olive oil rich in phenolic compounds modulates the expression of atherosclerosis-related genes in vascular endothelium. (United States)

    Meza-Miranda, Eliana R; Rangel-Zúñiga, Oriol A; Marín, Carmen; Pérez-Martínez, Pablo; Delgado-Lista, Javier; Haro, Carmen; Peña-Orihuela, Patricia; Jiménez-Morales, Ana I; Malagón, María M; Tinahones, Francisco J; López-Miranda, José; Pérez-Jiménez, Francisco; Camargo, Antonio


    Previous studies have shown the anti-inflammatory and antioxidant properties of phenolic compounds of virgin olive oil (VOO). However, the effect of bioavailable phenolic compounds on the vascular endothelium is unknown. We aimed to evaluate the effect of the consumption of virgin olive oil rich in phenolic compounds on the vascular endothelium. We treated HUVEC with human serum obtained in fasting state and after the intake of a breakfast prepared with VOO with a high or low content of phenolic compounds. Treatment of HUVEC with serum obtained 2 h after the intake of the high-phenol VOO-based breakfast decreased p65 and MCP-1 gene expression (p phenol VOO-based breakfast. The treatment with serum obtained 4 h after the intake of the high-phenol VOO-based breakfast decreased MCP-1 and CAT gene expression (p phenol VOO-based breakfast. Our results suggest that the consumption of virgin olive oil rich in phenolic compounds may reduce the risk of atherosclerosis development by decreasing inflammation and improving the antioxidant profile in the vascular endothelium.

  5. 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. (United States)

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


    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.

  6. Axis IV--psychosocial and environmental problems--in the DSM-IV. (United States)

    Ramirez, A; Ekselius, L; Ramklint, M


    The aim of this study was to further explore the properties of axis IV in the Diagnostic and statistical manual of mental disorders, 4th edition (DSM-IV). In a naturalistic cross-sectional design, a group (n = 163) of young (18-25 years old) Swedish psychiatric outpatients was assessed according to DSM-IV. Psychosocial and environmental problems/axis IV were evaluated through structured interviewing by a social worker and by self-assessment on a questionnaire. Reliability between professional assessment and self-assessment of axis IV was examined. Concurrent validity of axis IV was also examined. Reliability between professional and self-assessed axis IV was fair to almost perfect, 0.31-0.83, according to prevalence and bias-adjusted kappa. Categories of psychosocial stress and environmental problems were related to the presence of axis I disorders, co-morbidity, personality disorders and decreasing Global Assessment of Functioning (GAF) values. The revised axis IV according to DSM-IV seems to have concurrent validity, but is still hampered by limited reliability. © 2013 John Wiley & Sons Ltd.

  7. Spectroscopic studies and molecular docking on the interaction of organotin antitumor compound bis[2,4-difluoro-N-(hydroxy-⟨κ⟩O)benzamidato-⟨κ⟩O]diphenyltin(IV) with human cytochrome P450 3A4 protease (United States)

    Wei, Ying; Niu, Lin; Liu, Xinxin; Zhou, Hongyan; Dong, Hongzhou; Kong, Depeng; Li, Yunlan; Li, Qingshan


    A novel organotin DFDPT was synthesized and characterized by elemental analysis, IR, 1H, 13C, 119Sn, NMR techniques,etc. In order to investigate profoundly the relationship between DFDPT with human CYP3A4 proteaset and anticancer molecular mechanism of DFDPT, the intercalative mode of binding of DFDPT with CYP3A4 under physiological conditions were comprehensively evaluated using steady state, synchronous, three-dimensional fluorescence spectroscopy,circular dichroism and molecular docking. Fluorescence emission data showed that CYP3A4 fluorescence affected by DFDPT was a static quenching procedure, which implied that DFDPT-CYP3A4 complex had been formed. Apparent binding constants Kb of CYP3A4 with compound at 298 and 310 K were 2.51 × 107 and 3.09 × 105, respectively. The binding sites number n was 1.64 and 1.22, respectively. The thermodynamic parameters ΔH and ΔS of the DFDPT-CYP3A4 complex were negative, which indicated that their interaction was driven mainly by hydrogen bonding and van der Waals force. The binding of DFDPT-CYP3A4 was spontaneous process in which ΔG was negative. The synchronous results showed DFDPT induced conformational changes of CYP3A4 protein. Three-dimensional fluorescence and circular dichroism spectra results also revealed conformation of CYP3A4 protein had been possible changed in the presence of DFDPT. Molecular docking was used to study the interaction orientation between DFDPT and CYP3A4 protease. The results indicated that DFDPT interacted with a panel of amino acids in the active sites of CYP3A4 protein mainly through formation of hydrogen bond. Furthermore, the predicted binding mode of DFDPT into CYP3A4 appeared to adopt an orientation with interactions among Arg105, Ser119 and Thr309.

  8. Aqueous chemistry of Ce(iv): estimations using actinide analogues. (United States)

    Marsac, Rémi; Réal, Florent; Banik, Nidhu Lal; Pédrot, Mathieu; Pourret, Olivier; Vallet, Valérie


    The prediction of cerium (Ce) aqueous speciation is relevant in many research fields. Indeed, Ce compounds are used for many industrial applications, which may require the control of Ce aqueous chemistry for their synthesis. The aquatic geochemistry of Ce is also of interest. Due to its growing industrial use and its release into the environment, Ce is now considered as an emerging contaminant. Cerium is also used as a proxy of (paleo)redox conditions due to the Ce(iv)/Ce(iii) redox transition. Finally, Ce(iv) is often presented as a relevant analogue of tetravalent actinides (An(iv)). In the present study, quantum chemical calculations were conducted to highlight the similarities between the structures of Ce(iv) and tetravalent actinide (An(iv); An = Th, Pa, U, Np, Pu) aqua-ions, especially Pu(iv). The current knowledge of An(iv) hydrolysis, solubility and colloid formation in water was briefly reviewed but important discrepancies were observed in the available data for Ce(iv). Therefore, new estimations of the hydrolysis constants of Ce(iv) and the solubility of Ce(iv)-(hydr)oxides are proposed, by analogy with Pu(iv). By plotting pH-Eh (Pourbaix) diagrams, we showed that the pH values corresponding to the onset of Ce(iv) species formation (i.e. Ce(iv)-(hydr)oxide or dissolved Ce(iv)) agreed with various experimental results. Although further experimental studies are required to obtain a more accurate thermodynamic database, the present work might yet help to predict more accurately the Ce chemical behavior in aqueous solution.

  9. Synthesis and Biological Investigation of Δ(12)-Prostaglandin J3 (Δ(12)-PGJ3) Analogues and Related Compounds. (United States)

    Nicolaou, K C; Pulukuri, Kiran Kumar; Rigol, Stephan; Heretsch, Philipp; Yu, Ruocheng; Grove, Charles I; Hale, Christopher R H; ElMarrouni, Abdelatif; Fetz, Verena; Brönstrup, Mark; Aujay, Monette; Sandoval, Joseph; Gavrilyuk, Julia


    A series of Δ(12)-prostaglandin J3 (Δ(12)-PGJ3) analogues and derivatives were synthesized employing an array of synthetic strategies developed specifically to render them readily available for biological investigations. The synthesized compounds were evaluated for their cytotoxicity against a number of cancer cell lines, revealing nanomolar potencies for a number of them against certain cancer cell lines. Four analogues (2, 11, 21, and 27) demonstrated inhibition of nuclear export through a covalent addition at Cys528 of the export receptor Crm1. One of these compounds (i.e., 11) is currently under evaluation as a potential drug candidate for the treatment of certain types of cancer. These studies culminated in useful and path-pointing structure-activity relationships (SARs) that provide guidance for further improvements in the biological/pharmacological profiles of compounds within this class.

  10. New antiperovskite superconductor ZnNNi{sub 3}, and related compounds CdNNi{sub 3} and InNNi{sub 3}

    Energy Technology Data Exchange (ETDEWEB)

    Uehara, Masatomo, E-mail: [Department of Physics, Faculty of Engineering, Yokohama National University, Hodogaya-ku Yokohama 240-8501 (Japan); Uehara, Akira; Kozawa, Katsuya; Yamazaki, Takahiro; Kimishima, Yoshihide [Department of Physics, Faculty of Engineering, Yokohama National University, Hodogaya-ku Yokohama 240-8501 (Japan)


    We briefly report the synthesis, electrical resistivity, magnetic susceptibility, and specific heat for a new antiperovskite superconductor ZnNNi{sub 3} with T{sub c} {approx} 3 K, and related compounds CdNNi{sub 3} and InNNi{sub 3}. In these materials, CdNNi{sub 3} has been synthesized for the first time by our work. The crystal structures of these compounds have the same antiperovskite-type such as MgCNi{sub 3} and CdCNi{sub 3}.

  11. Changes in the gene expression of C-myc and CD38 in HL-60 cells during differentiation induced by nicotinic acid-related compounds. (United States)

    Ida, Chieri; Ogata, Shin; Okumura, Katsuzumi; Taguchi, Hiroshi


    Changes in gene expression levels of c-myc and CD38 were examined during the differentiation of HL-60 cells to granulocytes due to three nicotinic acid-related compounds. CD38 expression was increased by isonicotinic acid and all-trans-retinoic acid (ATRA). Nicotinamide and nicotinamide N-oxide drastically decreased c-myc expression, but isonicotinic acid had no effect, suggesting that these compounds differentiate HL-60 to granulocytes through different pathways. These results should provide useful information as to the mechanisms of cell differentiation.


    The ability of several 4- and 5-ring polycyclic aromatic hydrocarbons (PAHs), heterocyclic PAHs, and their monohydroxy derivatives to interact with the estrogen receptor (ER) alpha and beta isoforms was examined. Only compounds possessing a hydroxyl group were able to compete wit...

  13. Comparison of Different Extraction Methods for the Determination of Essential oils and Related Compounds from Coriander (Coriandrum sativum L.). (United States)

    Msaada, Kamel; Taârit, Mouna Ben; Hosni, Karim; Nidhal, Salem; Tammar, Sonia; Bettaieb, Iness; Hammami, Mohamed; Limam, Férid; Marzouk, Brahim


    The volatile oil of coriander (Coriandrum sativum L.) obtained from the fruits by soxhlet-dynamic headspace (S-DHS), solvent extraction (SE), steam distillation (SD), hydrodistillation (HYD) and supercritical CO2 extraction (SC-CO2) were analyzed by GC-FID and GC-MS. The SC-CO2 offered a higher yield (4.5%, w/w) than the other used techniques. Among the identified constituents, linalool was the main compound whatever the employed extraction procedure in contrast to the remaining components which varied according to the isolation technique showing a strong effect of the method used on the composition of these minor compounds. SC-CO2 as compared to the other extraction techniques revealed its high efficiency in addition to the integrity saving of coriander fruit volatiles. Statistical analysis showed that all the detected and identified compounds were highly (P > 0.001) affected by the extraction technique used except the a-terpineol which appear stable. On the other hand, principal component analysis (PCA) revealed on the determination of one group represented by SC-CO2, S-DHS and HYD suggesting a similar essential oil composition. Obtained results show that, in Tunisian coriander essential oil, linalool was the main compound.

  14. β-carboline compounds, including harmine, inhibit DYRK1A and tau phosphorylation at multiple Alzheimer's disease-related sites.

    Directory of Open Access Journals (Sweden)

    Danielle Frost

    Full Text Available Harmine, a β-carboline alkaloid, is a high affinity inhibitor of the dual specificity tyrosine phosphorylation regulated kinase 1A (DYRK1A protein. The DYRK1A gene is located within the Down Syndrome Critical Region (DSCR on chromosome 21. We and others have implicated DYRK1A in the phosphorylation of tau protein on multiple sites associated with tau pathology in Down Syndrome and in Alzheimer's disease (AD. Pharmacological inhibition of this kinase may provide an opportunity to intervene therapeutically to alter the onset or progression of tau pathology in AD. Here we test the ability of harmine, and numerous additional β-carboline compounds, to inhibit the DYRK1A dependent phosphorylation of tau protein on serine 396, serine 262/serine 356 (12E8 epitope, and threonine 231 in cell culture assays and in vitro phosphorylation assays. Results demonstrate that the β-carboline compounds (1 potently reduce the expression of all three phosphorylated forms of tau protein, and (2 inhibit the DYRK1A catalyzed direct phosphorylation of tau protein on serine 396. By assaying several β-carboline compounds, we define certain chemical groups that modulate the affinity of this class of compounds for inhibition of tau phosphorylation.

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

    Directory of Open Access Journals (Sweden)

    Ling Xu

    Full Text Available 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

  16. Zirconium(IV) and Hafnium(IV)-Catalyzed Highly Enantioselective Epoxidation of Homoallylic and Bishomoallylic Alcohols (United States)

    Li, Zhi; Yamamoto, Hisashi


    In this report, zirconium(IV) and hafnium(IV)-bishydroxamic acid complexes were utilized in the highly enantioselective epoxidation of homoallylic alcohols and bishomoallylic alcohols, which used to be quite difficult substrates for other types of asymmetric epoxidation reactions. The performance of the catalyst was improved by adding polar additive and molecular sieves. For homoallylic alcohols, the reaction could provide epoxy alcohols in up to 81% yield and up to 98% ee, while for bishomoallylic alcohols, up to 75% yield and 99% ee of epoxy alcohols rather than cyclize compounds could be obtained in most cases. PMID:20481541

  17. Zirconium(IV)- and hafnium(IV)-catalyzed highly enantioselective epoxidation of homoallylic and bishomoallylic alcohols. (United States)

    Li, Zhi; Yamamoto, Hisashi


    In this report, zirconium(IV)- and hafnium(IV)-bishydroxamic acid complexes were utilized in the highly enantioselective epoxidation of homoallylic alcohols and bishomoallylic alcohols, which used to be quite difficult substrates for other types of asymmetric epoxidation reactions. The performance of the catalyst was improved by adding polar additive and molecular sieves. For homoallylic alcohols, the reaction could provide epoxy alcohols in up to 83% yield and up to 98% ee, while, for bishomoallylic alcohols, up to 79% yield and 99% ee of epoxy alcohols rather than cyclized tetrahydrofuran compounds could be obtained in most cases.

  18. Pungency Evaluation of Hydroxyl-Sanshool Compounds After Dissolution in Taste Carriers Per Time-Related Characteristics. (United States)

    Zhang, Lulu; Shi, Bolin; Wang, Houyin; Zhao, Lei; Chen, Zhongxiu


    This study was conducted to investigate the sensory characteristics and temporal migration of hydroxyl-sanshool compounds at slight and moderate concentrations after dissolution in ethanol-water, saccharose, NaCl, and MSG via 2-AFC, time intensity (TI) and temporal dominance of sensations (TDS) methods. The pungency detection threshold (DT) was suppressed in saccharose while NaCl and MSG solutions showed no effect on pungency DT. The area under the curve (AUC) of pungency increased in NaCl and MSG solutions and decreased significantly in saccharose solution. Imax (maximal intensity) also increased in NaCl and MSG at low concentrations of hydroxyl-sanshool compounds. The temporally dominant sensations and migration of said sensations across the oral cavity differed among different carriers. Low levels of pungency compounds were characterized by tingling first in the tongue tip and ending in the lips, while moderate levels of the compound produced tingling, astringency, vibrating, and numbing from the tongue tip to the bilateral sides of the tongue, lips, palate, cheek mucosa, and surface of the tongue over time. There were significant differences in the maximum rate, peak time, and duration of any dominant sensation, as well as in the duration of sensation in the lips, tongue tip, and bilateral sides of the tongue. This study provides a dynamic profile of consuming pungent food, which provides a reference not only for the design of new food products with desirable pungency, but also as a scientific basis for the application of pungent compounds within the food and catering industry. © The Author 2017. Published by Oxford University Press. All rights reserved. For permissions, please e-mail:

  19. Relation between organic-wastewater compounds, groundwater geochemistry, and well characteristics for selected wells in Lansing, Michigan (United States)

    Haack, Sheridan K.; Luukkonen, Carol L.


    In 2010, groundwater from 20 Lansing Board of Water and Light (BWL) production wells was tested for 69 organic-wastewater compounds (OWCs). The OWCs detected in one-half of the sampled wells are widely used in industrial and environmental applications and commonly occur in many wastes and stormwater. To identify factors that contribute to the occurrence of these constituents in BWL wells, the U.S. Geological Survey (USGS) interpreted the results of these analyses and related detections of OWCs to local characteristics and groundwater geochemistry. Analysis of groundwater-chemistry data collected by the BWL during routine monitoring from 1969 to 2011 indicates that the geochemistry of the BWL wells has changed over time, with the major difference being an increase in sodium and chloride. The concentrations of sodium and chloride were positively correlated to frequency of OWC detections. The BWL wells studied are all completed in the Saginaw aquifer, which consists of water-bearing sandstones of Pennsylvanian age. The Saginaw aquifer is underlain by the Parma-Bayport aquifer, and overlain by the Glacial aquifer. Two possible sources of sodium and chloride were evaluated: basin brines by way of the Parma-Bayport aquifer, and surficial sources by way of the Glacial aquifer. To determine if water from the underlying aquifer had influenced well-water geochemistry over time, the total dissolved solids concentration and changes in major ion concentrations were examined with respect to well depth, age, and pumping rate. To address a possible surficial source of sodium and chloride, 25 well, aquifer, or hydrologic characteristics, and 2 groundwater geochemistry variables that might influence whether, or the rate at which, water from the land surface could reach each well were compared to OWC detections and well chemistry. The statistical tests performed during this study, using available variables, indicated that reduced time of travel of water from the land surface to the

  20. A sputnik IV saga (United States)

    Lundquist, Charles A.


    The Sputnik IV launch occurred on May 15, 1960. On May 19, an attempt to deorbit a 'space cabin' failed and the cabin went into a higher orbit. The orbit of the cabin was monitored and Moonwatch volunteer satellite tracking teams were alerted to watch for the vehicle demise. On September 5, 1962, several team members from Milwaukee, Wisconsin made observations starting at 4:49 a.m. of a fireball following the predicted orbit of Sputnik IV. Requests went out to report any objects found under the fireball path. An early morning police patrol in Manitowoc had noticed a metal object on a street and had moved it to the curb. Later the officers recovered the object and had it dropped off at the Milwaukee Journal. The Moonwarch team got the object and reported the situation to Moonwatch Headquarters at the Smithsonian Astrophysical Observatory. A team member flew to Cambridge with the object. It was a solid, 9.49 kg piece of steel with a slag-like layer attached to it. Subsequent analyses showed that it contained radioactive nuclei produced by cosmic ray exposure in space. The scientists at the Observatory quickly recognized that measurements of its induced radioactivity could serve as a calibration for similar measurements of recently fallen nickel-iron meteorites. Concurrently, the Observatory directorate informed government agencies that a fragment from Sputnik IV had been recovered. Coincidently, a debate in the UN Committee on Peaceful Uses of Outer Space involved the issue of liability for damage caused by falling satellite fragments. On September 12, the Observatory delivered the bulk of the fragment to the US Delegation to the UN. Two days later, the fragment was used by US Ambassador Francis Plimpton as an exhibit that the time had come to agree on liability for damage from satellite debris. He offered the Sputnik IV fragment to USSR Ambassador P.D. Morozov, who refused the offer. On October 23, Drs. Alla Massevitch and E.K. Federov of the USSR visited the

  1. Bortezomib sensitizes primary human astrocytoma cells of WHO grades I to IV for tumor necrosis factor-related apoptosis-inducing ligand-induced apoptosis

    NARCIS (Netherlands)

    Koschny, Ronald; Holland, Heidrun; Sykora, Jaromir; Haas, Tobias L.; Sprick, Martin R.; Ganten, Tom M.; Krupp, Wolfgang; Bauer, Manfred; Ahnert, Peter; Meixensberger, Jürgen; Walczak, Henning


    Malignant gliomas are the most aggressive human brain tumors without any curative treatment. The antitumor effect of tumor necrosis factor-related apoptosis-inducing ligand (TRAIL) in gliomas has thus far only been thoroughly established in tumor cell lines. In the present study, we investigated the

  2. 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


    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

  3. Profiling the Phenolic Compounds of the Four Major Seed Coat Types and Their Relation to Color Genes in Lentil. (United States)

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


    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.

  4. Effect of ripening time and rearing system on amino acid-related flavour compounds of Iberian ham. (United States)

    Jurado, Angela; García, Carmen; Timón, María L; Carrapiso, Ana I


    The evolution of free amino acids and amino acid-derived volatile compounds during the ripening of Iberian ham from pigs reared in a Montanera system (outdoor-based, with acorn and pasture available) and a Pienso system (indoor-based, with a high oleic acid concentrate) was studied. Ripening time influenced significantly all the free amino acids detected (pPienso ones. With regard to the amino acid derived volatile compounds, only a significant influence of rearing system on acetaldehyde and on the coelution of 2,6-dimethylpyrazine+dihidro-2(3H)furanone was found. The small differences caused by rearing system confirm the great importance of concentrate formulation.

  5. Effect of five enological practices and of the general phenolic composition on fermentation-related aroma compounds in Mencia young red wines. (United States)

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


    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.

  6. Comparison of different extraction methods for the determination of essential oils and related compounds from aromatic plants and optimization of solid-phase microextraction/gas chromatography. (United States)

    Richter, Jana; Schellenberg, Ingo


    Different extraction methods for the subsequent gas chromatographic determination of the composition of essential oils and related compounds from marjoram (Origanum majorana L.), caraway (Carum carvi L.), sage (Salvia officinalis L.), and thyme (Thymus vulgaris L.) have been compared. The comparison was also discussed with regard to transformation processes of genuine compounds, particularly in terms of expenditure of time. Hydrodistillation is the method of choice for the determination of the essential oil content of plants. For investigating the composition of genuine essential oils and related, aroma-active compounds, hydrodistillation is not very useful, because of discrimination and transformation processes due to high temperatures and acidic conditions. With cold solvent extraction, accelerated solvent extraction, and supercritical fluid extraction, discrimination of high and non-volatile aroma-active components as well as transformation processes can be diminished, but non-aroma-active fats, waxes, or pigments are often extracted, too. As solid-phase microextraction is a solvent-free fully automizable sample preparation technique, this was the most sparing to sensitive components and the most time-saving method for the rapid determination of the aroma compounds composition in marjoram, caraway, sage, and thyme. Finally, solid-phase microextraction could be successfully optimized for the extraction of the aroma components from the plants for their subsequent gas chromatographic determination.

  7. Effects of salinity and nitrogen supply on the quality and health-related compounds of strawberry fruits (Fragaria × ananassa cv. Primoris). (United States)

    Cardeñosa, Vanessa; Medrano, Evangelina; Lorenzo, Pilar; Sánchez-Guerrero, Maria Cruz; Cuevas, Francisco; Pradas, Inmaculada; Moreno-Rojas, José M


    Different nitrogen inputs and/or development under adverse water conditions (water stress/low quality and/or high salinity/electrical conductivity), such as those prevailing in Almeria (Mediterranean coast, south-east Spain), may affect overall fruit and vegetable quality. This study evaluated the influence of salinity and nitrogen reduction in hydroponic nutrient solution on strawberry fruit quality and nutritional compounds (Fragaria × ananassa Duch., cv. Primoris). Strawberries obtained under salinity treatments recorded the highest values for soluble solids content (SSC; all samplings); fruit taste was thus enhanced. Additionally, salinity improved fruit nutritional value, with higher contents of antioxidants compounds (first sampling). During first and second samplings, strawberries grown under N reduction and non-saline conditions showed higher values for firmness compared to fruits developed under other treatments. Regarding health-related compounds, few differences were found except for total polyphenols concentration and antioxidant activity for the first sampling, where strawberries grown under saline treatments obtained the highest values for both parameters. The use of low-quality waters, such as those found in Almeria (salinity, N9S and N5S) and low nitrogen inputs (N5, avoid environmental impact) for strawberry cultivation does not exert a negative impact on overall quality. Positive differences could be found in SSC, firmness and health-related compounds when compared against the control treatment (N9). © 2014 Society of Chemical Industry.

  8. Analysis of Theobromine and Related Compounds by Reversed Phase High-Performance Liquid Chromatography with Ultraviolet Detection: An Update (1992–2011

    Directory of Open Access Journals (Sweden)

    Sandra Aparecida de Assis


    Full Text Available Theobromine and its related compounds, such as caffeine and theophylline, are secondary metabolites that belong to the alkaloids and have economic and cultural importance. These alkaloids have demonstrated stimulatory effects on the central nervous, gastrointestinal, cardiovascular, renal and respiratory systems, resulting in 'energy arousal', increased motivation to work, increased alertness and increased cognitive function. Several analytical methods have been used to analyse these compounds, but reversed phase high-performance liquid chromatography (RP-HPLC is the most commonly applied because of its efficiency, sensitivity, specificity and speed. This review describes the analyses of theobromine-related compounds by RP-HPLC with ultraviolet detection (UV in four sources: food, beverages, biological fluids and plants. Many RP-HPLC methods have been developed and optimized for the detection and quantification of these natural compounds. Elution under isocratic conditions is the most frequent method, with a water, methanol and acetonitrile mixture modified with acetic, phosphoric or formic acid as the mobile phase. For xanthine analysis, the use of reversed phase high-performance liquid chromatography with an ultraviolet/diode array detector (UV/DAD is particularly suitable as derivation is not required; it allows the analysis of absorbance at all wavelengths, it is simple and rapid.

  9. Structural studies on meiosis-activating sterols and structurally related compounds : potential ligands of the FF-MAS receptor

    NARCIS (Netherlands)

    Boer, D.R.


    Meiosis Activating Sterols (MAS) are key regulatory factors in the meiotic cell cycle. Two compounds in this family, Follicular Fluid-MAS (FF-MAS or 4,4-dimethyl-5a-cholest-8,14,24-triene-3b-ol) and Testicular-MAS (T-MAS or 4,4-dimethyl-5a-cholest-8,14-diene-3b-ol), have been isolated and

  10. Stereoselective synthesis of 2,3,7-trimethylcyclooctanone and related compounds and determination of their relative and absolute configurations by the M alpha NP acid method

    NARCIS (Netherlands)

    Naito, Junpei; Kuwahara, Shunsuke; Watanabe, Masataka; Decatur, John; Bos, Pieter H.; Van Summeren, Ruben P.; Ter Horst, Bjorn; Feringa, Ben L.; Minnaard, Adriaan J.; Harada, Nobuyuki


    The copper/chiral phosphoramidite (L-1)-catalyzed conjugate addition of dimethylzinc to cycloocta-2,7-dienone 4, followed by the methylation of the intermediate enolate, yielded a single isomer of 7,8-dimethylcyclooct-2-enone (+)-5. Compound (+)-5 was subjected to the second conjugate addition with

  11. Susceptibility of Pediococcus isolates to antimicrobial compounds in relation to hop-resistance and beer-spoilage

    Directory of Open Access Journals (Sweden)

    Ziola Barry


    Full Text Available Abstract Background Though important in the context of food microbiology and as potential pathogens in immuno-compromised humans, bacterial isolates belonging to the genus Pediococcus are best known for their association with contamination of ethanol fermentation processes (beer, wine, or fuel ethanol. Use of antimicrobial compounds (e.g., hop-compounds, Penicillin by some industries to combat Pediococcus contaminants is long-standing, yet knowledge about the resistance of pediococci to antimicrobial agents is minimal. Here we examined Pediococcus isolates to determine whether antibiotic resistance is associated with resistance to hops, presence of genes known to correlate with beer spoilage, or with ability to grow in beer. Results Lactic acid bacteria susceptibility test broth medium (LSM used in combination with commercially available GPN3F antimicrobial susceptibility plates was an effective method for assessing antimicrobial susceptibility of Pediococcus isolates. We report the finding of Vancomycin-susceptible Pediococcus isolates from four species. Interestingly, we found that hop-resistant, beer-spoilage, and beer-spoilage gene-harbouring isolates had a tendency to be more susceptible, rather than more resistant, to antimicrobial compounds. Conclusion Our findings indicate that the mechanisms involved in conferring hop-resistance or ability to spoil beer by Pediococcus isolates are not associated with resistance to antibiotics commonly used for treatment of human infections. Also, Vancomycin-resistance was found to be isolate-specific and not intrinsic to the genus as previously believed.

  12. Antimutagenic effects and possible mechanisms of action of vitamins and related compounds against genotoxic heterocyclic amines from cooked food. (United States)

    Edenharder, R; Worf-Wandelburg, A; Decker, M; Platt, K L


    Possible antimutagenic activity of 26 vitamins and related compounds - ascorbic acid, beta-carotene, cyanocobalamin, folic acid, nicotinic acid, nicotinamide, pantothenic acid, pyridoxale, pyridoxamine, pyridoxine, retinal, retinol, retinoic acid, retinyl acetate, retinyl palmitate, riboflavin, riboflavin 5'-phosphate, flavin adenine dinucleotide (FAD), alpha-tocopherol, alpha-tocopherol acetate, vitamins K(1), K(3), K(4), 1, 4-naphthoquinone, and coenzyme Q(10) - was tested against six heterocyclic amine (HCA) mutagens, i.e., 2-amino-3-methyl-imidazo[4, 5-f]quinoline (IQ), 2-amino-3,4-dimethyl-imidazo[4,5-f]quinoline (MeIQ), 2-amino-3,8-dimethyl-imidazo[4,5-f]quinoxaline (MeIQx), 2-amino-1-methyl-6-phenylimidazo[4,5-b]pyridine (PhIP), 2-amino-6-methyl-dipyrido[1,2-a:3',2'-d]imidazole (Glu-P-1) and 3-amino-1-methyl-5H-pyrido[4,3-b]indole (Trp-P-2) in the Salmonella/reversion assay using tester strains Salmonella typhimurium TA 98 and TA 100. Retinol, retinal, riboflavin, riboflavin 5'-phosphate, FAD, vitamins K(1), K(3), K(4), 1, 4-naphthoquinone, and coenzyme Q(10) caused a concentration-dependent decrease in the mutagenicity of all six mutagens in both tester strains. Quantification of antimutagenic potencies by calculating ID(50)1000; vitamin K(1): 401-740; vitamin K(3) (menadione): 85-590; vitamin K(4): 45-313; 1,4-naphthoquinone: 170-290; coenzyme Q(10): 490-860. In general, there were no major differences between HCAs tested except in part with Trp-P-2 nor between the two tester strains. In enzyme kinetic experiments with Salmonella, retinol, vitamins K(3), and K(4) behaved as competitive inhibitors of IQ induced mutagenesis. However, at the highest concentration of menadione (200 nmol/plate) and of riboflavin 5'-phosphate (2000 nmol/plate), non-competitive inhibition was observed. At other concentrations of riboflavin 5'-phosphate and at all concentrations of FAD, meaningful interpretation of enzyme kinetics were not possible. Reduction of the activity of 7

  13. Dissimilatory Fe(III) and Mn(IV) reduction. (United States)

    Lovley, D R


    The oxidation of organic matter coupled to the reduction of Fe(III) or Mn(IV) is one of the most important biogeochemical reactions in aquatic sediments, soils, and groundwater. This process, which may have been the first globally significant mechanism for the oxidation of organic matter to carbon dioxide, plays an important role in the oxidation of natural and contaminant organic compounds in a variety of environments and contributes to other phenomena of widespread significance such as the release of metals and nutrients into water supplies, the magnetization of sediments, and the corrosion of metal. Until recently, much of the Fe(III) and Mn(IV) reduction in sedimentary environments was considered to be the result of nonenzymatic processes. However, microorganisms which can effectively couple the oxidation of organic compounds to the reduction of Fe(III) or Mn(IV) have recently been discovered. With Fe(III) or Mn(IV) as the sole electron acceptor, these organisms can completely oxidize fatty acids, hydrogen, or a variety of monoaromatic compounds. This metabolism provides energy to support growth. Sugars and amino acids can be completely oxidized by the cooperative activity of fermentative microorganisms and hydrogen- and fatty-acid-oxidizing Fe(III) and Mn(IV) reducers. This provides a microbial mechanism for the oxidation of the complex assemblage of sedimentary organic matter in Fe(III)- or Mn(IV)-reducing environments. The available evidence indicates that this enzymatic reduction of Fe(III) or Mn(IV) accounts for most of the oxidation of organic matter coupled to reduction of Fe(III) and Mn(IV) in sedimentary environments. Little is known about the diversity and ecology of the microorganisms responsible for Fe(III) and Mn(IV) reduction, and only preliminary studies have been conducted on the physiology and biochemistry of this process.

  14. SDSS-IV MaNGA: Probing the Kinematic Morphology–Density Relation of Early-type Galaxies with MaNGA (United States)

    Greene, J. E.; Leauthaud, A.; Emsellem, E.; Goddard, D.; Ge, J.; Andrews, B. H.; Brinkman, J.; Brownstein, J. R.; Greco, J.; Law, D.; Lin, Y.-T.; Masters, K. L.; Merrifield, M.; More, S.; Okabe, N.; Schneider, D. P.; Thomas, D.; Wake, D. A.; Yan, R.; Drory, N.


    The “kinematic” morphology–density relation for early-type galaxies posits that those galaxies with low angular momentum are preferentially found in the highest-density regions of the universe. We use a large sample of galaxy groups with halo masses {10}12.5MaNGA) survey to examine whether there is a correlation between local environment and rotational support that is independent of stellar mass. We find no compelling evidence for a relationship between the angular momentum content of early-type galaxies and either local overdensity or radial position within the group at fixed stellar mass.

  15. Influence of day length and temperature on the content of health-related compounds in broccoli (Brassica oleracea L. var. italica). (United States)

    Steindal, Anne Linn Hykkerud; Mølmann, Jørgen; Bengtsson, Gunnar B; Johansen, Tor J


    Vegetables grown at different latitudes are exposed to various temperatures and day lengths, which can affect the content of health- and sensory-related compounds in broccoli florets. A 2 × 2 factorial experiment was conducted under controlled growth conditions, with contrasting temperatures (15/9 and 21/15 °C) and day lengths (12 and 24 h), to investigate the effect on glucosinolates, vitamin C, flavonols, and soluble sugars. Aliphatic glucosinolates, quercetin, and kaempferol were at their highest levels at high temperatures combined with a 12 h day. Levels of total glucosinolates, d-glucose, and d-fructose were elevated by high temperatures. Conversely, the content of vitamin C was highest with a 12 h day length combined with 15/9 °C. Our results indicate that temperature and day length influence the contents of health-related compounds in broccoli florets in a complex way, suggesting no general superiority of any of the contrasting growth conditions.

  16. The Electronic Structure of Lanthanide Impurities in TiO2, ZnO, SnO2, and Related Compounds

    NARCIS (Netherlands)

    Dorenbos, P.


    The vacuum referred binding energy of electrons in the 4fn levels for all divalent and trivalent lanthanide impurity states in TiO2, ZnO, SnO2, and related compounds MTiO3 and MSnO3 (M = Ca2 +, Sr2 +, Ba2 +) and Ca2SnO4 are presented. They are obtained by collecting data from the literature on the

  17. Magnetocaloric effect in “reduced” dimensions: Thin films, ribbons, and microwires of Heusler alloys and related compounds: Magnetocaloric effect in “reduced” dimensions

    Energy Technology Data Exchange (ETDEWEB)

    Khovaylo, Vladimir V. [National University of Science and Technology MISiS, Moscow 119049 Russia; ITMO University, St. Petersburg 197101 Russia; Rodionova, Valeria V. [National University of Science and Technology MISiS, Moscow 119049 Russia; Innovation Park and Institute of Physics & Technology, Immanuel Kant Baltic Federal University, Kaliningrad 236041 Russia; Shevyrtalov, Sergey N. [Innovation Park and Institute of Physics & Technology, Immanuel Kant Baltic Federal University, Kaliningrad 236041 Russia; Novosad, Val [Materials Science Division, Argonne National Laboratory, Argonne IL 60439 USA


    Room temperature magnetic refrigeration is an energy saving and environmentally-friendly technology which has developed rapidly from a basic idea to prototype devices. The performance of magnetic refrigerators crucially depends on the magnetocaloric properties and the geometry of the employed refrigerants. Here we review the magnetocaloric properties of Heusler alloys and related compounds with a high surface to volume ratio such as films, ribbons and microwires, and compare them with their bulk counterparts.

  18. CdTe and related compounds: physics, defects, hetero- and nano-structures, crystal growth, surfaces and applications

    CERN Document Server

    Triboulet, Robert

    Almost thirty years after the remarkable monograph of K. Zanio and the numerous conferences and articles dedicated since that time to CdTe and CdZnTe, after all the significant progresses in that field and the increasing interest in these materials for several extremely attractive industrial applications, such as nuclear detectors and solar cells, the edition of a new enriched and updated monograph dedicated to these two very topical II-VI semiconductor compounds, covering all their most prominent, modern and fundamental aspects, seemed very relevant and useful.

  19. Thermoelectric Properties of Ag-Doped Bi2(Se,Te)3 Compounds: Dual Electronic Nature of Ag-Related Lattice Defects. (United States)

    Lu, Meng-Pei; Liao, Chien-Neng; Huang, Jing-Yi; Hsu, Hung-Chang


    Effects of Ag doping and thermal annealing temperature on thermoelectric transport properties of Bi2(Se,Te)3 compounds are investigated. On the basis of the comprehensive analysis of carrier concentration, Hall mobility, and lattice parameter, we identified two Ag-related interstitial (Agi) and substitutional (AgBi) defects that modulate in different ways the thermoelectric properties of Ag-doped Bi2(Se,Te)3 compounds. When Ag content is less than 0.5 wt %, Agi plays an important role in stabilizing crystal structure and suppressing the formation of donor-like Te vacancy (VTe) defects, leading to the decrease in carrier concentration with increasing Ag content. For the heavily doped Bi2(Se,Te)3 compounds (>0.5 wt % Ag), the increasing concentration of AgBi is held responsible for the increase of electron concentration because formation of AgBi defects is accompanied by annihilation of hole carriers. The analysis of Seebeck coefficients and temperature-dependent electrical properties suggests that electrons in Ag-doped Bi2(Se,Te)3 compounds are subject to a mixed mode of impurity scattering and lattice scattering. A 10% enhancement of thermoelectric figure-of-merit at room temperature was achieved for 1 wt % Ag-doped Bi2(Se,Te)3 as compared to pristine Bi2(Se,Te)3.

  20. The sulphorhodamine (SRB) assay and other approaches to testing plant extracts and derived compounds for activities related to reputed anticancer activity. (United States)

    Houghton, Peter; Fang, Rui; Techatanawat, Isariya; Steventon, Glyn; Hylands, Peter J; Lee, C C


    Since the major approach in searching for potential anticancer agents over the last 50 years has been based on selective cytotoxic effects on mammalian cancer cell lines, cell-based methods for cytotoxicity are described and compared. The sulphorhodamine B (SRB) assay is described in detail as the preferred method and also a novel approach has been developed which is based on the hypothesis that, in some circumstances, the naturally occurring compounds act as prodrugs rather than active compounds in their own right. Consequently, extracts or compounds are pre-incubated with systems modelling metabolic processes in the body before being tested. The methods have been validated using known compounds and Iris tectorum extracts have been shown to be more cytotoxic after treatment with beta-glucosidase. In addition bioassays based on mammalian cells involving antioxidant and upregulation of some cellular self-defence mechanisms are discussed which are related to prevention as well as treatment of cancer. Extracts of Alpinia officinarum induced glutathione-S-transferase (GST) activity in cultured hepatocytes and this was traced to the phenylpropanoids present, especially 1'-acetoxychavicol acetate.

  1. Chemical and serological studies with an iodine-containing synthetic immunological determinant 4-hydroxy-3-iodo-5-nitrophenylacetic acid (NIP) and related compounds (United States)

    Brownstone, A.; Mitchison, N. A.; Pitt-Rivers, R.


    The synthesis and properties of 4-hydroxy-3-iodo-5-nitrophenylacetic acid (NIP) and several related compounds are described. Conjugates of NIP with proteins are prepared from the azide, synthesized from commercial 4-hydroxy-phenylacetic acid. Sera from rabbits and mice immunized with NIP—ovalbumin or NIP—chicken serum globulin bind N131IP-containing compounds, as judged from precipitation of radioactivity by salting-out of immunoglobulins. Homogeneous binding is obtained with N131IP—polylysine, N131IP—ε-amino-n-caproic acid (N131IP—aminocap), and other structurally related haptens; non-homogeneous binding is obtained with N131IP—bovine serum albumin. Binding to salt-precipitated immunoglobulin of N131IP—aminocap, the hapten of choice for this purpose, provides an assay for antibody measurable at concentrations down to at least M-9 serum binding capacity (∼0.1 μg antibody/ml). Structurally related compounds and NIP—protein conjugates competitively inhibit binding of N131IP—aminocap. The inhibitions indicate that the iodine contained in NIP, but not the carrier protein, contributes significantly to the binding site. PMID:5939478

  2. Extended evaluation on the ES-D3 cell differentiation assay combined with the BeWo transport model, to predict relative developmental toxicity of triazole compounds. (United States)

    Li, Hequn; Flick, Burkhard; Rietjens, Ivonne M C M; Louisse, Jochem; Schneider, Steffen; van Ravenzwaay, Bennard


    The mouse embryonic stem D3 (ES-D3) cell differentiation assay is based on the morphometric measurement of cardiomyocyte differentiation and is a promising tool to detect developmental toxicity of compounds. The BeWo transport model, consisting of BeWo b30 cells grown on transwell inserts and mimicking the placental barrier, is useful to determine relative placental transport velocities of compounds. We have previously demonstrated the usefulness of the ES-D3 cell differentiation assay in combination with the in vitro BeWo transport model to predict the relative in vivo developmental toxicity potencies of a set of reference azole compounds. To further evaluate this combined in vitro toxicokinetic and toxicodynamic approach, we combined ES-D3 cell differentiation data of six novel triazoles with relative transport rates obtained from the BeWo model and compared the obtained ranking to the developmental toxicity ranking as derived from in vivo data. The data show that the combined in vitro approach provided a correct prediction for in vivo developmental toxicity, whereas the ES-D3 cell differentiation assay as stand-alone did not. In conclusion, we have validated the combined in vitro approach for developmental toxicity, which we have previously developed with a set of reference azoles, for a set of six novel triazoles. We suggest that this combined model, which takes both toxicodynamic and toxicokinetic aspects into account, should be further validated for other chemical classes of developmental toxicants.

  3. Air sampling and analysis method for volatile organic compounds (VOCs) related to field-scale mortality composting operations. (United States)

    Akdeniz, Neslihan; Koziel, Jacek A; Ahn, Hee-Kwon; Glanville, Thomas D; Crawford, Benjamin P; Raman, D Raj


    In biosecure composting, animal mortalities are so completely isolated during the degradation process that visual inspection cannot be used to monitor progress or the process status. One novel approach is to monitor the volatile organic compounds (VOCs) released by decaying mortalities and to use them as biomarkers of the process status. A new method was developed to quantitatively analyze potential biomarkers--dimethyl disulfide, dimethyl trisulfide, pyrimidine, acetic acid, propanoic acid, 3-methylbutanoic acid, pentanoic acid, and hexanoic acid--from field-scale biosecure mortality composting units. This method was based on collection of air samples from the inside of biosecure composting units using portable pumps and solid phase microextraction (SPME). Among four SPME fiber coatings, 85 microm CAR/PDMS was shown to extract the greatest amount of target analytes during a 1 h sampling time. The calibration curves had high correlation coefficients, ranging from 96 to 99%. Differences between the theoretical concentrations and those estimated from the calibration curves ranged from 1.47 to 20.96%. Method detection limits of the biomarkers were between 11 pptv and 572 ppbv. The applicability of the prepared calibration curves was tested for air samples drawn from field-scale swine mortality composting test units. Results show that the prepared calibration curves were applicable to the concentration ranges of potential biomaker compounds in a biosecure animal mortality composting unit.

  4. S-aryl-L-cysteine sulphoxides and related organosulphur compounds alter oral biofilm development and AI-2-based cell-cell communication. (United States)

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


    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.

  5. Variation in volatile compounds from tansy (Tanacetum vulgare L.) related to genetic and morphological differences of genotypes. (United States)

    Keskitalo; Pehu; Simon


    Air-dried flower heads of 20 Finnish tansy genotypes were extracted with petroleum ether and analyzed using GC-MS. A total of 55 volatile compounds were detected, and 53 were identified. Of the tansy genotypes studied, 15 were well defined and five were mixed chemotypes. Complete linkage analysis differentiated the populations into six clusters. The most frequently found monoterpene was camphor with or without several satellite compounds such as camphene, 1,8-cineole, pinocamphone, chrysanthenyl acetate, bornyl acetate and isobornyl acetate. In 13 genotypes, camphor concentration exceeded 18.5% and in seven genotypes, camphor was less than 7.2%. Other chemotypes rich in trans thujone, artemisia ketone, 1,8-cineole, or davadone-D were also identified. Davadone-D and a mixed chemotype, containing tricyclene and myrcene, were identified from a Finnish tansy for the first time. Geographically, most chemotypes containing camphor originated from Central Finland, whereas chemotypes without camphor such as artemisia ketone, davadone D and myrcene-tricyclene originated from South or Southwest Finland. Morphologically, the 20 tansy chemotypes based on the groups formed from complete linkage cluster analysis, were compared. The group containing the highest concentration of camphor chemotypes had the tallest shoots. The groups consisting from chemotypes containing davadone-D or artemisia ketone, which originated from Southwest Finland, produced the highest number of flower heads, had the tallest corymb, and were last to flower. Also, the group consisting from chemotypes with a high concentration of camphor and originated from South Finland started to flower late. The correlation between the genetic distance matrices based on RAPD patterns reported previously (Keskitalo et al., 1998. Theo. Appl. Genet. 96, 1141-1150.) and the chemical distance matrices of the present study of the same tansy genotypes was highly significant (0.41, P<0.0001).

  6. Rapid evaluation technique to differentiate mushroom disease-related moulds by detecting microbial volatile organic compounds using HS-SPME-GC-MS. (United States)

    Radványi, Dalma; Gere, Attila; Jókai, Zsuzsa; Fodor, Péter


    Headspace solid-phase microextraction (HS-SPME) coupled with gas chromatography-mass spectrometry (GC-MS) was used to analyse microbial volatile organic compounds (MVOCs) of mushroom disease-related microorganisms. Mycogone perniciosa, Lecanicillum fungicola var. fungicola, and Trichoderma aggressivum f. europaeum species, which are typically harmful in mushroom cultivation, were examined, and Agaricus bisporus (bisporic button mushroom) was also examined as a control. For internal standard, a mixture of alkanes was used; these were introduced as the memory effect of primed septa in the vial seal. Several different marker compounds were found in each sample, which enabled us to distinguish the different moulds and the mushroom mycelium from each other. Monitoring of marker compounds enabled us to investigate the behaviour of moulds. The records of the temporal pattern changes were used to produce partial least squares regression (PLS-R) models that enabled determination of the exact time of contamination (the infection time of the media). Using these evaluation techniques, the presence of mushroom disease-related fungi can be easily detected and monitored via their emitted MVOCs.

  7. Application of natural blends of phytochemicals derived from the root exudates of Arabidopsis to the soil reveal that phenolic-related compounds predominantly modulate the soil microbiome. (United States)

    Badri, Dayakar V; Chaparro, Jacqueline M; Zhang, Ruifu; Shen, Qirong; Vivanco, Jorge M


    The roots of plants have the ability to influence its surrounding microbiology, the so-called rhizosphere microbiome, through the creation of specific chemical niches in the soil mediated by the release of phytochemicals. Here we report how these phytochemicals could modulate the microbial composition of a soil in the absence of the plant. For this purpose, root exudates of Arabidopsis were collected and fractionated to obtain natural blends of phytochemicals at various relative concentrations that were characterized by GC-MS and applied repeatedly to a soil. Soil bacterial changes were monitored by amplifying and pyrosequencing the 16 S ribosomal small subunit region. Our analyses reveal that one phytochemical can culture different operational taxonomic units (OTUs), mixtures of phytochemicals synergistically culture groups of OTUs, and the same phytochemical can act as a stimulator or deterrent to different groups of OTUs. Furthermore, phenolic-related compounds showed positive correlation with a higher number of unique OTUs compared with other groups of compounds (i.e. sugars, sugar alcohols, and amino acids). For instance, salicylic acid showed positive correlations with species of Corynebacterineae, Pseudonocardineae and Streptomycineae, and GABA correlated with species of Sphingomonas, Methylobacterium, Frankineae, Variovorax, Micromonosporineae, and Skermanella. These results imply that phenolic compounds act as specific substrates or signaling molecules for a large group of microbial species in the soil.

  8. Laboratory and Simulated Field Bioassays to Evaluate Larvicidal Activity of Pinus densiflora Hydrodistillate, Its Constituents and Structurally Related Compounds against Aedes albopictus, Aedes aegypti and Culex pipiens pallens in Relation to Their Inhibitory Effects on Acetylcholinesterase Activity. (United States)

    Lee, Dong Chan; Ahn, Young-Joon


    The toxicity of Pinus densiflora (red pine) hydrodistillate, its 19 constituents and 28 structurally related compounds against early third-instar larvae of Aedes albopictus (Ae. albopictus), Aedes aegypti (Ae. aegypti) and Culex pipiens palles (Cx. p. pallens) was examined using direct-contact bioassays. The efficacy of active compounds was further evaluated in semi-field bioassays using field-collected larval Cx. p. pallens. Results were compared with those of two synthetic larvicides, temephos and fenthion. In laboratory bioassays, Pinus densiflora hydrodistillate was found to have 24 h LC50 values of 20.33, 21.01 and 22.36 mg/L against larval Ae. albopictus, Ae. aegypti and Cx. p. pallens respectively. Among the identified compounds, thymol, δ-3-carene and (+)-limonene exhibited the highest toxicity against all three mosquito species. These active compounds were found to be nearly equally effective in field trials as well. In vitro bioassays were conducted to examine the acetylcholinesterase (AChE) inhibitory activity of 10 selected compounds. Results showed that there is a noticeable correlation between larvicidal activity and AChE inhibitory activity. In light of global efforts to find alternatives for currently used insecticides against disease vector mosquitoes, Pinus densiflora hydrodistillate and its constituents merit further research as potential mosquito larvicides.

  9. Laboratory and Simulated Field Bioassays to Evaluate Larvicidal Activity of Pinus densiflora Hydrodistillate, Its Constituents and Structurally Related Compounds against Aedes albopictus, Aedes aegypti and Culex pipiens pallens in Relation to Their Inhibitory Effects on Acetylcholinesterase Activity

    Directory of Open Access Journals (Sweden)

    Young-Joon Ahn


    Full Text Available The toxicity of Pinus densiflora (red pine hydrodistillate, its 19 constituents and 28 structurally related compounds against early third-instar larvae of Aedes albopictus (Ae. albopictus, Aedes aegypti (Ae. aegypti and Culex pipiens palles (Cx. p. pallens was examined using direct-contact bioassays. The efficacy of active compounds was further evaluated in semi-field bioassays using field-collected larval Cx. p. pallens. Results were compared with those of two synthetic larvicides, temephos and fenthion. In laboratory bioassays, Pinus densiflora hydrodistillate was found to have 24 h LC50 values of 20.33, 21.01 and 22.36 mg/L against larval Ae. albopictus, Ae. aegypti and Cx. p. pallens respectively. Among the identified compounds, thymol, δ-3-carene and (+-limonene exhibited the highest toxicity against all three mosquito species. These active compounds were found to be nearly equally effective in field trials as well. In vitro bioassays were conducted to examine the acetylcholinesterase (AChE inhibitory activity of 10 selected compounds. Results showed that there is a noticeable correlation between larvicidal activity and AChE inhibitory activity. In light of global efforts to find alternatives for currently used insecticides against disease vector mosquitoes, Pinus densiflora hydrodistillate and its constituents merit further research as potential mosquito larvicides.

  10. Complexes of Ge(IV)- and Sn(IV)-fluorides with cyclic and acyclic carbenes: bis(dialkylamino)-difluoromethylenes as carbene sources. (United States)

    Böttcher, Tobias; Bassil, Bassem S; Röschenthaler, Gerd-Volker


    Carbene complexes of Ge(IV)- and Sn(IV)-fluorides have been synthesized by oxidative addition of 2,2-difluoro-1,3-dimethylimidazolidine and bis(dimethylamino)difluoromethane to GeCl(2)•dioxane and SnF(2). Chloride analogs of the Ge(IV) complexes were also isolated. All compounds were characterized in the solid state by single-crystal X-ray diffraction.

  11. Synthesis by two methods and crystal structure determination of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7}

    Energy Technology Data Exchange (ETDEWEB)

    Torres-Martinez, Leticia M., E-mail: [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Ruiz-Gomez, Miguel A. [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); Figueroa-Torres, M.Z.; Juarez-Ramirez, Isaias [Departamento de Ecomateriales y Energia, Facultad de Ingenieria Civil, Universidad Autonoma de Nuevo Leon, Cd. Universitaria, San Nicolas de los Garza, Nuevo Leon 66450 (Mexico); Moctezuma, Edgar [Facultad de Ciencias Quimicas, Universidad Autonoma de San Luis Potosi, Av. Manuel Nava 6, San Luis Potosi, S.L.P. 78290 (Mexico); and others


    Graphical abstract: The monoclinic (space group C2/c) structure of a new compound, Sm{sub 2}FeTaO{sub 7} shows an alternating Sm-O and Fe/Ta-O layers. In the Fe/Ta-O layer, Fe/Ta1 and Fe/Ta3 cations are coordinated by six oxygen atoms, forming irregular octahedral interconnected into a hexagonal tungsten bronze (HTB) type network. The HTB layer is a fundamental framework in the pyrohlore-related structure. Highlights: Black-Right-Pointing-Pointer Pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} prepared by solid state reaction and sol-gel. Black-Right-Pointing-Pointer Sm{sub 2}FeTaO{sub 7} crystallizes with a monoclinic crystal structure and space group C2/c. Black-Right-Pointing-Pointer The compound is synthesized by sol-gel at lower temperature and time than solid state. Black-Right-Pointing-Pointer Surface area of sol-gel Sm{sub 2}FeTaO{sub 7} is 10 times higher than that prepared by solid state. - Abstract: This paper reports on the synthesis of a new pyrochlore-related compound Sm{sub 2}FeTaO{sub 7} by both solid state reaction and sol-gel synthesis routes. Structural features were determined by X-ray powder diffraction and Rietveld refinement and were corroborated using Transmission Electron Microscopy (TEM). The results revealed that Sm{sub 2}FeTaO{sub 7} crystallized in the monoclinic system with space group C2/c and the following cell parameters: a = 13.1307(5) Angstrom-Sign , b = 7.5854(3) Angstrom-Sign , c = 11.6425(4) Angstrom-Sign and {beta} = 100.971(2) Degree-Sign . The monoclinic structure of Sm{sub 2}FeTaO{sub 7} showed an arrangement of alternating Sm-O and Fe/Ta-O layers and two types of irregular octahedra of Fe/Ta-O, which are interconnected into a hexagonal tungsten bronze (HTB)-type network. On the other hand, Sm{sub 2}FeTaO{sub 7} prepared by sol-gel was obtained with lower particle sizes than the solid state produced compound. The difference in particle size causes a difference of one order of magnitude in the specific surface area. In

  12. Pembuatan Aplikasi Salesforce Automation System Pada Toko IV Berbasis Android


    Soenaryo, Soen, Surya; Yulia, Yulia; Palit, Henry Novianus


    Currently, the information system that was recently implemented in IV shop worked well in the long term for administration purpose. Meanwhile, IV shop still lacks any supporting application for their front-end sales department, which has direct contact with customer in daily basis.The fact that IV shop sells various car-related products with various brands troubles their salespeople because they have to learn and understand each product's uniqueness. In addition, occasionally, there are commu...

  13. Water to atmosphere fluxes of {sup 131}I in relation with alkyl-iodide compounds from the Seine Estuary (France)

    Energy Technology Data Exchange (ETDEWEB)

    Connan, Olivier [Laboratoire de Radioecologie de Cherbourg-Octeville, Institut de Radioprotection et de Surete nucleaire (IRSN), Service d' Etudes et du Comportement des Radionucleides dans l' Environnement (SECRE), rue Max Pol Fouchet, 50130 Cherbourg-Octeville (France)], E-mail:; Tessier, Emmanuel [Laboratoire de Chimie Analytique et Bio-Inorganique et Environnement, UMR CNRS universite de Pau et des Pays de l' Adour, Helioparc Pau Pyrenees, 2 Avenue Pierre Angot, 64053 Pau Cedex 9 (France); Maro, Denis [Laboratoire de Radioecologie de Cherbourg-Octeville, Institut de Radioprotection et de Surete nucleaire (IRSN), Service d' Etudes et du Comportement des Radionucleides dans l' Environnement (SECRE), rue Max Pol Fouchet, 50130 Cherbourg-Octeville (France); Amouroux, David [Laboratoire de Chimie Analytique et Bio-Inorganique et Environnement, UMR CNRS universite de Pau et des Pays de l' Adour, Helioparc Pau Pyrenees, 2 Avenue Pierre Angot, 64053 Pau Cedex 9 (France); Hebert, Didier; Rozet, Marianne; Voiseux, Claire; Solier, Luc [Laboratoire de Radioecologie de Cherbourg-Octeville, Institut de Radioprotection et de Surete nucleaire (IRSN), Service d' Etudes et du Comportement des Radionucleides dans l' Environnement (SECRE), rue Max Pol Fouchet, 50130 Cherbourg-Octeville (France)


    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 {sup 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{sup -2} d{sup -1} and between 1279 and 16484 pmol m{sup -2} d{sup -1}, respectively. Water to air flux of TVI for the Seine river was estimated in the range 4-46 kg y{sup -1}. Measurements of {sup 131}I in water varying between 0.4 and 11.9 Bq m{sup -3}. Fluxes of {sup 131}I from water to atmosphere are in the range 2.4 x 10{sup 5}-1.3 x 10{sup 7} Bq y{sup -1}, close to an annual discharge of {sup 131}I by a nuclear reactor.


    Opie, Eugene L.


    The peritoneal, like the pleural cavity, gives opportunity to measure with adequate accuracy the activity of inflammatory reactions defined by movement of fluid within the cavity, by migration of leucocytes into it, and by exudation of proteins from the plasma. The activity of inflammatory reactions caused by saccharides or by alcohols that were tested varied in accord with their molecular weight, the osmotic pressure maintained by solutions of corresponding concentration, their boiling point, or by other colligative properties. Blood serum or globulin in the concentration with which it occurs in blood serum injected into the peritoneal cavity caused changes which differed little from those caused by physiological salt solution. Protein with molecular weight as low as that of cytochrome C (12,000) or ovalbumin (45,000) when in dilute solution (1 per cent) were rapidly absorbed, whereas trypsin and chymotrypsin under the same conditions caused very active inflammatory reactions because they set free amino acids and perhaps polypeptides with amino acids in short chains. The activity of inflammatory reactions caused by carbon compounds soluble in body fluids varied in accord with their colligative properties. PMID:14276772

  15. Effect of salicylic acid on phenolic compounds related to date palm resistance to Fusarium oxysporum f.sp. albedinis

    Directory of Open Access Journals (Sweden)

    A. Dihazi


    Full Text Available Salicylic acid (SA plays a key role in establishing resistance to pathogens in many plants. To study the possible involvement of SA in the resistance of date palm (Phoenix dactylifera L. to Fusarium oxysporum f. sp. albedinis (FOA, we investigated levels of phenolic compounds, known as indicators of resistance in the date palm/ Fusarium pathosystem. After treatment with SA the content of root soluble phenolics in F. oxysporum inoculated date palm seedlings was about 4 times higher in cv. Bousthami noir and 6 times higher in cv. Jihel than that in untreated plants showing disease symptoms. The largest increase was at a SA concentration of 50 µM. SA treatment also enhanced the content of cell wall phenolics. In addition, inoculation of SA-treated roots of date palm with FOA (strain ZAG resulted in a greater number of plants showing only limited hypersensitive reaction-like necrotic lesions. In contrast, SA-untreated plants normally showed spreading necrosis in response to fungus inoculation.

  16. Variability of Phenolic and Volatile Compounds in Virgin Olive Oil from Leccino and Istarska Bjelica Cultivars in Relation to Their Fruit Mixtures

    Directory of Open Access Journals (Sweden)

    Olivera Koprivnjak


    Full Text Available Phenolic and volatile compounds are closely related to valuable gastronomic and nutritional properties, as well as oxidative stability of virgin olive oil. Since biochemical synthesis and transformation of these compounds during olive processing depend on the activity of endogenous enzymes, which are partially influenced by genetic factors, mixtures of different cultivars could have either a synergistic or antagonistic effect on phenolic and volatile compounds in the resulting oil. In this context, two specific cultivars from the Istrian peninsula, Leccino (L and Istarska bjelica (B, were selected. Two monovarietal fruit samples (L100 and B100 and four mixtures in the following mass ratios: L/B=80:20, L/B=60:40, L/B=40:60 and L/B=20:80 were prepared. The mass fraction of total phenols was determined colourimetrically, while C6 and C5 volatiles from lipoxygenase pathway were determined by headspace solid-phase microextraction-gas chromatography. Mass fraction of total phenols in the oil samples from fruit mixtures changed linearly from (199.5±7.2 in Leccino to (642.0±61.7 mg/kg in Istarska bjelica, in a strict correlation with fruit mass ratio of the two cultivars. Leccino monovarietal samples had statistically higher values (p≤0.05 of C6 aldehydes ((15.32±1.69 vs. (10.91±0.62 mg/kg and C6 alcohols ((2.96±0.98 vs. (0.17±0.05 mg/kg, but lower values of C5 compounds ((0.77±0.12 vs. (0.96±0.05 mg/kg compared to Istarska bjelica samples. Volatiles having a direct contribution to the oil aroma (odour activity value >1.0 were 1-penten-3-one (84–201, E-2-hexenal (26–42, hexanal (1.8–2.4 and Z-2-penten-1-ol (1.3–2.6. A significant synergistic effect was observed for C6 aldehydes in the case of L/B=40:60 fruit mixture. The addition of Istarska bjelica to Leccino fruits caused a significant antagonistic effect on C6 alcohols, but no significant deviations from the expected values were found in the case of C6 esters and C5 compounds

  17. Immunohistochemical investigation of alpha1 (IV) and alpha5 (IV) collagen chains in a broad spectrum of melanocytic tumours. (United States)

    Quatresooz, Pascale; Piérard, Gérald E


    Cells of melanocytic naevi and cutaneous malignant melanomas (MM) are surrounded by a basement membrane (BM). To scrutinize any difference between the deposits of alpha1 (IV) and alpha5 (IV) collagen chains in melanocytic naevi and MM. A total of 27 common melanocytic naevi, 11 dysplastic naevi, 21 atypical naevi (melanocytomas) including Spitz and non-Spitz types, as well as 24 MM were studied. Their phenotypic and functional characteristics defined by immunohistochemistry using a panel of antibodies, including those directed to the alpha1 (IV), alpha3 (IV) and alpha5 (IV) collagen chains. Almost all naevi and half the melanocytomas exhibited a strong positivity for the alpha1 (IV) collagen chain. By contrast, the remaining melanocytomas and MM presented a heterogeneous staining pattern for the alpha1 (IV) collagen chain. One third of the naevi, 23% of the MM without cutaneous micrometastasis and 83% of MM with cutaneous micrometastasis showed discrete cytoplasmic positivity for the alpha5 (IV) collagen chain. All other melanocytic tumours were negative for this antibody. Rare MM cells in transepidermal migration were stained with the anti-alpha1 (IV) or alpha5 (IV) collagen chain antibodies. No immunoreactivity for the alpha3 (IV) collagen chain was disclosed in any of the samples. We report the expression of alpha1 (IV) and alpha5 (IV) collagen chains in naevi and MM. The inconsistent staining pattern for alpha1 (IV) collagen chain in phenotypically atypical melanocytomas and in MM highlight the heterogeneity in both cell differentiation and stroma-tumour interactions. This biological aspect may be related to neoplastic progression and influence metastatic potential.

  18. Spontaneous and Dosing Route-related Lung Lesions in Beagle Dogs from Oral Gavage and Inhalation Toxicity Studies: Differentiation from Compound-induced Lesions. (United States)

    Mukaratirwa, Sydney; Garcia, Begonya; Isobe, Kaori; Petterino, Claudio; Bradley, Alys


    This study was conducted to characterize lung microscopic lesions in control beagle dogs from inhalation and oral gavage toxicity studies, to determine differences associated with the route of administration, and to discuss distinguishing features from compound-induced lung lesions. Samples from 138 control dogs from oral gavage studies and 124 control dogs from inhalation (vehicle control) studies were evaluated microscopically. There was no significant sex-related difference in the incidence of all lesions. Perivascular mononuclear cell infiltration, centriacinar mixed cell infiltration, bronchopneumonia, subpleural septal fibrosis, and alveolar macrophage accumulation were the most common lesions. Aspiration pneumonia was more common in dogs from gavage studies, suggesting reflux after gavage dosing or accidental administration of test formulation as possible causes. Centriacinar mixed cell infiltration was more common in dogs from inhalation studies, suggesting mild irritation by the vehicles used. Vascular lesions, which included pulmonary arteriopathy and smooth muscle mineralization, were observed in a few animals. Some of the spontaneous lesions are similar to lesions induced by test compounds. Compared to spontaneous lesions, compound-induced lesions tend to be multifocal or diffuse, follow a pattern of distribution (e.g., centriacinar, perivascular, and interstitial), show a dose response in the incidence and severity, and may show cell-specific toxicity. © The Author(s) 2016.

  19. The Mechanism of Melanocytes-Specific Cytotoxicity Induced by Phenol Compounds Having a Prooxidant Effect, relating to the Appearance of Leukoderma

    Directory of Open Access Journals (Sweden)

    Takeshi Nagata


    Full Text Available Specific phenol compounds including rhododendrol (RD, a skin-brightening ingredient in cosmetics, are reported to induce leukoderma, inducing a social problem, and the elucidation of mechanism of leukoderma is strongly demanded. This study investigated the relationship among the cytotoxicities of six phenol compounds on B16F10 melanoma cells and HaCaT keratinocytes and generated reactive oxygen species (ROS. As a result, the cytotoxicity of RD on B16F10 cells was higher than that on HaCaT cells, and RD significantly increased intracellular ROS and hydrogen peroxide (H2O2 levels in B16F10 cells. Furthermore, although raspberry ketone (RK, RD derivative, also increased intracellular ROS in B16F10 cells, increase in ROS was suppressed by disodium dihydrogen ethylenediaminetetraacetate dehydrate (EDTA. The amounts of increased ROS with RK in HaCaT cells without melanocyte were further increased by tyrosinase. Therefore, tyrosinase, a metalloprotein having copper, was speculated to be one of causative agents allowing phenol compounds to work as a prooxidant. Hydroxyl radical was generated by adding a mixture of tyrosinase and H2O2 to RD, and the amount of the radical was further increased by UVB, indicating that RD cytotoxicity was caused by intracellularly increased ROS, which possibly related to phenol induced prooxidants.

  20. Platinum (IV) coiled coil nanotubes selectively kill human glioblastoma cells. (United States)

    Thanasupawat, Thatchawan; Bergen, Hugo; Hombach-Klonisch, Sabine; Krcek, Jerry; Ghavami, Saeid; Del Bigio, Marc R; Krawitz, Sherry; Stelmack, Gerald; Halayko, Andrew; McDougall, Matthew; Meier, Markus; Stetefeld, Jörg; Klonisch, Thomas


    Malignant glioma are often fatal and pose a significant therapeutic challenge. Here we have employed α-helical right handed coiled coils (RHCC) which self-assemble into tetrameric nanotubes that stably associate with platinum (Pt) (IV) compound. This Pt(IV)-RHCC complex showed superior in vitro and in vivo toxicity in human malignant glioma cells at up to 5 fold lower platinum concentrations when compared to free Pt(IV). Pt(IV)-RHCC nanotubes activated multiple cell death pathways in GB cells without affecting astrocytes in vitro or causing damage to normal mouse brain. This Pt(IV)-RHCC nanotubes may serve as a promising new therapeutic tool for low dose Pt(IV) prodrug application for highly efficient and selective treatment of human brain tumors. The prognosis of malignant glioma remains poor despite medical advances. Platinum, one of the chemotherapeutic agents used, has significant systemic side effects. In this article, the authors employed α-helical right handed coiled coil (RHCC) protein nanotubes as a carrier for cisplatin. It was shown that the new compound achieved higher tumor kill rate but lower toxicity to normal cells and thus may hold promise to be a highly efficient treatment for the future. Copyright © 2015 Elsevier Inc. All rights reserved.

  1. Platinum compounds with anti-tumour activity

    NARCIS (Netherlands)

    Plooy, A.C.M.; Lohman, P.H.M.


    Ten platinum (Pt) coordination complexes with different ligands, comprising both Pt(II) and Pt(IV) complexes of which the cis-compounds all possessed at least some anti-tumour activity and the trans-compounds were inactive, were tested as to their effect on cell survival and the induction and repair

  2. Building-Related Symptoms among Office Employees Associated with Indoor Carbon Dioxide and Total Volatile Organic Compounds

    Directory of Open Access Journals (Sweden)

    Chung-Yen Lu


    Full Text Available This study investigated whether sick building syndrome (SBS complaints among office workers were associated with the indoor air quality. With informed consent, 417 employees in 87 office rooms of eight high-rise buildings completed a self-reported questionnaire for symptoms experienced at work during the past month. Carbon dioxide (CO2, temperature, humidity and total volatile organic compounds (TVOCs in each office were simultaneously measured for eight office hours using portable monitors. Time-averaged workday difference between the indoor and the outdoor CO2 concentrations (dCO2 was calculated as a surrogate measure of ventilation efficiency for each office unit. The prevalence rates of SBS were 22.5% for eye syndrome, 15.3% for upper respiratory and 25.4% for non-specific syndromes. Tiredness (20.9%, difficulty in concentrating (14.6%, eye dryness (18.7% were also common complaints. The generalized estimating equations multivariate logistic regression analyses showed that adjusted odds ratios (aORs and 95% confidence interval (CI per 100 ppm increase in dCO2 were significantly associated with dry throat (1.10, 95% CI = (1.00–1.22, tiredness (1.16, 95% CI = (1.04–1.29 and dizziness (1.22, 95% CI = (1.08–1.37. The ORs for per 100 ppb increases in TVOCs were also associated with upper respiratory symptoms (1.06, 95% CI = (1.04–1.07, dry throat (1.06, 95% CI = (1.03–1.09 and irritability (1.02, 95% CI = (1.01–1.04. In conclusion, the association between some SBS symptoms and the exposure to CO2 and total VOCs are moderate but may be independently significant.

  3. Distribution of Major Chlorogenic Acids and Related Compounds in Brazilian Green and Toasted Ilex paraguariensis (Maté) Leaves. (United States)

    Lima, Juliana de Paula; Farah, Adriana; King, Benjamin; de Paulis, Tomas; Martin, Peter R


    Ilex paraguariensis (maté) is one of the best sources of chlorogenic acids (CGA) in nature. When leaves are toasted, some isomers are partly transformed into 1,5-γ-quinolactones (CGL). Both CGA and CGL are important contributors to the brew's flavor and are thought to contribute to human health. In this study, we quantified 9 CGA, 2 CGL, and caffeic acid in 20 samples of dried green and toasted maté that are commercially available in Brazil. Total CGA content in green maté varied from 8.7 to 13.2 g/100 g, dry weight (dw). Caffeic acid content varied from 10.8 to 13.5 mg/100 g dw, respectively. Content in toasted maté varied from 1.5 to 4.6 g/100 g and from 1.5 to 7.2 mg/100 g dw, respectively. Overall, caffeoylquinic acid isomers (CQA) were the most abundant CGA in both green and toasted maté, followed by dicaffeoylquinic acids (diCQA) and feruloylquinic acids (FQA). These classes accounted for 58.5%, 40.0%, and 1.5% of CGA, respectively, in green maté and 76.3%, 20.7%, and 3.0%, respectively, in toasted maté. Average contents of 3-caffeoylquinolactone (3-CQL) and 4-caffeoylquinolactone (4-CQL) in commercial toasted samples were 101.5 mg/100 g and 61.8 mg/100 g dw, respectively. These results show that, despite overall losses during the toasting process, CGA concentrations are still substantial in toasted leaves, compared to other food sources of CGA and phenolic compounds in general. In addition to evaluating commercial samples, investigation of changes in CGA profile and formation of 1,5-γ-quinolactones was performed in experimental maté toasting.

  4. Building-Related Symptoms among Office Employees Associated with Indoor Carbon Dioxide and Total Volatile Organic Compounds. (United States)

    Lu, Chung-Yen; Lin, Jia-Min; Chen, Ying-Yi; Chen, Yi-Chun


    This study investigated whether sick building syndrome (SBS) complaints among office workers were associated with the indoor air quality. With informed consent, 417 employees in 87 office rooms of eight high-rise buildings completed a self-reported questionnaire for symptoms experienced at work during the past month. Carbon dioxide (CO2), temperature, humidity and total volatile organic compounds (TVOCs) in each office were simultaneously measured for eight office hours using portable monitors. Time-averaged workday difference between the indoor and the outdoor CO2 concentrations (dCO2) was calculated as a surrogate measure of ventilation efficiency for each office unit. The prevalence rates of SBS were 22.5% for eye syndrome, 15.3% for upper respiratory and 25.4% for non-specific syndromes. Tiredness (20.9%), difficulty in concentrating (14.6%), eye dryness (18.7%) were also common complaints. The generalized estimating equations multivariate logistic regression analyses showed that adjusted odds ratios (aORs) and 95% confidence interval (CI) per 100 ppm increase in dCO2 were significantly associated with dry throat (1.10, 95% CI=(1.00-1.22)), tiredness (1.16, 95% CI=(1.04-1.29)) and dizziness (1.22, 95% CI=(1.08-1.37)). The ORs for per 100 ppb increases in TVOCs were also associated with upper respiratory symptoms (1.06, 95% CI=(1.04-1.07)), dry throat (1.06, 95% CI=(1.03-1.09)) and irritability (1.02, 95% CI=(1.01-1.04)). In conclusion, the association between some SBS symptoms and the exposure to CO2 and total VOCs are moderate but may be independently significant.

  5. Dioxobridged complexes of molybdenum (IV) and tungsten (IV) with ...

    Indian Academy of Sciences (India)

    Abstract. Six new dioxobridged complexes of molybdenum (IV) and tungsten (IV) with N-alkylphenothiazines having the general formula M2O4(L)2(H2O)2 [where M = molybdenum or tungsten and L = N-alkylphenothiazines] have been synthesised. The complexes have been characterised on the basis of analytical, molar ...

  6. Determination of steroid hormones and related compounds in filtered and unfiltered water by solid-phase extraction, derivatization, and gas chromatography with tandem mass spectrometry (United States)

    Foreman, William T.; Gray, James L.; ReVello, Rhiannon C.; Lindley, Chris E.; Losche, Scott A.; Barber, Larry B.


    A new analytical method has been developed and implemented at the U.S. Geological Survey National Water Quality Laboratory that determines a suite of 20 steroid hormones and related compounds in filtered water (using laboratory schedule 2434) and in unfiltered water (using laboratory schedule 4434). This report documents the procedures and initial performance data for the method and provides guidance on application of the method and considerations of data quality in relation to data interpretation. The analytical method determines 6 natural and 3 synthetic estrogen compounds, 6 natural androgens, 1 natural and 1 synthetic progestin compound, and 2 sterols: cholesterol and 3--coprostanol. These two sterols have limited biological activity but typically are abundant in wastewater effluents and serve as useful tracers. Bisphenol A, an industrial chemical used primarily to produce polycarbonate plastic and epoxy resins and that has been shown to have estrogenic activity, also is determined by the method. A technique referred to as isotope-dilution quantification is used to improve quantitative accuracy by accounting for sample-specific procedural losses in the determined analyte concentration. Briefly, deuterium- or carbon-13-labeled isotope-dilution standards (IDSs), all of which are direct or chemically similar isotopic analogs of the method analytes, are added to all environmental and quality-control and quality-assurance samples before extraction. Method analytes and IDS compounds are isolated from filtered or unfiltered water by solid-phase extraction onto an octadecylsilyl disk, overlain with a graded glass-fiber filter to facilitate extraction of unfiltered sample matrices. The disks are eluted with methanol, and the extract is evaporated to dryness, reconstituted in solvent, passed through a Florisil solid-phase extraction column to remove polar organic interferences, and again evaporated to dryness in a reaction vial. The method compounds are reacted with

  7. Use of the ES-D3 cell differentiation assay, combined with the BeWo transport model, to predict relative in vivo developmental toxicity of antifungal compounds. (United States)

    Li, Hequn; Rietjens, Ivonne M C M; Louisse, Jochem; Blok, Martine; Wang, Xinyi; Snijders, Linda; van Ravenzwaay, Bennard


    We investigated the applicability of the ES-D3 cell differentiation assay combined with the in vitro BeWo transport model to predict the relative in vivo developmental toxicity potencies. To this purpose, the in vitro developmental toxicity of five antifungal compounds was investigated by characterizing their inhibitory effect on the differentiation of ES-D3 cells into cardiomyocytes. The BeWo transport model, consisting of BeWo b30 cells grown on transwell inserts and mimicking the placental barrier, was used to determine the relative placental transport velocity. The ES-D3 cell differentiation data were first compared to benchmark doses (BMDs) for in vivo developmental toxicity as derived from data reported in the literature. Correlation between the benchmark concentration for 50% effect (BMCd50) values, obtained in the ES-D3 cell differentiation assay, with in vivo BMD10 values showed a reasonable correlation (R(2)=0.57). When the ES-D3 cell differentiation data were combined with the relative transport rates obtained from the BeWo model, the correlation with the in vivo data increased (R(2)=0.95). In conclusion, we show that the ES-D3 cell differentiation assay is able to better predict the in vivo developmental toxicity ranking of antifungal compounds when combined with the BeWo transport model, than as a stand-alone assay. Copyright © 2014 Elsevier Ltd. All rights reserved.

  8. Apolipoprotein A-IV: a protein intimately involved in metabolism


    Wang, Fei; Kohan, Alison B.; Lo, Chun-Min; Liu, Min; Howles, Philip; Tso, Patrick


    The purpose of this review is to summarize our current understanding of the physiological roles of apoA-IV in metabolism, and to underscore the potential for apoA-IV to be a focus for new therapies aimed at the treatment of diabetes and obesity-related disorders. ApoA-IV is primarily synthesized by the small intestine, attached to chylomicrons by enterocytes, and secreted into intestinal lymph during fat absorption. In circulation, apoA-IV is associated with HDL and chylomicron remnants, but ...

  9. Comparison of the vasodilator responses of isolated human and rat middle meningeal arteries to migraine related compounds

    NARCIS (Netherlands)

    G. Grände (Gustaf); S. Labruijere (Sieneke); K.A. Haanes (Kristian Agmund); A. Maassen van den Brink (Antoinette); L. Edvinsson (Lars)


    textabstractBackground: Migraine attacks occur spontaneously in those who suffer from the condition, but migraine-like attacks can also be induced artificially by a number of substances. Previously published evidence makes the meninges a likely source of migraine related pain. This article

  10. Analysis of Nicotine and Nicotine-Related Compounds in Electronic Cigarette Liquids and Aerosols by Liquid Chromatography-Tandem Mass Spectrometry

    Directory of Open Access Journals (Sweden)

    Liu Xinyu


    Full Text Available The objective of this study was to develop and validate an analytical method for determining nicotine and nicotine related compounds (i.e., nicotine-N-oxide, cotinine, nornicotine, anatabine, myosmine, anabasine, and β-nicotyrine in e-cigarette aerosols and e-liquids. Aerosol collection was achieved using a Cambridge collection pad. The sample preparation consisted of adding deuterated internal standards to the collection pad and extracting with 100 mM ammonium acetate solution using a wrist-action shaker. The filtrate was then analyzed by LC-MS/MS using a Gemini NX C18 column (3 μm, 150 × 3 mm with a mobile phase gradient system consisting of acetonitrile and 10% acetonitrile in 10 mM ammonium bicarbonate (pH = 8.0 and electrospray ionization (ESI in the positive mode. The e-liquid was analyzed using the same instrumental parameters, but simplifying the sample preparation procedure by adding deuterated internal standards directly to the 100-mg sample. The sample was then extracted with 100 mM ammonium acetate solution, sonicated, and filtered. In this study, the method’s accuracy, robustness, and reliability were enhanced by using deuterated analogues of each compound as internal standards and by applying two ion-transition pairs for each compound for the confirmation and quantification. Validation experiments demonstrated good sensitivity, specificity and reproducibility. All the target compound calibrations exhibited satisfactory linearity from 0.050 to 5.0 mg/mL (r2 > 0.995. The average recoveries for e-liquids varied from 85.2% (nicotine-N-oxide to 110% (β-nicotyrine with recoveries for all compounds exhibiting a coefficient of variation (CV < 5.0%. Similarly, the average recoveries for e-cigarette aerosols varied from 87.8% (for nicotine-N-oxide to 111% (for myosmine with all CV < 8.8%. The LOD and LOQ for e-liquids for all target compounds ranged from 0.234 and 0.781 μg/g (cotinine to 1.66 and 5.48 μg/g (nicotine-Noxide. For e

  11. Low-dimensional compounds containing cyano groups. IV. Bis(2,2'-bipyridine-kappa(2)N,N1)(dicyanamido-kappaN')copper(II) perchlorate and mu-dicyanamido-kappa(2)N1:N5-bis[bis(2,2'-bipyridine-kappa(2)N,N')copper(II)] triperchlorate ethanol hemisolvate, complexes with unusual dicyanamide coordination. (United States)

    Potocnák, Ivan; Burcák, Milan; Massa, Werner; Jäger, Lothar


    From reaction mixtures containing the same reagents, the two novel title complexes, with unusual coordination modes of the dicyanamide (dca) ligand, have been prepared. The first compound, [Cu(C(2)N(3))(C(10)H(8)N(2))(2)]ClO(4), represents a relatively rare class of compounds, with the dca ligand coordinated in a monodentate manner. Its structure is formed by the [Cu(bpy)(2)N(CN)(2)](+) complex cation (bpy is 2,2'-bipyridine) and a ClO(4)(-) anion, which does not enter the inner coordination sphere. The Cu centre is five-coordinate within a strongly distorted trigonal bipyramid to two bpy molecules and one dca ligand, which is coordinated through one nitrile N atom in the equatorial plane. The second compound, [Cu(2)(C(2)N(3))(C(10)H(8)N(2))(4)](ClO(4))(3).0.5C(2)H(6)O, contains dca coordinated in the more common bidentate manner, but instead of a chain structure, a unique binuclear complex is formed. The asymmetric unit consists of the [Cu(bpy)(2)N(CN)(2)(bpy)(2)Cu](3+) binuclear complex cation, the charge of which is neutralized by three uncoordinated perchlorate anions, and a half-molecule of ethanol. Both Cu centres in the cation are five-coordinate, adopting a slightly distorted trigonal-bipyramidal environment.

  12. Sinorhizobium meliloti-induced chitinase gene expression in Medicago truncatula ecotype R108-1: a comparison between symbiosis-specific class V and defence-related class IV chitinases. (United States)

    Salzer, Peter; Feddermann, Nadja; Wiemken, Andres; Boller, Thomas; Staehelin, Christian


    The Medicago truncatula (Gaertn.) ecotypes Jemalong A17 and R108-1 differ in Sinorhizobium meliloti-induced chitinase gene expression. The pathogen-inducible class IV chitinase gene, Mtchit 4, was strongly induced during nodule formation of the ecotype Jemalong A17 with the S. meliloti wild-type strain 1021. In the ecotype R108-1, the S. meliloti wild types Sm1021 and Sm41 did not induce Mtchit 4 expression. On the other hand, expression of the putative class V chitinase gene, Mtchit 5, was found in roots of M. truncatula cv. R108-1 nodulated with either of the rhizobial strains. Mtchit 5 expression was specific for interactions with rhizobia. It was not induced in response to fungal pathogen attack, and not induced in roots colonized with arbuscular mycorrhizal (AM) fungi. Elevated Mtchit 5 gene expression was first detectable in roots forming nodule primordia. In contrast to Mtchit 4, expression of Mtchit 5 was stimulated by purified Nod factors. Conversely, Mtchit 4 expression was strongly elevated in nodules formed with the K-antigen-deficient mutant PP699. Expression levels of Mtchit 5 were similarly increased in nodules formed with PP699 and its parental wild-type strain Sm41. Phylogenetic analysis of the deduced amino acid sequences of Mtchit 5 (calculated molecular weight = 41,810 Da, isoelectric point pH 7.7) and Mtchit 4 (calculated molecular weight 30,527 Da, isoelectric point pH 4.9) revealed that the putative Mtchit 5 chitinase forms a separate clade within class V chitinases of plants, whereas the Mtchit 4 chitinase clusters with pathogen-induced class IV chitinases from other plants. These findings demonstrate that: (i) Rhizobium-induced chitinase gene expression in M. truncatula occurs in a plant ecotype-specific manner, (ii) Mtchit 5 is a putative chitinase gene that is specifically induced by rhizobia, and (iii) rhizobia-specific and defence-related chitinase genes are differentially influenced by rhizobial Nod factors and K antigens.

  13. Larvicidal activity of Cnidium monnieri fruit coumarins and structurally related compounds against insecticide-susceptible and insecticide-resistant Culex pipiens pallens and Aedes aegypti. (United States)

    Wang, Zhangqian; Kim, Jun-Ran; Wang, Mo; Shu, Shaohua; Ahn, Young-Joon


    An assessment was made of the toxicity of imperatorin and osthole identified in Cnidium monnieri fruit, 11 related compounds and five insecticides to larvae from insecticide-susceptible Culex pipiens pallens (KS-CP strain) and Aedes aegypti and wild C.p. pallens (YS-CP colony) using a direct-contact mortality bioassay. Results were compared with those of the conventional larvicide temephos. Imperatorin (LC(50) = 3.14 and 2.88 mg L(-1) ) was 1.9-, 3.7- and 4.2-fold and 2.4-, 4.5- and 4.6-fold more toxic than isopimpinellin, isoimperatorin and osthole against susceptible C. p. pallens and A. aegypti larvae respectively. Overall, all of the compounds were less toxic than temephos (0.011 and 0.019 mg L(-1) ). The toxicity of these compounds was virtually identical against larvae from the two Culex strains, even though YS-CP larvae were resistant to fenthion (resistance ratio RR = 390), deltamethrin (RR = 164), cyfluthrin (RR = 14) and temephos (RR = 14). This finding indicates that the coumarins and the insecticides do not share a common mode of action. The structure-activity relationship indicates that the chemical structure and alkoxy substitution and length of the alkoxyl side chain at the C8 position are essential for imparting toxicity. The C. monnieri fruit-derived coumarins and the related coumarins described merit further study as potential insecticides or lead molecules for the control of insecticide-resistant mosquito populations. Copyright © 2012 Society of Chemical Industry.

  14. Painlevé IV coherent states

    Energy Technology Data Exchange (ETDEWEB)

    Bermudez, David, E-mail: [Department of Physics of Complex Systems, Weizmann Institute of Science, Rehovot 76100 (Israel); Departamento de Física, Cinvestav, A.P. 14-740, 07000 México D.F. (Mexico); Contreras-Astorga, Alonso, E-mail: [Department of Mathematics and Actuarial Science, Indiana University Northwest, 3400 Broadway, Gary IN 46408 (United States); Departamento de Física, Cinvestav, A.P. 14-740, 07000 México D.F. (Mexico); Fernández C, David J., E-mail: [Departamento de Física, Cinvestav, A.P. 14-740, 07000 México D.F. (Mexico)


    A simple way to find solutions of the Painlevé IV equation is by identifying Hamiltonian systems with third-order differential ladder operators. Some of these systems can be obtained by applying supersymmetric quantum mechanics (SUSY QM) to the harmonic oscillator. In this work, we will construct families of coherent states for such subset of SUSY partner Hamiltonians which are connected with the Painlevé IV equation. First, these coherent states are built up as eigenstates of the annihilation operator, then as displaced versions of the extremal states, both involving the related third-order ladder operators, and finally as extremal states which are also displaced but now using the so called linearized ladder operators. To each SUSY partner Hamiltonian corresponds two families of coherent states: one inside the infinite subspace associated with the isospectral part of the spectrum and another one in the finite subspace generated by the states created through the SUSY technique. - Highlights: • We use SUSY QM to obtain Hamiltonians with third-order differential ladder operators. • We show that these systems are related with the Painlevé IV equation. • We apply different definitions of coherent states to these Hamiltonians using the third-order ladder operators and some linearized ones. • We construct families of coherent states for such systems, which we called Painlevé IV coherent states.

  15. Development and Validation of a Specific Stability Indicating High Performance Liquid Chromatographic Methods for Related Compounds and Assay of Solifenacin Succinate

    Directory of Open Access Journals (Sweden)

    B. V. Rami Reddy


    Full Text Available Gradient, reverse phase liquid chromatographic methods were developed separately for the related compounds and solifenacin succinate, an active pharmaceutical ingredient used for the treatment of overactive bladder. Gradient LC method was employed for related compounds. The mobile phase-A contains a 0.01 M phosphate buffer pH: 3.5±0.05 with orthophosphoric acid (88% and mobile phase-B contains a mixture of acetonitrile and water in the ratio of 90 : 10(v/v. The flow rate was 1.0 mL/minute, column temperature was kept at 35°C, and detection was monitored at 220 nm. In the developed HPLC method the resolution between solifenacin succinate and its closely eluting impurity, that is, solifenacin N-oxide was found to be greater than 3.0. The drug was subjected to stress conditions such as hydrolysis, oxidation, photolysis, and thermal degradation. Considerable degradation was found to occur in only oxidative stress condition. Degradation product formed during oxidative stress condition was found to be impurity-C and it can be identified by LC-MS. The stress samples were assayed against a qualified reference standard and the mass balance was found close to 99.5%. The developed RP-LC method was validated as per ICH guidelines. We also developed LC-MS/MS method for determination and identification of these impurities in solifenacin succinate.

  16. Fragmentation pathways and structural characterization of organophosphorus compounds related to the Chemical Weapons Convention by electron ionization and electrospray ionization tandem mass spectrometry. (United States)

    Hosseini, Seyed Esmaeil; Saeidian, Hamid; Amozadeh, Ali; Naseri, Mohammad Taghi; Babri, Mehran


    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.

  17. Mass Balance of Fipronil and Total Toxicity of Fipronil-Related Compounds in Process Streams during Conventional Wastewater and Wetland Treatment (United States)


    Attenuation of the pesticide fipronil and its major degradates was determined during conventional wastewater treatment and wetland treatment. Analysis of flow-weighted composite samples by liquid and gas chromatography–tandem mass spectrometry showed fipronil occurrence at 12–31 ng/L in raw sewage, primary effluent, secondary effluent, chlorinated effluent, and wetland effluent. Mean daily loads of total fipronil related compounds in raw sewage and in plant effluent after chlorination were statistically indistinguishable (p = 0.29; n = 10), whereas fipronil itself was partially removed (25 ± 3%; p = 0.00025; n = 10); the associated loss in toxicity was balanced by the formation of toxic fipronil degradates, showing conventional treatment to be unfit for reducing overall toxicity. In contrast to these findings at the municipal wastewater treatment, both parental fipronil and the sum of fipronil-related compounds were removed in the wetland with efficiencies of 44 ± 4% and 47 ± 13%, respectively. Total fipronil concentrations in plant effluent (28 ± 6 ng/L as fipronil) were within an order of magnitude of half-maximal effective concentrations (EC50) of nontarget invertebrates. This is the first systematic assessment of the fate of fipronil and its major degradates during full-scale conventional wastewater and constructed wetland treatment. PMID:26710933

  18. Changes in Soluble-N in Forest and Pasture Soils after Repeated Applications of Tannins and Related Phenolic Compounds

    Directory of Open Access Journals (Sweden)

    Jonathan J. Halvorson


    Full Text Available Tannins (produced by plants can reduce the solubility of soil-N. However, comparisons of tannins to related non-tannins on different land uses are limited. We extracted soluble-N from forest and pasture soils (0–5 cm with repeated applications of water (Control or solutions containing procyanidin from sorghum, catechin, tannic acid, β-1,2,3,4,6-penta-O-galloyl-D-glucose (PGG, gallic acid, or methyl gallate (10 mg g−1 soil. After eight treatments, samples were rinsed with cool water (23°C and incubated in hot water (16 hrs, 80°C. After each step, the quantity of soluble-N and extraction efficiency compared to the Control was determined. Tannins produced the greatest reductions of soluble-N with stronger effects on pasture soil. Little soluble-N was extracted with cool water but hot water released large amounts in patterns influenced by the previous treatments. The results of this study indicate hydrolyzable tannins like PGG reduce the solubility of labile soil-N more than condensed tannins like sorghum procyanidin (SOR and suggest tannin effects will vary with land management. Because they rapidly reduce solubility of soil-N and can also affect soil microorganisms, tannins may have a role in managing nitrogen availability and retention in agricultural soils.

  19. The Modern RPG IV Language

    CERN Document Server

    Cozzi, Robert


    This updated, classic work on the RPG language covers all the new functions and features that have been added since 2003, including new op codes and built-in functions, new chapters on free-format RPG IV and Web programming interfaces, information on implementing XML within RPG IV, and expanded information on procedures. This reference guide takes both novice and experienced RPG IV programmers through the language, from its foundation to its most advanced techniques. More than 100 charts and tables, as well as 350 real-life code samples of functions and operations are included, showing readers

  20. Accumulation of Phenolic Compounds and Expression Profiles of Phenolic Acid Biosynthesis-Related Genes in Developing Grains of White, Purple, and Red Wheat. (United States)

    Ma, Dongyun; Li, Yaoguang; Zhang, Jian; Wang, Chenyang; Qin, Haixia; Ding, Huina; Xie, Yingxin; Guo, Tiancai


    Polyphenols in whole grain wheat have potential health benefits, but little is known about the expression patterns of phenolic acid biosynthesis genes and the accumulation of phenolic acid compounds in different-colored wheat grains. We found that purple wheat varieties had the highest total phenolic content (TPC) and antioxidant activity. Among phenolic acid compounds, bound ferulic acid, vanillic, and caffeic acid levels were significantly higher in purple wheat than in white and red wheat, while total soluble phenolic acid, soluble ferulic acid, and vanillic acid levels were significantly higher in purple and red wheat than in white wheat. Ferulic acid and syringic acid levels peaked at 14 days after anthesis (DAA), whereas p-coumaric acid and caffeic acid levels peaked at 7 DAA, and vanillic acid levels gradually increased during grain filling and peaked near ripeness (35 DAA). Nine phenolic acid biosynthesis pathway genes (TaPAL1, TaPAL2, TaC3H1, TaC3H2, TaC4H, Ta4CL1, Ta4CL2, TaCOMT1, and TaCOMT2) exhibited three distinct expression patterns during grain filling, which may be related to the different phenolic acids levels. White wheat had higher phenolic acid contents and relatively high gene expression at the early stage, while purple wheat had the highest phenolic acid contents and gene expression levels at later stages. These results suggest that the expression of phenolic acid biosynthesis genes may be closely related to phenolic acids accumulation.


    Directory of Open Access Journals (Sweden)

    Harry Budiman


    Full Text Available The identification and analysis of chemical warfare agents and their degradation products is one of important component for the implementation of the convention. Nowadays, the analytical method for determination chemical warfare agent and their degradation products has been developing and improving. In order to get the sufficient analytical data as recommended by OPCW especially in Proficiency Testing, the spiking chemical compounds related to Chemical Weapon Convention in unknown water sample were determined using two different techniques such as gas chromatography and gas chromatography electron-impact ionization mass spectrometry. Neutral organic extraction, pH 11 organic extraction, cation exchanged-methylation, triethylamine/methanol-silylation were performed to extract the chemical warfare agents from the sample, before analyzing with gas chromatography. The identification of chemical warfare agents was carried out by comparing the mass spectrum of chemicals with mass spectrum reference from the OPCW Central Analytical Database (OCAD library while the retention indices calculation obtained from gas chromatography analysis was used to get the confirmation and supported data of  the chemical warfare agents. Diisopropyl methylphosphonate, 2,2-diphenyl-2-hydroacetic acid and 3-quinuclidinol were found in unknown water sample. Those chemicals were classified in schedule 2 as precursor or reactant of chemical weapons compound in schedule list of Chemical Weapon Convention.   Keywords: gas chromatography, mass spectrometry, retention indices, OCAD library, chemical warfare agents

  2. Polar compounds isolated from the leaves of Calea prunifolia H.B.K. and their anti-adrenergic related vasodilator activity

    Energy Technology Data Exchange (ETDEWEB)

    Puebla, Pilar; San Feliciano, Arturo [Laboratory of Organic and Pharmaceutical Chemistry, Faculty of Pharmacy, Campus Miguel de Unamuno, Salamanca University (Spain); Aranguren, Nataly; Rincon, Javier; Rojas, Maritza; Guerrero, Mario, E-mail: [Pharmacy Department, School of Sciences, National University of Colombia, Bogota D.C. (Colombia)


    The leaves of Calea prunifolia H.B.K., medicinal specie used in Colombian folk medicine for hypertension have been analysed for their chemical constituents, resulting in the isolation of one flavonoid glycoside, one quinic acid derivative and one kaurane diterpenoid glycoside. Their chemical structures were elucidated on the basis of spectral analysis, including HRMS, 1D- and 2D-NMR data. The vasodilator effect related to anti adrenergic activity of the three compounds was evaluated in isolated aortic rings from Wistar rats contracted cumulatively with phenylephrine (from 1 x 10{sup -9} to 5 x 10{sup -5} mol L{sup -1}). Although these compounds were devoid of significant vasodilator activity when they were tested alone (1 {mu}g mL-1), mixtures of them (1:1:1) and the own EtOH extract exerted preventive anti-adrenergic activity increasing the phenylephrine CE{sub 50} from 2.3 x 10{sup -8} to 1.3 x 10{sup -7} and 8.0 x 10{sup -7} mol L{sup -1}, respectively. (author)

  3. Magnetic nanoparticles conjugated with "RPE cell -MCP-1 antibody -VEGF antibody" compounds for the targeted therapy of age-related macular degeneration: a hypothesis. (United States)

    Du, Zhao-Jiang; Li, Peng; Wang, Li


    Age-related macular degeneration (AMD) is the leading cause of vision loss in the elderly throughout the world. Treatment of AMD utilizing retinal pigment epithelium (RPE) transplantation represents a promising therapy. However, simplex RPE transplantation can only replace the diseased RPE cells, but has no abilities to stop the development of AMD. It has been indicated that oxidization triggers the development of AMD by inducing the dysfunction and degeneration of RPE cells, which results in the upregulation of local monocyte chemotactic protein-1 (MCP-1) expression. MCP-1 induces macrophage recruiment which triggers local inflammation. As a result, the expression of vascular endothelial growth factor (VEGF) is upregulated by MCP-1 mediated inflammation and results in the formation of choroidal neovascularization (CNV). We accordingly propose a targeted therapy of AMD by subretinal transplanting the compound of RPE cell, MCP-1 antibody, and VEGF antibody and using a magnetic system to guide RPE cell compounds conjugated with superparamagnetic iron oxide nanoparticles (SPIONs). Furthermore, SPION-labelled RPE cells can be tracked and detected in vivo by non-invasive magnetic resonance imaging (MRI). This novel RPE cell transplantation methodology seems very promising to provide a new therapeutic approach for the treatment of AMD.

  4. 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)


    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

  5. Relation of net portal flux of nitrogen compounds with dietary characteristics in ruminants: a meta-analysis approach. (United States)

    Martineau, R; Sauvant, D; Ouellet, D R; Côrtes, C; Vernet, J; Ortigues-Marty, I; Lapierre, H


    Decrease of N intake (NI) with the aim of increasing efficiency of N utilization and decreasing the negative environmental effects of animal production requires assessment of the forms in which N is absorbed. A meta-analysis was conducted on 68 publications (90 experiments and 215 treatments) to study the effect of NI on net portal appearance (NPA) of nitrogenous nutrients [amino acids (AA), ammonia, and urea] in ruminants. In addition, the effect of several dietary energy and protein factors on this relationship was investigated. These factors were: dry matter intake; proportion of concentrate; diet concentrations and intakes of nonfiber carbohydrates and neutral detergent fiber (NDF); diet concentrations of total digestible nutrients (TDN) and crude protein; rumen-degradable protein and rumen-undegradable protein, as percent dry matter or percent crude protein. The effect of species and physiological stage was also investigated. Within-experiment analyses revealed that the NPA of AA-N and ammonia-N increased linearly, whereas the NPA of urea-N decreased (or recycling of urea-N increased) linearly with NI. Besides NI, many significant covariates could be introduced in each NPA model. However, only TDN and neutral detergent fiber intake (NDFi) were common significant covariates of NI in each NPA model. In this database, ruminants converted 60% of incremental NI into NPA of AA-N with no species effect on that slope. However, at similar NI, TDN, and NDFi, sheep absorbed more AA-N than did cattle and dairy cows. On the other hand, species tended to affect the slope of the relationship between NPA of ammonia-N and NI, which varied from 0.19 for the sheep to 0.38 for dairy cows. On average, the equivalent of 11% of incremental NI was recycled as urea-N to the gut through the portal-drained viscera, which excludes salivary contribution, and no species difference was detected. Overall, at similar TDN and NDFi, sheep and cattle increased their NPA of AA-N relative to NI

  6. Effect of antimicrobial compounds on cut Gerbera flowers: Poor relation between stem bending and numbers of bacteria in the vase water

    NARCIS (Netherlands)

    Witte, van de Y.; Harkema, H.; Doorn, van W.G.


    Gerbera flowers (Gerbera jamesonii) often show stem bending. In four cultivars (Tamara, Liesbeth, Cora, and Mickey), we tested the effects on bending of antimicrobial compounds (chlorine bleach, a slow release chlorine compound, 8-hydroxyquinoline citrate [HQC], silver nitrate, carvacrol and

  7. Consumer perception of carriers of a satiating compound. Influence of front-of-package images and weight loss-related information. (United States)

    Fiszman, Susana; Carrillo, Elizabeth; Varela, Paula


    Nowadays it is common to find dietary supplements on the market with the same health promoting compounds as certain functional food products. However, there is a lack of research comparing these two categories of carriers (food and supplements) for the same functional ingredient. This work focuses on konjac glucomannan (KGM) due to its recognized body weight reduction-related effect: when it swells in the stomach in the presence of sufficient water, it produces a sensation of fullness. In this context, the objectives of the present work were to gain knowledge about consumer perception of KGM and its different carriers or forms of presentation (in a food item or in capsules). In addition, the relative importance of the carrier, front-of-package images and weight loss-related information were studied by different sensory techniques, such as word association, projective mapping and conjoint analysis. The results showed that consumers formed negative perceptions when the information was not sufficiently complete and that they considered a food product containing KGM better than KGM capsules. Regarding the front of the package, health benefit-related images were more attractive than verbal information. Copyright © 2015 Elsevier Ltd. All rights reserved.

  8. Crystal structure of ammonium divanadium(IV,V tellurium(IV heptaoxide

    Directory of Open Access Journals (Sweden)

    William T. A. Harrison


    Full Text Available The polyhedral building blocks of the layered inorganic network in the mixed-valence title compound, (NH4(VIVO2(VVO2(TeO3, are vertex-sharing VVO4 tetrahedra, distorted VIVO6 octahedra and TeO3 pyramids, which are linked by V—O—V and V—O—Te bonds, forming double layers lying parallel to (100. The presumed TeIV lone-pairs of electrons appear to be directed inwards into cavities in the double layers. The charge-balancing ammonium cations lie between the layers and probably interact with them via N—H...O hydrogen bonds.

  9. Fundamental relation between molecular geometry and real-space topology. Combined AIM, ELI-D, and ASF analysis of hapticities and intramolecular hydrogen-hydrogen bonds in zincocene-related compounds. (United States)

    Mebs, Stefan; Chilleck, Maren Annika; Meindl, Kathrin; Hübschle, Christian Bertram


    Despite numerous advanced and widely distributed bonding theories such as MO, VB, NBO, AIM, and ELF/ELI-D, complex modes of bonding such as M-Cp*((R)) interactions (hapticities) in asymmetrical metallocenes or weak intramolecular interactions (e.g., hydrogen-hydrogen (H···H) bonds) still remain a challenge for these theories in terms of defining whether or not an atom-atom interaction line (a "chemical bond") should be drawn. In this work the intramolecular Zn-C(Cp*(R)) (R = Me, -(CH2)2NMe2, and -(CH2)3NMe2) and H···H connectivity of a systematic set of 12 zincocene-related compounds is analyzed in terms of AIM and ELI-D topology combined with the recently introduced aspherical stockholder fragment (ASF) surfaces. This computational analysis unravels a distinct dependency of the AIM and ELI-D topology against the molecular geometry for both types of interactions, which confirms and extends earlier findings on smaller sets of compounds. According to these results the complete real-space topology including strong, medium, and weak interactions of very large compounds such as proteins may be reliably predicted by sole inspection of accurately determined molecular geometries, which would on the one hand afford new applications (e.g., accurate estimation of numbers, types, and strengths of intra- and intermolecular interactions) and on the other hand have deep implications on the significance of the method.

  10. Comparative effects of indium/ytterbium doping on, mechanical and gas-sensitivity-related morphological, properties of sprayed ZnO compounds

    Energy Technology Data Exchange (ETDEWEB)

    Boukhachem, A.; Fridjine, S.; Amlouk, A. [Unite de physique des dispositifs a semi-conducteurs, Faculte des sciences de Tunis, Universite de Tunis El Manar, 2092 Tunis (Tunisia); Boubaker, K., E-mail: mmbb11112000@yahoo.f [Unite de physique des dispositifs a semi-conducteurs, Faculte des sciences de Tunis, Universite de Tunis El Manar, 2092 Tunis (Tunisia); Bouhafs, M. [Unite de Recherche MA2I, Ecole Nationale d' Ingenieurs de Tunis B.P. 37, Le Belvedere, 1002 Tunis (Tunisia); Amlouk, M. [Unite de physique des dispositifs a semi-conducteurs, Faculte des sciences de Tunis, Universite de Tunis El Manar, 2092 Tunis (Tunisia)


    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.

  11. Catalysis of SO{sub 4}{sup 2-}/ZrO{sub 2} in the reactions of coal-related model compounds

    Energy Technology Data Exchange (ETDEWEB)

    Zhicai Wang; Zushan Wang; Hengfu Shui; Zhiping Lei; Shibiao Ren; Shigang Kang; Yanni Zhu [Anhui University of Technology, Ma' anshan (China). School of Chemistry and Chemical Engineering


    In this paper, diphenylmethane, bibenzyl, phenetole and diphenyl ether were used as coal-related model compounds (CRMCs) to study the catalysis of SO{sub 4}{sup 2-}/ZrO{sub 2} in the process of coal liquefaction. Based on the reaction kinetics of CRMCs in tetralin and identification of reaction products, the catalytic mechanisms of SO{sub 4}{sup 2-}/ZrO{sub 2} for CRMCs were discussed. The results indicate that the CRMCs were mainly hydrocracked by SO{sub 4}{sup 2-}/ZrO{sub 2}. The conversion of tetralin solvent increased with the reactivity of CRMC. Reactions of tetralin mainly included hydrocracking, isomerization, alkylation and hydrogenation/dehydrogenation. A cationic reaction mechanism was proposed, which can successfully interpret the reaction of CRMCs and tetralin catalyzed by SO{sub 4}{sup 2-}/ZrO{sub 2}. 35 refs., 3 figs., 4 tabs.

  12. Oxidation Resistance of Monolayer Group-IV Monochalcogenides. (United States)

    Guo, Yu; Zhou, Si; Bai, Yizhen; Zhao, Jijun


    Ridged, orthorhombic two-dimensional (2D) group-V elemental and group IV-VI compound analogues of phosphorene provide a versatile platform for nanoelectronics, optoelectronics, and clean energy. However, phosphorene is vulnerable to oxygen in ambient air, which is a major obstacle for its applications. Regarding this issue, here we explore the oxidation behavior of monolayer group-IV monochalcogenides (GeS, GeSe, SnS, and SnSe), in comparison to that of phosphorene and arsenene by first-principles calculations. We find superior oxidation resistance of the monolayer group-IV monochalcogenides, with activation energies for the chemisorption of O2 on the 2D sheets in the range of 1.26-1.60 eV, about twice of the values of phosphorene and arsenene. The distinct oxidation behaviors of monolayer group-IV monochalcogenides and group-V phosphorene analogues originate from their different bond natures. Moreover, the chemisorption of a moderate amount of oxygen atoms does not severely deteriorate the electronic band structures of the monolayer group-IV monochalcogenides. These results shine light on the utilization of the monolayer group-IV monochalcogenides for next-generation 2D electronics and optoelectronics with high performance and stability.

  13. IV. Culture et science



    4.1. Recherche et coopération scientifique Dans le domaine de la recherche et de la science, le développement de la collaboration entre les institutions suisses et celles de pays du Sud devrait gagner en importance. La Confédération, diverses universités et instituts de recherche privés, ont en effet lancé des projet visant à renforcer les contacts avec des partenaires de recherche dans les pays en développement. Ces relations sont le plus souvent bilatérales et prennent la forme d’échanges d...

  14. Complexes of tetra-tert-butyl-tetraazaporphine with Al(III) and Zr(IV) cations as fluoride selective ionophores. (United States)

    Górski, Lukasz; Mroczkiewicz, Monika; Pietrzak, Mariusz; Malinowska, Elzbieta


    In this work, complexes of Zr(IV) and Al(III) cations with 2,7,12,17-tetra-tert-butyl-5,10,15,20-tetraazaporphine (TAP) were tested as ionophores in plasticized PVC membranes of ion-selective electrodes. It was found that both tested ionophores show enhanced affinity towards fluoride anion. High fluoride selectivity was observed in the presence of anionic or cationic additives in the membrane, which indicates that proposed compounds work according to charged or neutral carrier mechanism, depending on membrane composition and pretreatment. tert-Butyl substituents, present in the structure of tested compounds, were supposed to prevent formation of ionophore dimers within the membrane phase. This process was found to be responsible for some unfavorable potentiometric properties of electrodes based on complexes of Zr(IV) and Al(III) cations with porphyrins (compounds closely related to tetra-tert-butyl-5,10,15,20-tetraazaporphine). As it was shown using spectrophotometrical measurements, Al(III)-TAP was not susceptible to dimerization, while dimer formation was observed for Zr(IV)-TAP. In full agreement with these observations, electrodes with membranes containing Al(III)-TAP responded in near-Nernstian and fast manner towards fluoride anion, while the employment of Zr(IV)-TAP as ionophore resulted in super-Nernstian and sluggish response. Plasticized PVC membranes doped with Al(III)-TAP and 20mol% of lipophilic anionic additives shown remarkable F(-) selectivity, with selectivity coefficients, logK(F-pot.).(Y-), as follows: -4.4 (Y(-)Br(-)), -4.3 (Cl(-)), -4.2 (NO(3)(-)), -3.6 (SCN(-)), -2.9 (ClO(4)(-)).

  15. Recent advances on the difructose anhydride IV preparation from levan conversion. (United States)

    Hang, Hua


    Difructose anhydride IV (DFA IV) is a cyclic disaccharide consisting of two fructose residues, which is obtained from levan conversion with levan fructotransferase (LFTase) and rarely found in nature as a low-calorie sugar substitute. Some beneficial effects of DFA IV connected with its consumption have been described. The article reviews the properties and physiological functions of DFA IV, levan conversion, resources and properties of LFTase and the produced methods of DFA IV. LFTase as a relatively novel enzyme and its molecular evolution are discussed as well. The aim is to better understand a novel sugar-substituting sweetener of DFA IV as a food additive.

  16. [Addictive behaviours from DSM-IV to DSM-5]. (United States)

    van den Brink, W


    The 5th edition of the DSM was published in May, 2013. The new edition incorporates important changes in the classification of addiction. To compare the classification of addictive behaviours presented in DSM-IV with the classification presented in DSM-5 and to comment on the changes introduced into the new version. First of all, the historical developments of the concept of addiction and the classification of addictive behaviours up to DSM-IV are summarised. Then the changes that have been incorporated into DSM-5 are described. The main changes are: (1) DSM-IV substance related disorders and DSM-IV pathological gambling have been combined into one new DSM-5 category, namely 'Substance Related and Addictive Disorders'; (2) DSM-IV abuse and dependence have been combined into one new DSM-5 diagnosis, namely 'Substance Use Disorder'; (2a) the DSM-IV abuse criterion 'recurrent substance-related legal problems' and the DSM-5 criterion 'craving' has been introduced; and (2b) the criteria for (partial) remission have been sharpened. DSM-5 is an improvement on DSM-IV, but for the diagnosis of a psychiatric disorder and the treatment of a psychiatric patient, classification needs to be complemented with staging and profiling.

  17. Multipurpose Compound (United States)


    Specially formulated derivatives of an unusual basic compound known as Alcide may be the answer to effective treatment and prevention of the disease bovine mastitis, a bacterial inflammation of a cow's mammary gland that results in loss of milk production and in extreme cases, death. Manufactured by Alcide Corporation the Alcide compound has killed all tested bacteria, virus and fungi, shortly after contact, with minimal toxic effects on humans or animals. Alcide Corporation credits the existence of the mastitis treatment/prevention products to assistance provided the company by NERAC, Inc.

  18. Identification and Quantification of Gingerols and Related Compounds in Ginger Dietary Supplements Using High Performance Liquid Chromatography-Tandem Mass Spectrometry (United States)



    Dietary supplements containing preparations of ginger roots/rhizomes (Zingiber officinale Roscoe) are being used by consumers, and clinical trials using ginger dietary supplements have been carried out to evaluate their anti-inflammatory or anti-emetic properties with inconsistent results. Chemical standardization of these products is needed for quality control and to facilitate the design of clinical trials and the evaluation of data from these studies. To address this issue, methods based on liquid chromatography-tandem mass spectrometry (LC-MS-MS) were developed for the detection, characterization and quantitative analysis of gingerol-related compounds in botanical dietary supplements containing ginger roots/rhizomes. During negative ion electrospray with collision induced-dissociation, the cleavage of the C4-C5 bond with a neutral loss of 194 u and benzylic cleavage leading to the neutral loss of 136 u were found to be class characteristic fragmentation patterns of the pharmacologically active gingerols or shogaols, respectively. Based on these results, an assay using LC-MS-MS with neutral loss scanning (loss of 194 u or 136 u) was developed that is suitable for the fingerprinting of ginger dietary supplements based on the selective detection of gingerols, shogaols, paradols, and gingerdiones. In addition, a quantitative assay based on LC-MS-MS with selected reaction monitoring was developed for the quantitative analysis of 6-gingerol, 8-gingerol, 10-gingerol, 6-shogaol, 8-shogaol, and 10-shogaol in ginger dietary supplements. After method validation, the quantities of these compounds in three commercially available ginger dietary supplements were determined. This assay showed excellent sensitivity, accuracy and precision and may be used to address the need for quality control and standardization of ginger dietary supplements. PMID:19817455

  19. Interplay of metals and bromine with dioxin-related compounds concentrated in e-waste open burning soil from Agbogbloshie in Accra, Ghana. (United States)

    Fujimori, Takashi; Itai, Takaaki; Goto, Akitoshi; Asante, Kwadwo A; Otsuka, Masanari; Takahashi, Shin; Tanabe, Shinsuke


    Open burning of electronic waste (e-waste) releases various metals and organohalogen compounds in the environment. Here we investigated the interplay of metals (Cu, Pb, Zn, Fe, Co, and Sr) and bromine (Br) in the formation of dioxin-related compounds (DRCs), including polychlorinated dibenzo-p-dioxins/furans (PCDD/Fs) and dioxin-like polychlorinated biphenyls (DL-PCBs), as well as non-regulated DRCs such as polybrominated dibenzo-p-dioxins/furans (PBDD/Fs) and their monobrominated PCDD/Fs in soils sampled from open burning e-waste sites at Agbogbloshie in Accra, Ghana. The predominant DRCs were PBDFs, PCDFs, PCDDs, and DL-PCBs. Statistical analyzes, X-ray absorption spectroscopy, and the PCDF/PCDD ratio suggested possible formation paths of PCDD/Fs and DL-PCBs by catalytic behaviors of copper chlorides (CuCl, CuCl2, and Cu2(OH)3Cl) and thermal breakdown of polyvinyl chloride. Predominant formation of brominated furans may be derived from electron transfer from intermediates of PBDE to copper, Cu(II) → Cu(I). Lead chloride also contributed to generate DRCs and may become highly bioaccessible through the open burning of e-waste. The main zinc species (ZnCl2 and ZnS) suggested a possible relationship to generate DRCs and specific zinc source such as tire burning. Cu, Pb, Zn, and Br contained in various e-wastes, wires/cables, plastics, and tires strongly influenced generation of many DRCs. Copyright © 2015 Elsevier Ltd. All rights reserved.

  20. Antioxidant Activity and Thermal Stability of Oleuropein and Related Phenolic Compounds of Olive Leaf Extract after Separation and Concentration by Salting-Out-Assisted Cloud Point Extraction

    Directory of Open Access Journals (Sweden)

    Konstantinos Stamatopoulos


    Full Text Available A fast, clean, energy-saving, non-toxic method for the stabilization of the antioxidant activity and the improvement of the thermal stability of oleuropein and related phenolic compounds separated from olive leaf extract via salting-out-assisted cloud point extraction (CPE was developed using Tween 80. The process was based on the decrease of the solubility of polyphenols and the lowering of the cloud point temperature of Tween 80 due to the presence of elevated amounts of sulfates (salting-out and the separation from the bulk solution with centrifugation. The optimum conditions were chosen based on polyphenols recovery (%, phase volume ratio (Vs/Vw and concentration factor (Fc. The maximum recovery of polyphenols was in total 95.9%; Vs/Vw was 0.075 and Fc was 15 at the following conditions: pH 2.6, ambient temperature (25 °C, 4% Tween 80 (w/v, 35% Na2SO4 (w/v and a settling time of 5 min. The total recovery of oleuropein, hydroxytyrosol, luteolin-7-O-glucoside, verbascoside and apigenin-7-O-glucoside, at optimum conditions, was 99.8%, 93.0%, 87.6%, 99.3% and 100.0%, respectively. Polyphenolic compounds entrapped in the surfactant-rich phase (Vs showed higher thermal stability (activation energy (Ea 23.8 kJ/mol compared to non-entrapped ones (Ea 76.5 kJ/mol. The antioxidant activity of separated polyphenols remained unaffected as determined by the 1,1-diphenyl-2-picrylhydrazyl method.

  1. Chemistry of peroxide compounds (United States)

    Volnov, I. I.


    The history of Soviet research from 1866 to 1967 on peroxide compounds is reviewed. This research dealt mainly with peroxide kinetics, reactivity and characteristics, peroxide production processes, and more recently with superoxides and ozonides and emphasis on the higher oxides of group 1 and 2 elements. Solid state fluidized bed synthesis and production of high purity products based on the relative solubilities of the initial, intermediate, and final compounds and elements in liquid ammonia are discussed.

  2. 40 CFR Appendix IV to Part 600 - Sample Fuel Economy Labels for 2008 and Later Model Year Vehicles (United States)


    ... 40 Protection of Environment 29 2010-07-01 2010-07-01 false Sample Fuel Economy Labels for 2008 and Later Model Year Vehicles IV Appendix IV to Part 600 Protection of Environment ENVIRONMENTAL PROTECTION AGENCY (CONTINUED) ENERGY POLICY FUEL ECONOMY AND CARBON-RELATED EXHAUST EMISSIONS OF MOTOR VEHICLES Pt. 600, App. IV Appendix IV to Part 600...

  3. Dioxin-related compounds in breast milk of women from Vietnamese e-waste recycling sites: levels, toxic equivalents and relevance of non-dietary exposure. (United States)

    Tue, Nguyen Minh; Katsura, Kana; Suzuki, Go; Tuyen, Le Huu; Takasuga, Takumi; Takahashi, Shin; Viet, Pham Hung; Tanabe, Shinsuke


    Although informal e-waste recycling sites (EWRSs) are hotspots of both polychlorinated and polybrominated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs and PBDD/Fs), human exposure to the latter has not been studied in details. This study investigated the accumulation levels and profiles of dioxin-related compounds (DRCs) in breast milk samples from women living in two Vietnamese EWRSs and estimated the intake contribution from e-waste-related exposure. Screening results using Dioxin-Responsive Chemically Activated LUciferase gene eXpression assay (DR-CALUX) showed higher dioxin-like (DL) activities in samples from the EWRS Bui Dau than in those from the EWRS Trang Minh and a reference site (2.3-10 vs 1.7-4.8 and 0.60-5.7 pg CALUX-TEQ/g lipid, n=10, 6 and 9, respectively). Chemical analysis results of selected samples show that the WHO-TEQ levels of PCDD/Fs, DL-PCBs and PBDD/Fs in EWRS samples were not significantly higher than in those from the reference site (0.22-7.4 vs 1.1-3.0 pg/g lipid) and within the Vietnamese background range, but women involved in recycling accumulated higher concentrations of PCDFs (13-15 vs 2.3-8.8 pg/g lipid) and PBDFs (1.1-1.5 vs <1.1 pg/g lipid). By comparing the DRC profile in milk of these women with the reported profile in house dust from the same site, dust ingestion was estimated to contribute most of the intake for tetraBDF, 37 per cent to 55 per cent for penta-octaCDFs, but less than twenty per cent for PCDDs and DL-PCBs, and 26 per cent for total WHO-TEQs. The DL activities in some EWRS milk samples were not fully explained by chemical data, suggesting contribution from unidentified compounds. The estimated WHO-TEQ intake doses for breastfed infants (1.3-33 pg/kg/d) mostly exceeded the tolerable value, especially for those living in the EWRSs; and unidentified DRCs might increase further the dioxin-related health risk. Copyright © 2014 Elsevier Inc. All rights reserved.

  4. Chelation and stabilization of berkelium in oxidation state +IV (United States)

    Deblonde, Gauthier J.-P.; Sturzbecher-Hoehne, Manuel; Rupert, Peter B.; An, Dahlia D.; Illy, Marie-Claire; Ralston, Corie Y.; Brabec, Jiri; de Jong, Wibe A.; Strong, Roland K.; Abergel, Rebecca J.


    Berkelium (Bk) has been predicted to be the only transplutonium element able to exhibit both +III and +IV oxidation states in solution, but evidence of a stable oxidized Bk chelate has so far remained elusive. Here we describe the stabilization of the heaviest 4+ ion of the periodic table, under mild aqueous conditions, using a siderophore derivative. The resulting Bk(IV) complex exhibits luminescence via sensitization through an intramolecular antenna effect. This neutral Bk(IV) coordination compound is not sequestered by the protein siderocalin—a mammalian metal transporter—in contrast to the negatively charged species obtained with neighbouring trivalent actinides americium, curium and californium (Cf). The corresponding Cf(III)-ligand-protein ternary adduct was characterized by X-ray diffraction analysis. Combined with theoretical predictions, these data add significant insight to the field of transplutonium chemistry, and may lead to innovative Bk separation and purification processes.

  5. Coordination Chemistry of Homoleptic Actinide(IV)-Thiocyanate Complexes. (United States)

    Carter, Tyler J; Wilson, Richard E


    The synthesis, X-ray crystal structure, vibrational and optical spectroscopy for the eight-coordinate thiocyanate compounds, [Et4 N]4 [Pu(IV) (NCS)8 ], [Et4 N]4 [Th(IV) (NCS)8 ], and [Et4 N]4 [Ce(III) (NCS)7 (H2 O)] are reported. Thiocyanate was found to rapidly reduce plutonium to Pu(III) in acidic solutions (pHcoordination in acetonitrile based on the observation of intense ligand-to-metal charge-transfer bands. Spectroscopic and crystallographic data do not support the interaction of the metal orbitals with the ligand π system, but support an enhanced An(IV) -NCS interaction, as the Lewis acidity of the metal ion increases from Th to Pu. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Novel Technique for Analysing Volatile Compounds in Indoor Dust : Application of Gas Chromatography – UV Spectrometry to the Study of Building-Related Illness


    Nilsson, Anders


    It is now generally acknowledged that particulate air pollution can cause respiratory symptoms and that indoor dust particles may be associated with mucous membrane irritation and odour annoyance. One reason for this may be that dust particles adsorb large quantities of gases and other volatile compounds. It is therefore important to be able to determine the chemical compounds adsorbed onto indoor dust particles. In this thesis, a new technique was developed that can analyse chemical compound...

  7. Developmental patterns of emission of scent compounds and related gene expression in roses of the cultivar Rosa x hybrida cv. 'Yves Piaget'. (United States)

    Chen, Xiaomin; Baldermann, Susanne; Cao, Shuyan; Lu, Yao; Liu, Caixia; Hirata, Hiroshi; Watanabe, Naoharu


    2-Phenylethanol (2PE) and 3,5-dimethoxytoluene (DMT) are characteristic scent compounds in specific roses such as Rosa x hybrida cv. 'Yves Piaget'. We analyzed the endogenous concentrations and emission of 2PE and DMT during the unfurling process in different floral organs, as well as changes in transcript levels of the two key genes, PAR and OOMT2. The emission of both 2PE and DMT increased during floral development to reach peaks at the fully unfurled stage. The relative transcripts of PAR and OOMT2 also increased during floral development. Whereas the maximum for OOMT2 was found at the fully unfurled stage (stage 4), similar expression levels of PAR were detected at stage 4 and the senescence stage (stage 6). The results demonstrate a positive correlation between the expression levels of PAR and OOMT2 and the emission of 2PE and DMT. In addition, endogenous volatiles and relative transcripts showed tissue- and development-specific patterns. Copyright © 2014 Elsevier Masson SAS. All rights reserved.

  8. 31P nuclear magnetic resonance chemical shielding tensors of phosphorylethanolamine, lecithin, and related compounds: Applications to head-group motion in model membranes. (United States)

    Kohler, S J; Klein, M P


    31P nuclear magnetic resonance (NMR) powder spectra have been used to obtain the principal values of the chemical shielding tensors of dipalmitoyellecithin (DPL), dipalmitoylphosphatidylethanolamine, and several related organophosphate mono- and diesters. In addition, the principal values and orientation of the phosphorylethanolamine shielding tensor were determined from 31P NMR spectra of a single crystal. In all compounds studied the shielding tensors were clearly monaxial. The monoester spectra are typified by the spectrum of phosphorylethanolamine with principal values of -67, -13, and 69 ppm relative to H3PO4. The diesters have a larger total anisotrophy, as indicated by the DPL values of -81, -25, and 108 ppm. These data as well as the orientation of the phosphorylethanolamine shielding tensor are correlated with the electron density distribution as determined by the bonding pattern of the phosphate. The spectrum of a DPL-water (1:1) mixture at 52 degrees C has a shift anisotrophy of 30 ppm and displays a shape characteristic of an axial tensor. This change from the rigid lattice DPL pattern is explained in terms of motional narrowing, and the shielding tensor data are used to interpret the motion of the phospholipid head group. Simple rotation about the P-O(glycerol) bond is excluded, and a more complex motion involving rotation about both the P-O (glycerol) and glycerol C(2)-C(3) bonds is postulated.

  9. /sup 31/P nuclear magnetic resonance chemical shielding tensors of phosphorylethanolamine, lecithin, and related compounds: applications to head-group motion in model membranes

    Energy Technology Data Exchange (ETDEWEB)

    Kohler, S.J.; Klein, M.P.


    /sup 31/P nuclear magnetic resonance (NMR) power spectra have been used to obtain the principal values of the chemical shielding tensors of dipalmitoyllecithin (DPL), dipalmitoylphosphatidylethanolamine, and several related organophosphate mono- and diesters. In addition, the principal values and orientation of the phosphorylethanolamine shielding tensor were determined from /sup 31/P NMR spectra of a single crystal. In all compounds studied the shielding tensors were clearly nonaxial. The monoester spectra are typified by the spectrum of phosphorylethanolamine with principal values of -67, -13, and 69 ppm relative to H/sub 3/PO/sub 4/. The diesters have a larger total anisotropy, as indicated by the DPL values of -81, -25, and 108 ppm. These data as well as the orientation of the phosphorylethanolamine shielding tensor are correlated with the electron density distribution as determined by the bonding pattern of the phosphate. The spectrum of a DPL--water (1:1) mixture at 52/sup 0/C has a shift anisotropy of 30 ppm and displays a shape characteristic of an axial tensor. This change from the rigid lattice DPL pattern is explained in terms of motional narrowing, and the shielding tensor data are used to interpret the motion of the phospholipid head group. Simple rotation about the P--O(glycerol) bond is excluded, and a more complex motion involving rotation about both the P--O(glycerol) and glycerol C(2)--C(3) bonds is postulated. (auth)

  10. Mesoionic Compounds

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 11; Issue 10. Mesoionic Compounds - An Unconventional Class of Aromatic Heterocycles. Bharati V Badami. General Article Volume 11 Issue 10 October 2006 pp 40-48. Fulltext. Click here to view fulltext PDF. Permanent link:

  11. Mesoionic Compounds

    Indian Academy of Sciences (India)

    Sydnone, the representative mesoionic compound has been extensively studied because of its unusual structure, chemi- cal properties and synthetic utility. Sydnone is used as a versatile synthon in heterocyclic synthesis. This article gives a brief account of the comparative studies of the structural features of mesoionic ...

  12. Food processing strategies to enhance phenolic compounds bioaccessibility and bioavailability in plant-based foods. (United States)

    Ribas-Agustí, Albert; Martín-Belloso, Olga; Soliva-Fortuny, Robert; Elez-Martínez, Pedro


    Phenolic compounds are important constituents of plant-based foods, as their presence is related to protective effects on health. To exert their biological activity, phenolic compounds must be released from the matrix during digestion in an absorbable form (bioaccessible) and finally absorbed and transferred to the bloodstream (bioavailable). Chemical structure and matrix interactions are some food-related factors that hamper phenolic compounds bioaccessibility and bioavailability, and that can be counteracted by food processing. It has been shown that food processing can induce chemical or physical modifications in food that enhance phenolic compounds bioaccessibility and bioavailability. These changes include: (i) chemical modifications into more bioaccessible and bioavailable forms; (ii) cleavage of covalent or hydrogen bonds or hydrophobic forces that attach phenolic compounds to matrix macromolecules; (iii) damaging microstructural barriers such as cell walls that impede the release from the matrix; and (iv) create microstructures that protect phenolic compounds until they are absorbed. Indeed, food processing can produce degradation of phenolic compounds, however, it is possible to counteract it by modulating the operating conditions in favor of increased bioaccessibility and bioavailability. This review compiles the current knowledge on the effects of processing on phenolic compounds bioaccessibility or bioavailability, while suggesting new guidelines in the search of optimal processing conditions as a step forward towards the design of healthier foods.

  13. Origin of polymorphism of the two-dimensional group-IV monochalcogenides (United States)

    Wu, Minghui; Wei, Su-Huai; Huang, Li


    Unlike other two-dimensional (2D) isovalent materials, the 2D group IV monochalcogenides, M X (M =Si , Ge, Sn, and Pb; X =S , Se, and Te), are found to be either in a black phosphorene-derived distorted NaCl-type (d -NaCl) structure or a recently predicted P m a 2 structure. Both M and X atoms in the d -NaCl structure are threefold coordinated, whereas M and X in the P m a 2 structure are fourfold and twofold coordinated, respectively. Using first-principles total energy and electronic structure calculations and a global structural search technique, we systematically investigated the mechanism underlying the polymorphism of the 2D group-IV monochalcogenides. Our analysis show that the relative stability of the two distinct crystallographic phases depends on the strength of the M -M covalent bond and the electronegativity difference between the constituent elements M and X . For small cations, the covalency plays more important role, whereas for large cations the Coulomb interaction becomes more dominant. Therefore, the Si X and Ge X compounds assume the P m a 2 structure, whereas the M X compounds with heavy cation elements (M =Sn and Pb) tend to adopt the d -NaCl structure.

  14. Free-format RPG IV

    CERN Document Server

    Martin, Jim


    This how-to guide offers a concise and thorough introduction to the increased productivity, better readability, and easier program maintenance that comes with the free-format style of programming in RPG IV. Although free-format information is available in IBM manuals, it is not separated from everything else, thereby requiring hours of tedious research to track down the information needed. This book provides everything one needs to know to write RPG IV in the free-format style, and author Jim Martin not only teaches rules and syntax but also explains how this new style of coding has the pot

  15. Cognitive-behavioral interventions for IV insertion pain. (United States)

    Jacobson, Ann F


    INSERTION OF AN IV CATHETER is a commonly performed and painful procedure. The use of cognitive-behavioral interventions (CBIs) may decrease pain by diverting the patient's attention to stimuli other than pain. THIS RANDOMIZED, CONTROLLED TRIAL examined the effect of three CBIs--music, kaleidoscope, and guided imagery--on IV insertion pain in 324 patients. NO STATISTICALLY SIGNIFICANT differences in IV insertion pain were found among the treatment and control groups or between choosing versus being assigned a CBI. Insertion attempts were more difficult in women, and insertion difficulty was correlated with pain intensity and pain distress. Pain intensity was related to insertion site and catheter gauge.

  16. Simulating secondary organic aerosol from missing diesel-related intermediate-volatility organic compound emissions during the Clean Air for London (ClearfLo campaign

    Directory of Open Access Journals (Sweden)

    R. Ots


    Full Text Available We present high-resolution (5 km  ×  5 km atmospheric chemical transport model (ACTM simulations of the impact of newly estimated traffic-related emissions on secondary organic aerosol (SOA formation over the UK for 2012. Our simulations include additional diesel-related intermediate-volatility organic compound (IVOC emissions derived directly from comprehensive field measurements at an urban background site in London during the 2012 Clean Air for London (ClearfLo campaign. Our IVOC emissions are added proportionally to VOC emissions, as opposed to proportionally to primary organic aerosol (POA as has been done by previous ACTM studies seeking to simulate the effects of these missing emissions. Modelled concentrations are evaluated against hourly and daily measurements of organic aerosol (OA components derived from aerosol mass spectrometer (AMS measurements also made during the ClearfLo campaign at three sites in the London area. According to the model simulations, diesel-related IVOCs can explain on average  ∼  30 % of the annual SOA in and around London. Furthermore, the 90th percentile of modelled daily SOA concentrations for the whole year is 3.8 µg m−3, constituting a notable addition to total particulate matter. More measurements of these precursors (currently not included in official emissions inventories is recommended. During the period of concurrent measurements, SOA concentrations at the Detling rural background location east of London were greater than at the central London location. The model shows that this was caused by an intense pollution plume with a strong gradient of imported SOA passing over the rural location. This demonstrates the value of modelling for supporting the interpretation of measurements taken at different sites or for short durations.

  17. Psychological variables and Wechsler Adult Intelligence Scale-IV performance. (United States)

    Gass, Carlton S; Gutierrez, Laura


    The MMPI-2 and WAIS-IV are commonly used together in neuropsychological evaluations yet little is known about their interrelationships. This study explored the potential influence of psychological factors on WAIS-IV performance in a sample of 180 predominantly male veteran referrals that underwent a comprehensive neuropsychological examination in a VA Medical Center. Exclusionary criteria included failed performance validity testing and self-report distortion on the MMPI-2. A Principal Components Analysis was performed on the 15 MMPI-2 content scales, yielding three broader higher-order psychological dimensions: Internalized Emotional Dysfunction (IED), Externalized Emotional Dysfunction (EED), and Fear. Level of IED was not related to performance on the WAIS-IV Full Scale IQ or its four indexes: (Verbal Comprehension, Perceptual Reasoning, Working Memory, and Processing Speed). EED was not related to WAIS-IV performance. Level of Fear, which encompasses health preoccupations (HEA) and distorted perceptions (BIZ), was significantly related to WAIS-IV Full Scale IQ and Verbal Comprehension. These results challenge the common use of high scores on the MMPI-2 IED measures (chiefly depression and anxiety) to explain deficient WAIS-IV performance. In addition, they provide impetus for further investigation of the relation between verbal intelligence and Fear.

  18. NRPD4, a Protein Related to the RPB4 Subunit of RNA Polymerase II, is a Component of RNA Polymerases IV and V and is Required for RNA-directed DNA methylation

    Energy Technology Data Exchange (ETDEWEB)

    He, Xin-Jian; Hsu, Yi-Feng; Pontes, Olga; Zhu, Jianhua; Lu, Jian; Bressan, Ray A.; Pikaard, Craig S.; Wang, Co-Shine; Zhu, Jian-Kang


    RNA-directed DNA methylation (RdDM) is an RNAi-based mechanism for establishing transcriptional gene silencing in plants. The plant-specific RNA polymerases IV and V are required for the generation of 24-nucleotide (nt) siRNAs and for guiding sequence-specific DNA methylation by the siRNAs, respectively. However, unlike the extensively studied multisubunit Pol II, our current knowledge about Pol IV and Pol V is restricted to only the two largest subunits NRPD1a/NRPD1 and NRPD1b/NRPE1 and the one second-largest subunit NRPD2a. It is unclear whether other subunits may be required for the functioning of Pol IV and Pol V in RdDM. From a genetic screen for second-site suppressors of the DNA demethylase mutant ros1, we identified a new component (referred to as RDM2) as well as seven known components (NRPD1, NRPE1, NRPD2a, AGO4, HEN1, DRD1, and HDA6) of the RdDM pathway. The differential effects of the mutations on two mechanistically distinct transcriptional silencing reporters suggest that RDM2, NRPD1, NRPE1, NRPD2a, HEN1, and DRD1 function only in the siRNA-dependent pathway of transcriptional silencing, whereas HDA6 and AGO4 have roles in both siRNA-dependent and -independent pathways of transcriptional silencing. In the rdm2 mutants, DNA methylation and siRNA accumulation were reduced substantially at loci previously identified as endogenous targets of Pol IV and Pol V, including 5S rDNA, MEA-ISR, AtSN1, AtGP1, and AtMU1. The amino acid sequence of RDM2 is similar to that of RPB4 subunit of Pol II, but we show evidence that RDM2 has diverged significantly from RPB4 and cannot function in Pol II. An association of RDM2 with both NRPD1 and NRPE1 was observed by coimmunoprecipitation and coimmunolocalization assays. Our results show that RDM2/NRPD4/NRPE4 is a new component of the RdDM pathway in Arabidopsis and that it functions as part of Pol IV and Pol V.

  19. 11. IV avati Draakoni galeriis...

    Index Scriptorium Estoniae


    Tanel Saare (sünd. 1979) näitus "Gott und huhn episode IV: seed shower". Eksponeeritakse väljavõtteid aktsioonidest aastatel 2000-2004 Turus, Nürnbergis, Berliinis, Lohusalus ja Soulis. Osa aktsioone toimus koos rühmitusega Non Grata

  20. Compound odontoma

    Directory of Open Access Journals (Sweden)

    Monica Yadav


    Full Text Available Odontomas have been extensively reported in the dental literature, and the term refers to tumors of odontogenic origin. Though the exact etiology is still unknown, the postulated causes include: local trauma, infection, inheritance and genetic mutation. The majority of the lesions are asymptomatic; however, may be accompanied with pain and swelling as secondary complaints in some cases. Here, we report a case of a compound odontome in a 14 year old patient.

  1. Effects of cooking method and final core-temperature on cooking loss, lipid oxidation, nucleotide-related compounds and aroma volatiles of Hanwoo brisket. (United States)

    Utama, Dicky Tri; Baek, Ki Ho; Jeong, Hae Seong; Yoon, Seok Ki; Joo, Seon-Tea; Lee, Sung Ki


    This study observed the effects of cooking method and final core temperature on cooking loss, lipid oxidation, aroma volatiles, nucleotide-related compounds and aroma volatiles of Hanwoo brisket ( deep pectoralis ). Deep pectoralis muscles (8.65% of crude fat) were obtained from three Hanwoo steer carcasses with 1 + quality grade. Samples were either oven-roasted at 180°C (dry heat) or cooked in boiling water (moist heat) to final core temperature of 70°C (medium) or 77°C (well-done). Boiling method reduced more fat but retained more moisture than did the oven roasting method (pcore temperature increased (pcore temperature increased. Regardless the method used for cooking, malondialdehyde (pcore temperature increased except for hypoxanthine. Samples cooked to 77°C using oven roasting method released more intense aroma than did the others and the aroma pattern was discriminated based on the intensity. Most of aldehydes and pyrazines were more abundant in oven-roasted samples than in boiled samples. Among identified volatiles, hexanal had the highest area unit in both boiled and oven-roasted samples, of which the abundance increased as the final core temperature increased. The boiling method extracted inosinic acid and rendered fat from beef brisket, whereas oven roasting intensified aroma derived from aldehydes and pyrazines and prevented the extreme loss of inosinic acid.

  2. Influence of high latitude light conditions on sensory quality and contents of health and sensory-related compounds in swede roots (Brassica napus L. ssp. rapifera Metzg.). (United States)

    Mølmann, Jørgen Ab; Hagen, Sidsel Fiskaa; Bengtsson, Gunnar B; Johansen, Tor J


    Vegetable growers in Arctic areas must increasingly rely on market strategies based on regional origin and product quality. Swede roots (rutabaga) were grown in a phytotron to investigate the effect of high latitude light conditions on sensory quality and some health and sensory-related compounds. Experimental treatments included modifications of 24 h natural day length (69° 39' N) by moving plants at daily intervals to dark chambers with either no light, fluorescent growth light and/or low intensity photoperiod extension. Shortening the photosynthetic light period to 12 h produced smaller roots than 15.7 h and 18 h, with highest scores for bitter and sulfur taste, and lowest scores for sweetness, acidic taste and fibrousness. The photoperiod in combination with the photosynthetic light period also had an influence on glucosinolate (GLS) contents, with lowest concentrations in 24 h natural light and highest in 12 h natural light. Concentrations of vitamin C, glucose, fructose and sucrose were not significantly influenced by any of the treatments. High latitude light conditions, with long photosynthetic light periods and 24 h photoperiod, can enhance sweet/less bitter taste and reduce GLS contents in swede roots, compared to growth under short day conditions. This influence of light conditions on eating quality may benefit marketing of regional products from high latitudes. © 2017 Society of Chemical Industry. © 2017 Society of Chemical Industry.

  3. Human peripheral blood mononuclear cell in vitro system to test the efficacy of food bioactive compounds: Effects of polyunsaturated fatty acids and their relation with BMI

    KAUST Repository

    Cifre, Margalida


    Scope: To analyse the usefulness of isolated human peripheral blood mononuclear cells (PBMC) to rapidly/easily reflect n-3 long-chain polyunsaturated fatty acid (LCPUFA) effects on lipid metabolism/inflammation gene profile, and evaluate if these effects are body mass index (BMI) dependent. Methods and results: PBMC from normoweight (NW) and overweight/obese (OW/OB) subjects were incubated with physiological doses of docosahexaenoic (DHA), eicosapentaenoic acid (EPA), or their combination. PBMC reflected increased beta-oxidation-like capacity (CPT1A expression) in OW/OB but only after DHA treatment. However, insensitivity to n-3 LCPUFA was evident in OW/OB for lipogenic genes: both PUFA diminished FASN and SREBP1C expression in NW, but no effect was observed for DHA in PBMC from high-BMI subjects. This insensitivity was also evident for inflammation gene profile: all treatments inhibited key inflammatory genes in NW; nevertheless, no effect was observed in OW/OB after DHA treatment, and EPA effect was impaired. SLC27A2, IL6 and TNFα PBMC expression analysis resulted especially interesting to determine obesity-related n-3 LCPUFA insensitivity. Conclusion: A PBMC-based human in vitro system reflects n-3 LCPUFA effects on lipid metabolism/inflammation which is impaired in OW/OB. These results confirm the utility of PBMC ex vivo systems for bioactive-compound screening to promote functional food development and to establish appropriate dietary strategies for obese population.

  4. [Effects of submarine engine room steady noise on the compound action potential tuning curves and its relation to cochlear pathology in guinea pigs]. (United States)

    Pei, H


    Compound Action Potential Tuning Curves (CAP-TC) for tone pip of 2k, 4 kHz were examined in 8 guinea pigs before and after exposure to noise with main energy centered in the range of 0.25-4.0 kHz. CAP-TC was measured with the pure tone simultaneous masking profiles. AP was evoked by tone pip with an intensity of 10 dB above threshold. Masker level producing 40% reduction in AP amplitude was used. Relations between changes in CAP-TC and AP threshold shifts and the pathology of the stereocilia of hair cells were evaluated by surface preparation and SEM observation in 13 ears. After noise exposure, animals with damaged stereocilia showed AP threshold shift of 20-50 dB, deteriorations of CAP-TC, decrease of Q10 dB value, threshold shift of characteristic frequencies (CF) and displacement of CF towards higher frequencies. It showed that stereocilia damage may affect the susceptibility and frequency selectivity of the cochlea. We consider the CAP-TC may be an useful and sensitive index for detecting physiological and pathological conditions of the cochlea.

  5. Characterization of volatile organic compound adsorption on multiwall carbon nanotubes under different levels of relative humidity using linear solvation energy relationship

    Energy Technology Data Exchange (ETDEWEB)

    Li, Mei-syue; Wu, Siang Chen; Shih, Yang-hsin, E-mail:


    Highlights: • LSER equations successfully predicted VOC sorption on MCNT at different humidity. • The five parameters in LSER could be narrowed down to three ones. • Main interaction is dispersion and partly dipolarity as well as hydrogen-bonds. • With increasing RH, it changes to cavity formation and hydrogen-bond basicity. • This approach can facilitate the VOC control design and the fate prediction. - Abstract: Multiwall carbon nanotubes (MWCNTs) have been used as an adsorbent for evaluating the gas/solid partitioning of selected volatile organic compounds (VOCs). In this study, 15 VOCs were probed to determine their gas/solid partitioning coefficient (Log K{sub d}) using inverse gas chromatography at different relative humidity (RH) levels. Interactions between MWCNTs and VOCs were analyzed by regressing the observed Log K{sub d} with the linear solvation energy relationship (LSER). The results demonstrate that the MWCNT carbonyl and carboxyl groups provide high adsorption capacity for the VOCs (Log K{sub d} 3.72–5.24 g/kg/g/L) because of the π-/n-electron pair interactions and hydrogen-bond acidity. The increasing RH gradually decreased the Log K{sub d} and shifted the interactions to dipolarity/polarizability, hydrogen-bond basicity, and cavity formation. The derived LSER equations provided adequate fits of Log K{sub d}, which is useful for VOC-removal processes and fate prediction of VOC contaminants by MWCNT adsorption in the environment.

  6. Linear free energy relationships for the adsorption of volatile organic compounds onto multiwalled carbon nanotubes at different relative humidities: comparison with organoclays and activated carbon. (United States)

    Li, Mei-Syue; Wang, Reuben; Fu Kuo, Dave Ta; Shih, Yang-Hsin


    Accurate prediction of the sorption coefficients of volatile organic compounds (VOCs) on carbon nanotubes (CNTs) is of major importance for developing an effective VOC removal process and risk assessment of released nanomaterial-carrying contaminants. The linear free energy relationship (LFER) approach was applied to investigate the adsorption mechanisms of VOCs on multiwalled CNTs (MWCNTs). The gas-solid partition coefficients (log Kd) of 17 VOCs were determined at 0%, 55%, and 90% relative humidity (RH). The cavity/dispersion interaction is generally the most influential adsorption mechanism for all RH cases. The hydrogen-accepting interactions declined but with constant hydrogen-donating interactions during the increase of RH, suggesting that the acidity of VOC was important in forming sorptive interaction with the MWCNT surface. Moreover, the comparison of log Kd of VOCs on MWCNTs and other sorbents revealed that the sorption performance of MWCNTs is much more stable over a wider range of RHs due to better site availability and site quality. Furthermore, for all 6 adsorbents in all RHs, the positive contribution of hydrogen bonding ability was found as compared to the negative one found for sorbents completely in water, indicating that the hydrogen-bond donor and acceptor on the sorbent surface contribute to the sorption in the gas phase. In conclusion, the LFER-derived coefficients can be useful in predicting the performance of VOC adsorption on adsorbents and in facilitating the design of efficient VOC removal systems.

  7. Synthesis, Structure and Spectroscopy of Two Structurally Related Hydrogen Bonded Compounds in the dpma/HClO4 System; dpma (dimethylphosphorylmethanamine

    Directory of Open Access Journals (Sweden)

    Guido J. Reiss


    Full Text Available The new phosphine oxide compound, (dimethylphosphorylmethanaminium perchlorate, dpmaHClO4 (1, was synthesized by the reaction of (dimethylphosphoryl methanamine (dpma with concentrated perchloric acid. (Dimethylphosphorylmethanaminium perchlorate (dimethylphosphorylmethanamine solvate, dpmaHClO4•dpma (2 was obtained by the slow evaporation of an equimolar methanolic solution of 1 and dpma at room temperature. For both compounds, single-crystal X-ray structures, IR and Raman spectra are reported. The assignment of the spectroscopic data were supported by quantum chemical calculations at the B3LYP/6-311G(2d,p level of theory. In 1, the dpmaH cations form polymeric, polar double-strands along [010] by head to tail connections via N–H∙∙∙O hydrogen bonds. The perchlorate anions are located between these strands attached by one medium strong and two weaker un-bifurcated hydrogen bonds (monoclinic, centrosymmetric space group C2/c, a = 17.8796(5 Å, b = 5.66867(14 Å, c = 17.0106(5 Å, β = 104.788(3°, V = 1666.9(1 Å3, Z = 8, T = 293 K, R(F [I > 2σ(I] = 0.0391, wR(F2 [all] = 0.1113. In 2, besides the N–H∙∙∙O hydrogen bonds, medium strong N–H∙∙∙N hydrogen bonds are present. One dpmaH cation and the neutral dpma molecule are connected head to tail by two N–H∙∙∙O hydrogen bonds forming a monocationic cyclic unit. These cyclic units are further connected by N–H∙∙∙O and N–H∙∙∙N hydrogen bonds forming polymeric, polar double-strands along [001]. The perchlorate anions fill the gaps between these strands, and each [ClO4]− anion is weakly connected to the NH2 group by one N–H∙∙∙O hydrogen bond (orthorhombic, non-centrosymmetric space group Pca21 (No. 29, a = 18.5821(5 Å, b = 11.4320(3 Å, c = 6.89400(17 Å, V = 1464.50(6 Å3, Z = 4, T = 100 K, R(F [I > 2σ(I] = 0.0234, wR(F2 [all] = 0.0575. Both structures are structurally related, and their commonalities are discussed in terms of a graph

  8. Antennular Morphology and Contribution of Aesthetascs in the Detection of Food-related Compounds in the Shrimp Palaemon adspersus Rathke, 1837 (Decapoda: Palaemonidae). (United States)

    Solari, Paolo; Sollai, Giorgia; Masala, Carla; Loy, Francesco; Palmas, Francesco; Sabatini, Andrea; Crnjar, Roberto


    Shrimp are an essential ecological component of marine ecosystems, and have commercial importance for human consumption and aquaculture. Like other decapod crustaceans, shrimp rely on chemical senses to detect and localize food resources by means of chemosensilla that are located mainly on the cephalothoracic appendages. Using the shrimp Palaemon adspersus, a model organism with omnivorous feeding behavior, we aimed to provide comparative information on the role of aesthetascs, antennular sensilla, and flicking behavior in food detection. To this end, we examined i) the morphology of antennular sensilla by field emission scanning electron microscopy, ii) the shrimp's sensitivity to a number of food-related compounds (amino acids and sugars) by means of whole-animal bioassays, and iii) the contribution of the aesthetasc sensilla to food detection. Our results showed that, aside from the aesthetascs, only three other main morphotypes of setae with chemoreceptive features were present in the antennules, thus accounting for relatively simple sensillar equipment. Nevertheless, we found broad-spectrum sensitivity of the shrimp to a number of amino acids (i.e., isoleucine, leucine, methionine, phenylalanine, glycine, tryptophan, cysteine, and tyrosine) and carbohydrates (trehalose, maltose, cellobiose, and fructose) that was consistent with the omnivorous or scavenging habits of the animal. Although aesthetasc ablation attenuated flicking behavior in a chemical stimulus-independent manner, success in detection and short-range localization of food did not rely on the presence of aesthetasc sensilla. This finding confirms the existence of a non-aesthetasc alternative pathway for feeding, with functional redundancy in simple generalist feeder models such as shrimp.

  9. Suitability of thin-layer chromatography-flame ionization detection with regard to quantitative characterization of different fossil fuel products. 1. FID performances and response of pure compounds related to fossil fuel products

    Energy Technology Data Exchange (ETDEWEB)

    Cebolla, V.L.; Vela, J.; Membrado, L.; Ferrando, A.C. [CSIC, Zaragoza (Spain). Inst. de Carboquimica, Dept. de Procesos Quimicos


    The performance of a modern TLC-FID system (which includes the newest detector configuration) was tested on polycyclic aromatic compound standards and related compounds as a preliminary step to evaluate its suitability for quantitative hydrocarbon group type analysis of different coal and petroleum products. FID linearity was evaluated as a function of sample load and scan speed for high-molecular-weight and semi-volatile standards. TLC-FID response factors for compounds of several homologous series were studied in order to differentiate effects of volatility from those exclusively due to the chemical nature concerning FID response. Criteria are developed for the accurate application of TLC-FID to fossil fuel samples. Measurements of chromarod temperatures were carried out in order to evaluate whether an evaporation of compounds outside the H{sub 2} flame might take place. 10 refs., 3 figs., 4 tabs.

  10. Semiconducting III-V compounds

    CERN Document Server

    Hilsum, C; Henisch, Heinz R


    Semiconducting III-V Compounds deals with the properties of III-V compounds as a family of semiconducting crystals and relates these compounds to the monatomic semiconductors silicon and germanium. Emphasis is placed on physical processes that are peculiar to III-V compounds, particularly those that combine boron, aluminum, gallium, and indium with phosphorus, arsenic, and antimony (for example, indium antimonide, indium arsenide, gallium antimonide, and gallium arsenide).Comprised of eight chapters, this book begins with an assessment of the crystal structure and binding of III-V compounds, f

  11. Rationale for Selection of Pesticides, Herbicides, and Related Compounds from the Hanford SST/DST Waste Considered for Analysis in Support of the Regulatory DQO (Privatization)

    Energy Technology Data Exchange (ETDEWEB)

    Wiemers, K.D.; Daling, P.; Meier, K.


    Regulated pesticides, herbicides, miticides, and fungicides were evaluated for their potential past and current use at the Hanford Site. The starting list of these compounds is based on regulatory analyte input lists discussed in the Regulatory DQO. Twelve pesticide, herbicide, miticide, and fungicide compounds are identified for analysis in the Hanford SST and DST waste in support of the Regulatory DQO. The compounds considered for additional analyses are non-detected, considered stable in the tank waste matrix, and of higher toxicity/carcinogenicity.

  12. Coefficient of work-hardening in stage-IV

    CSIR Research Space (South Africa)

    Nabarro, FRN


    Full Text Available The theory of work hardening in stage IV depends on the relation between the relative misorientation Psi of neighbouring subgrains and the plastic strain gamma (Psi = B gamma exp). The value of the constant B is suggested to be better related...

  13. 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.


    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

  14. Research in collegiate mathematics education IV

    CERN Document Server

    Dubinsky, Ed; Kaput, Jim


    This fourth volume of Research in Collegiate Mathematics Education (RCME IV) reflects the themes of student learning and calculus. Included are overviews of calculus reform in France and in the U.S. and large-scale and small-scale longitudinal comparisons of students enrolled in first-year reform courses and in traditional courses. The work continues with detailed studies relating students' understanding of calculus and associated topics. Direct focus is then placed on instruction and student comprehension of courses other than calculus, namely abstract algebra and number theory. The volume co

  15. New Materials for NGNP/Gen IV

    Energy Technology Data Exchange (ETDEWEB)

    Robert W. Swindeman; Douglas L. Marriott


    The bounding conditions were briefly summarized for the Next Generation Nuclear Plant (NGNP) that is the leading candidate in the Department of Energy Generation IV reactor program. Metallic materials essential to the successful development and proof of concept for the NGNP were identified. The literature bearing on the materials technology for high-temperature gas-cooled reactors was reviewed with emphasis on the needs identified for the NGNP. Several materials were identified for a more thorough study of their databases and behavioral features relative to the requirements ASME Boiler and Pressure Vessel Code, Section III, Division 1, Subsection NH.

  16. Plutonium(IV) precipitates formed in alkaline media in the presence of various anions

    Energy Technology Data Exchange (ETDEWEB)

    Krot, N.N.; Shilov, V.P.; Yusov, A.B.; Tananaev, I.G.; Grigoriev, M.S.; Garnov, A.Yu.; Perminov, V.P.; Astafurova, L.N.


    The tendency of Pu(IV) to hydrolyze and form true solutions, colloid solutions, or insoluble precipitates has been known since the Manhattan Project. Since then, specific studies have been performed to examine in detail the equilibria of Pu(IV) hydrolytic reactions in various media. Great attention also has been paid to the preparation, structure, and properties of Pu(IV) polymers or colloids. These compounds found an important application in sol-gel technology for the preparation of nuclear fuel materials. A most important result of these works was the conclusion that Pu(IV) hydroxide, after some aging, consists of very small PuO{sub 2} crystallites and should therefore be considered to be Pu(IV) hydrous oxide. However, studies of the properties and behavior of solid Pu(IV) hydroxide in complex heterogeneous systems are rare. The primary goal of this investigation was to obtain data on the composition and properties of Pu(IV) hydrous oxide or other compounds formed in alkaline media under different conditions. Such information is important to understand Pu(IV) behavior and the forms of its existence in the Hanford Site alkaline tank waste sludge. This knowledge then may be applied in assessing plutonium criticality hazards in the storage, retrieval, and treatment of Hanford Site tank wastes as well as in understanding its contribution to the transuranic waste inventory (threshold at 100 nCi/g or about 5 {times} 10{sup {minus}6} M) of the separate solution and solid phases.

  17. Relations between land use and organochlorine pesticides, PCBs, and semi-volatile organic compounds in streambed sediment and fish on the island of Oahu, Hawaii. (United States)

    Brasher, A M D; Wolff, R H


    Bed-sediment and/or fish samples were collected from 27 sites around the island of Oahu (representing urban, agricultural, mixed, and forested land use) to determine the occurrence and distribution of hydrophobic organic compounds including organochlorine pesticides, polychlorinated biphenyls (PCBs), and semi-volatile organic compounds (SVOCs). Of the 28 organochlorine compounds analyzed in the fish, 14 were detected during this study. Nineteen of the 31 organochlorine compounds and 40 of the 65 SVOCs were detected in the sediment. Urban sites had the highest number of detections and tended to have the highest concentrations of pesticides. Chlordane compounds were the most frequently detected constituents at urban sites, followed by dieldrin, polycyclic aromatic hydrocarbons (PAHs), and DDT compounds. PAHs were the most frequently detected constituents in watersheds with mixed (urban and agricultural) land use. The only pesticides detected at agricultural sites were DDT and its degradation products, DDD and DDE. No pesticides or PCBs were detected at the forested sites, but a few ubiquitous SVOCs were found in sediments at some forested sites. In general, concentrations of the most frequently detected pesticides were higher in fish than in sediment. Following a trend that has been observed elsewhere in the nation, concentrations of most organochlorine pesticides and PCBs are decreasing in Hawaii.

  18. Magnesium compounds (United States)

    Kramer, D.A.


    Seawater and natural brines accounted for about 52 percent of U.S. magnesium compounds production in 2006. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties from well brines in Michigan. Caustic-calcined magnesia was recovered from sea-water by Premier Chemicals in Florida; from well brines in Michigan by Martin Marietta and Rohm and Haas; and from magnesite in Nevada by Premier Chemicals. Intrepid Potash-Wendover and Great Salt Lake Minerals recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from brucite by Applied Chemical Magnesias in Texas, from seawater by SPI Pharma in Delaware and Premier Chemicals in Florida, and by Martin Marietta and Rohm and Haas from their operations mentioned above. About 59 percent of the magnesium compounds consumed in the United States was used for refractories that are used mainly to line steelmaking furnaces. The remaining 41 percent was consumed in agricultural, chemical, construction, environmental and industrial applications.

  19. Alle har en historie, IV

    DEFF Research Database (Denmark)

    Ydegaard, Torbjørn

    Alle har en historie IV: Pædagogik med Freedom Writers lader et væld af pædagogiske facetter udspringe af den kendte skole-film Freedom Writers’ scener og handlinger. Der er både fokus på en almen tilgang til pædagogik og på Freedom Writer-metodikken, dels gennem de filmscener, der sættes til...

  20. Human peripheral blood mononuclear cell in vitro system to test the efficacy of food bioactive compounds: Effects of polyunsaturated fatty acids and their relation with BMI. (United States)

    Cifre, Margalida; Díaz-Rúa, Rubén; Varela-Calviño, Rubén; Reynés, Bàrbara; Pericás-Beltrán, Jordi; Palou, Andreu; Oliver, Paula


    To analyse the usefulness of isolated human peripheral blood mononuclear cells (PBMC) to rapidly/easily reflect n-3 long-chain polyunsaturated fatty acid (LCPUFA) effects on lipid metabolism/inflammation gene profile, and evaluate if these effects are body mass index (BMI) dependent. PBMC from normoweight (NW) and overweight/obese (OW/OB) subjects were incubated with physiological doses of docosahexaenoic (DHA), eicosapentaenoic acid (EPA), or their combination. PBMC reflected increased beta-oxidation-like capacity (CPT1A expression) in OW/OB but only after DHA treatment. However, insensitivity to n-3 LCPUFA was evident in OW/OB for lipogenic genes: both PUFA diminished FASN and SREBP1C expression in NW, but no effect was observed for DHA in PBMC from high-BMI subjects. This insensitivity was also evident for inflammation gene profile: all treatments inhibited key inflammatory genes in NW; nevertheless, no effect was observed in OW/OB after DHA treatment, and EPA effect was impaired. SLC27A2, IL6 and TNFα PBMC expression analysis resulted especially interesting to determine obesity-related n-3 LCPUFA insensitivity. A PBMC-based human in vitro system reflects n-3 LCPUFA effects on lipid metabolism/inflammation which is impaired in OW/OB. These results confirm the utility of PBMC ex vivo systems for bioactive-compound screening to promote functional food development and to establish appropriate dietary strategies for obese population. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Release of chlorinated, brominated and mixed halogenated dioxin-related compounds to soils from open burning of e-waste in Agbogbloshie (Accra, Ghana). (United States)

    Tue, Nguyen Minh; Goto, Akitoshi; Takahashi, Shin; Itai, Takaaki; Asante, Kwadwo Ansong; Kunisue, Tatsuya; Tanabe, Shinsuke


    Although complex mixtures of dioxin-related compounds (DRCs) can be released from informal e-waste recycling, DRC contamination in African e-waste recycling sites has not been investigated. This study examined the concentrations of DRCs including chlorinated, brominated, mixed halogenated dibenzo-p-dioxins/dibenzofurans (PCDD/Fs, PBDD/Fs, PXDD/Fs) and dioxin-like polychlorinated biphenyls (DL-PCBs) in surface soil samples from the Agbogbloshie e-waste recycling site in Ghana. PCDD/F and PBDD/F concentrations in open burning areas (18-520 and 83-3800 ng/g dry, respectively) were among the highest reported in soils from informal e-waste sites. The concentrations of PCDFs and PBDFs were higher than those of the respective dibenzo-p-dioxins, suggesting combustion and PBDE-containing plastics as principal sources. PXDFs were found as more abundant than PCDFs, and higher brominated analogues occurred at higher concentrations. The median total WHO toxic equivalent (TEQ) concentration in open burning soils was 7 times higher than the U.S. action level (1000 pg/g), with TEQ contributors in the order of PBDFs>PCDD/Fs>PXDFs. DRC emission to soils over the e-waste site as of 2010 was estimated, from surface soil lightness based on the correlations between concentrations and lightness, at 200mg (95% confidence interval 93-540 mg) WHO-TEQ over three years. People living in Agbogbloshie are potentially exposed to high levels of not only chlorinated but also brominated DRCs, and human health implications need to be assessed in future studies. Copyright © 2015 Elsevier B.V. All rights reserved.

  2. Hepatic CYP1A induction by chlorinated dioxins and related compounds in the endangered black-footed albatross from the North Pacific. (United States)

    Kubota, Akira; Watanabe, Mafumi; Kunisue, Tatsuya; Kim, Eun-Young; Tanabe, Shinsuke; Iwata, Hisato


    The present study assesses effects of dioxins and related compounds (DRCs) including polychlorinated dibenzo-p-dioxins, polychlorinated dibenzofurans, and dioxin-like polychlorinated biphenyls (DL-PCBs) on cytochrome P450 1A (CYP1A) expression level in liver of black-footed albatrosses (Phoebastria nigripes) collected from the North Pacific. Total 2,3,7,8-tetrachlorodibenzo-p-dioxin (2,3,7,8-T(4)CDD) toxic equivalents (TEQs) derived from toxic equivalency factor for birds proposed by World Health Organization were in the range of 2100 to 10 000 pg/g lipid wt (120-570 pg/g wet wt). Simultaneously, microsomal alkoxyresorufin O-dealkylase (AROD) activities, including methoxy-, ethoxy-, pentoxy-, and benzyloxy-resorufin O-dealkylase activities were also measured in the same specimens. Total TEQs and TEQ (on wet wt basis) from some individual DRC congeners had significant positive correlations with AROD activities, suggesting induction of CYP1A by DRCs. Congeners like 2,3,7,8-T(4)CDD and most of the DL-PCBs that showed no significant positive correlations between the concentrations and AROD activities, exhibited significant negative correlations between AROD activities and the concentration ratio of the congener to a recalcitrant CB169, suggesting preferential metabolism of these congeners by induced CYP1A. As far as we know, this is the first direct evidence revealing that hepatic CYP1A level is elevated with the accumulation of DRCs in the wild black-footed albatross population. The present study gives more robust estimate of impacts of DRCs on CYP1A induction in this rare pelagic species than indexes like hazard quotient and TEQ-threshold comparison that have been so far carried out.

  3. Investigation of compound-independent calibration and partial molecular formula determination by gas chromatography-atomic-emission detection for characterisation of organophosphorus and organosulfur agents related to the chemical weapons convention. (United States)

    Juillet, Yannick; Gibert, Edmond; Bégos, Arlette; Bellier, Bruno


    Atomic-emission detection (AED) is a technique particularly-well suited to screening complex samples for multiple compounds containing heteroatoms such as phosphorus, sulfur, or nitrogen, which are especially relevant in verification of chemical disarmament. Among other GC detectors, AED has unique characteristics such as compound-independent calibration and possible raw-formula determination. Because contradictory results have been reported on these points, we set up a study with the objectives not only of applying these techniques to chemical weapons convention-related chemicals but of determining under which conditions they would yield satisfactory results. The extensive data collected in this study are evidence that the response of the detector, particularly for the phosphorus line, is very dependent on the molecular mass and concentration of the chemicals analysed whereas molecular structure seems to have less effect on the AED signal. Most interestingly, compound-independent calibration and subsequent partial molecular formula determination usually seem satisfactory when the reference compounds used to calibrate the system have GC retention times and molecular masses close to those of the unknown analytes (whose molecular mass may be determined by GC-CI-MS). We therefore suggest the use of a reference set of compounds covering a large chromatographic window, which enables the selection, within this set, of the most appropriate reference compound for calibration and for determination of the raw formula of an unknown analyte. For optimal performance, the use of a new discharge tube is also recommended.

  4. Uranium(IV) Chloride Complexes: UCl62-and an Unprecedented U(H2O)4Cl4Structural Unit. (United States)

    Wacker, Jennifer N; Vasiliu, Monica; Huang, Kevin; Baumbach, Ryan E; Bertke, Jeffery A; Dixon, David A; Knope, Karah E


    The room temperature synthesis and structural characterization of two U(IV) compounds isolated from acidic aqueous solution is reported. Evaporation of a U(IV)/HCl solution containing pyridinium (HPy) yielded (HPy) 2 UCl 6 (1), yet in the presence of an organic carboxylate U(H 2 O) 4 Cl 4 ·(HPy·Cl) 2 (2) is obtained. The structures have been determined by single crystal X-ray diffraction and characterized by Raman, IR, and optical spectroscopies. The magnetism of both compounds was also investigated. The structure of 1 is built from UCl 6 2- anionic units, pervasive in descriptions of the aqueous chemistry of tetravalent uranium, and is found to undergo a phase transition from C2/m to P1̅ upon cooling. By comparison, the structure of 2 contains a neutral U(IV)-aquo-chloro complex, U(H 2 O) 4 Cl 4 , for which there is no literature precedence. Density functional theory calculations were performed to predict the geometries, vibrational frequencies, and relative energetics of the UCl 6 2- and U(H 2 O) 4 Cl 4 units. The energetics of the reaction of U(H 2 O) 4 Cl 4 to form the dianion are predicted to be exothermic in the gas phase and in aqueous solution. The predicted energetics coupled with no previous solid state reports of a U(IV)-aquo-chloro complex may point toward the importance of hydrogen bonding and other supramolecular interactions, prevalent in the structures of 1 and 2, on the stabilization and/or crystallization of the U(H 2 O) 4 Cl 4 structural unit.

  5. Gamma-Secretase/Notch Signalling Pathway Inhibitor RO4929097 in Treating Patients With Stage IV Melanoma (United States)


    Acral Lentiginous Malignant Melanoma; Lentigo Maligna Malignant Melanoma; Nodular Malignant Melanoma; Recurrent Melanoma; Solar Radiation-related Skin Melanoma; Stage IV Melanoma; Superficial Spreading Malignant Melanoma

  6. Magnetoelectric and multiferroic properties of ternary copper chalcogenides (Cu2MMS4)-M-II-S-IV

    NARCIS (Netherlands)

    Nenert, G.; Palstra, T. T. M.


    We investigate theoretically the ternary copper chalcogenides with the general formula (Cu2MMS4)-M-II-S-IV. This family of compounds can crystallize in two different non-centrosymmetric structures, I (4) over bar 2m or Pnm2(1). We show that all the reported members of (Cu2MMS4)-M-II-S-IV having the

  7. Magnesium compounds (United States)

    Kramer, D.A.


    Seawater and natural brines accounted for about 57 percent of magnesium compounds produced in the United States in 2011. Dead-burned magnesia was produced by Martin Marietta Magnesia Specialties LLC from well brines in Michigan. Caustic-calcined magnesia was recovered from seawater by Premier Magnesia LLC in Florida, from well brines in Michigan by Martin Marietta and from magnesite in Nevada by Premier Magnesia. Intrepid Potash Wendover LLC and Great Salt Lake Minerals Corp. recovered magnesium chloride brines from the Great Salt Lake in Utah. Magnesium hydroxide was produced from seawater by SPI Pharma Inc. in Delaware and Premier Magnesia in Florida, and by Martin Marietta from its brine operation in Michigan.

  8. Bismaleimide compounds (United States)

    Adams, Johnnie E.; Jamieson, Donald R.


    Bismaleimides of the formula ##STR1## wherein R.sub.1 and R.sub.2 each independently is H, C.sub.1-4 -alkyl, C.sub.1-4 -alkoxy, C1 or Br, or R.sub.1 and R.sub.2 together form a fused 6-membered hydrocarbon aromatic ring, with the proviso that R.sub.1 and R.sub.2 are not t-butyl or t-butoxy; X is O, S or Se; n is 1-3; and the alkylene bridging group, optionally, is substituted by 1-3 methyl groups or by fluorine, form polybismaleimide resins which have valuable physical properties. Uniquely, these compounds permit extended cure times, i.e., they remain fluid for a time sufficient to permit the formation of a homogeneous melt prior to curing.

  9. Novel N-substituted aminobenzamide scaffold derivatives targeting the dipeptidyl peptidase-IV enzyme

    Directory of Open Access Journals (Sweden)

    Al-Balas QA


    Full Text Available Qosay A Al-Balas,1 Munia F Sowaileh,1 Mohammad A Hassan,1 Amjad M Qandil,1,2 Karem H Alzoubi,3 Nizar M Mhaidat,3 Ammar M Almaaytah,4 Omar F Khabour51Department of Medicinal Chemistry and Pharmacognosy, Faculty of Pharmacy, Jordan University of Science and Technology, Irbid, Jordan; 2Pharmaceutical Sciences Department, College of Pharmacy, King Saud bin Abdulaziz University for Health Sciences, Riyadh, Saudi Arabia; 3Department of Clinical Pharmacy, Faculty of Pharmacy, Jordan University of Science and Technology, Irbid, Jordan; 4Department of Pharmaceutical Technology, Faculty of Pharmacy, Jordan University of Science and Technology, Irbid, Jordan; 5Department of Medical Laboratory Sciences, Faculty of Applied Medical Sciences, Jordan University of Science and Technology, Irbid, JordanBackground: The dipeptidyl peptidase-IV (DPP-IV enzyme is considered a pivotal target for controlling normal blood sugar levels in the body. Incretins secreted in response to ingestion of meals enhance insulin release to the blood, and DPP-IV inactivates these incretins within a short period and stops their action. Inhibition of this enzyme escalates the action of incretins and induces more insulin to achieve better glucose control in diabetic patients. Thus, inhibition of this enzyme will lead to better control of blood sugar levels.Methods: In this study, computer-aided drug design was used to help establish a novel N-substituted aminobenzamide scaffold as a potential inhibitor of DPP-IV. CDOCKER software available from Discovery Studio 3.5 was used to evaluate a series of designed compounds and assess their mode of binding to the active site of the DPP-IV enzyme. The designed compounds were synthesized and tested against a DPP-IV enzyme kit provided by Enzo Life Sciences. The synthesized compounds were characterized using proton and carbon nuclear magnetic resonance, mass spectrometry, infrared spectroscopy, and determination of melting point.Results: Sixty

  10. 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


    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.


    NARCIS (Netherlands)

    De Graaf, W.; de Leeuw, J.W.


    Abstract of WO 9412450 (A1) The invention relates to a method of preparing sulfur-containing compounds, comprising reacting a sulfur compound with a compound containing unsaturated carbon-carbon bonds, wherein in a solvent one or more compounds containing non-activated unsaturated carbon-carbon

  12. Effects of difructose dianhydride (DFA)-IV on in vitro fertilization in pigs. (United States)

    Yi, Young-Joo; Kamala-Kannan, S; Lim, Jeong-Muk; Oh, Byung-Taek; Lee, Sang-Myeong


    Difructose dianhydride IV (DFA-IV) is produced from levan, which is a natural polysaccharide that belongs to the fructan family, through the activity of levan fructotransferase (LF) derived from microorganisms. Recently, DFA-IV has been expected to have diverse applications in the food and medical industry. Here, we examined the potential application of DFA-IV forin vitro fertilization (IVF) in pigs. In the assessment of acrosomal integrity during incubation, intact acrosomal or viable spermatozoa were highly sustained in 0.1% or 0.25% DFA-IV (69.8%-70.8%,PDFA-IV, and 0.1%-0.5% DFA-IV in particular significantly decreased ROS production relative to that seen with no addition or 0.75% DFA-IV. Total fertilization (mono+ polyspermic oocyte) rate was significantly higher in the addition of 0.1% DFA-IV (94.2%) than with other concentrations (71.8%-86.7%,PDFA-IV significantly increased the fertilization rate (PDFA-IV exhibited higher embryonic development and blastocyst formation than those treated with other concentrations (PDFA-IV during IVF improved fertilization and embryonic development, suggesting the possible use of novel sugars for enhancement of assisted reproductive technology (ART) in mammals.

  13. Screening for anabolic steroids and related compounds in illegal cocktails by liquid chromatography/time-of-flight mass spectrometry and liquid chromatography/quadrupole time-of-flight tandem mass spectrometry with accurate mass measurement

    NARCIS (Netherlands)

    Nielen, M.W.F.; Vissers, J.P.C.; Fuchs, R.E.M.; Velde, van J.W.; Lommen, A.


    Findings of illegal hormone preparations such as syringes, bottles, cocktails, and so on, are an important information source for the nature of the current abuse of anabolic steroids and related compounds as growth-promoting agents in cattle. A new screening method for steroids in cocktails is

  14. Genetics Home Reference: mucopolysaccharidosis type IV (United States)

    ... types of mucopolysaccharidosis, MPS IV does not affect intelligence. The life expectancy of individuals with MPS IV ... GM1-gangliosidosis and Morquio B patients: possible common origin for the prevalent p.R59H mutation among gypsies. ...


    Directory of Open Access Journals (Sweden)



    Full Text Available The present paper presents the evaluation of a mixed mode column (reversed phase and cation exchange performance for the separation of 12 catecholamines, indolamines and their precursors and metabolites. The influence of different parameters, like organic modifier nature and percentage, salts nature and percentage, on the compounds separation was investigated. Good separation of the 12 selected compounds was obtained in the isocratic mode using a mobile phase composed of 90 % methanol and 10% ammonium acetate 20 mM, however the analysis time was excessively long (80 minutes. Thus an elution gradient was optimized and it reduced the analysis time to less than half (35 minutes.

  16. Nomenclature of chemical compounds

    Directory of Open Access Journals (Sweden)

    Karolina Kaczmarek


    Full Text Available This article presents the mechanisms of the inorganic chemistry nomenclature formation in French language. It shows the structure and the way of presenting the names of chemical compounds either descriptively or by giving the structural formulas’ characteristics, their transcription and order of reading the letters. The text specifies the rules of naming a chemical compound, according to the criteria of IUPAC (Union of Pure and Applied Chemistry, the organisation responsible for digesting the chemical nomenclature. The article contains the transcription chart and the manner of reading the structural formula, also called latero-numerical. Additionally, there is information conceming the usage of the common names given, still remaining in use next to the names compatible with those of IUPAC. Particular types of chemical compounds have served as models for description of other nomenclature formation rules from the simplest structures to the complicated compound ones. A short summary presents the relations and similarities between the names of particular types of chemical compounds.

  17. 21 CFR 1308.14 - Schedule IV. (United States)


    ... 21 Food and Drugs 9 2010-04-01 2010-04-01 false Schedule IV. 1308.14 Section 1308.14 Food and Drugs DRUG ENFORCEMENT ADMINISTRATION, DEPARTMENT OF JUSTICE SCHEDULES OF CONTROLLED SUBSTANCES Schedules § 1308.14 Schedule IV. (a) Schedule IV shall consist of the drugs and other substances, by...

  18. The Titan IV launch vehicle (United States)

    Morrissey, Arthur C.; O'Neill, Stephen T.


    Titan launch vehicles have been contributing to the national space accomplishments for more than 20 years. As the U.S. space program has grown, the Titan family has expanded to meet the changing requirements. The dependability and versatility of Titan vehicles have been demonstrated by their selection for various missions, including strategic intercontinental ballistic missile weapon systems, manned Gemini space flights, NASA interplanetary missions, and critical national security programs. This article summarizes the Titan legacy and is an overview of the newest Titan family member - the Titan IV.

  19. Simultaneous Determination of 8 Compounds in Gancao-Ganjiang-Tang by HPLC-DAD and Analysis of the Relations between Compatibility, Dosage, and Contents of Medicines

    Directory of Open Access Journals (Sweden)

    Yanfang Yang


    Full Text Available Gancao-Ganjiang-Tang (GGT is a traditional Chinese medicine (TCM prescription and is a representative prescription for recuperating depleted Yang in Treatise on Febrile Diseases. The TCM theory believes that the efficacy of medicinal herbs is decided by the multicompounds which consist of different kinds of chemical constituents with bioactivities, but not by a monomeric constituent. From ancient times until today, GGT have 5 different kinds of compatibilities that can be verified. In this study, a HPLC-DAD method was established for the simultaneous determination of 8 compounds including 6-gingerol, 8-gingerol, 6-shogaol, liquiritin, liquiritigenin, isoliquiritin, isoliquiritigenin, and glycyrrhizic acid in the five GGT. The total contents of the 8 compounds in GGT varied from 555.56 to 956.33 μg/mL. The effects showed that the dosage and compatibility of medicinal herbs have influenced the content of chemical compounds of TCM prescription while the content of chemical compounds has acted on clinical efficacy. Quality evaluation and active essence screening of TCM (including single herb and prescription should be based on the TCM theory and clinical effectiveness. The method was proven to be suitable for quality control of GGT.

  20. Perfluoroalkyl compounds in relation to life-history and reproductive parameters in bottlenose dolphins (Tursiops truncatus) from Sarasota Bay, Florida, USA

    NARCIS (Netherlands)

    Houde, M.; Balmer, B.C.; Brandsma, S.H.; Wells, R.S.; Rowles, T.K.; Solomon, K.R.; Muir, D.C.G.


    Perfluoroalkyl compounds (PFCs) were determined in plasma, milk, and urine of free-ranging bottlenose dolphins (Tursiops truncatus) from Sarasota Bay (FL, USA) during three winter and two summer capture-and-release programs (2002¿ 2005). Plasma and urine samples were extracted using an ion-pairing

  1. Relative developmental toxicity of glycol ether alkoxy acid metabolites in the embryonic stem cell test as compared with the in vivo potency of their parent compounds

    NARCIS (Netherlands)

    Jong, E. de; Louisse, J.; Verwei, M.; Blaauboer, B.J.; Sandt, J.J.M. van de; Woutersen, R.A.; Rietjens, I.M.C.M.; Piersma, A.H.


    The embryonic stem cell test (EST) has been proposed as an in vitro assay that might reduce animal experimentation in regulatory developmental toxicology. So far, evaluation of the EST was not performed using compounds within distinct chemical classes. Evaluation within a distinct class of

  2. Acid-base properties of sorbents based on zirconium(IV) phosphates

    Energy Technology Data Exchange (ETDEWEB)

    Bekrenev, A.V. [Research Center of Environmental Safety, St. Petersburg (Russian Federation); Pyartman, A.K. [St. Petersburg Institute of Technology (Russian Federation)


    The objective of this work was to investigate the acid-base properties of materials based on zirconium(IV) phosphate and diphosphate and to calculate the equilibrium constants for corresponding heterogeneous reactions of binary ion exchange, that is, to calculate the characteristics of the ion-exchange properties for use in calculating more complicated ion-exchange equilibria. The objects of investigation were zirconium(IV) hydroxyphosphate (ZHP) and zirconium(IV) diphosphate (ZDP), as well as composite materials based on said compounds and a porous support material.

  3. New insight into the central benzodiazepine receptor-ligand interactions: design, synthesis, biological evaluation, and molecular modeling of 3-substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds. (United States)

    Anzini, Maurizio; Valenti, Salvatore; Braile, Carlo; Cappelli, Andrea; Vomero, Salvatore; Alcaro, Stefano; Ortuso, Francesco; Marinelli, Luciana; Limongelli, Vittorio; Novellino, Ettore; Betti, Laura; Giannaccini, Gino; Lucacchini, Antonio; Daniele, Simona; Martini, Claudia; Ghelardini, Carla; Di Cesare Mannelli, Lorenzo; Giorgi, Gianluca; Mascia, Maria Paola; Biggio, Giovanni


    3-Substituted 6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepines and related compounds were synthesized as central benzodiazepine receptor (CBR) ligands. Most of the compounds showed high affinity for bovine and human CBR, their K(i) values spanning from the low nanomolar to the submicromolar range. In particular, imidazoester 5f was able to promote a massive flow of (36)Cl(-) in rat cerebrocortical synaptoneurosomes overlapping its efficacy profile with that of a typical full agonist. Compound 5f was then examined in mice for its pharmacological effects where it proved to be a safe anxiolytic agent devoid of the unpleasant myorelaxant and amnesic effects of the classical 1,4-benzodiazepines. Moreover, the selectivity of some selected compounds has been assessed in recombinant α(1)β(2)γ(2)L, α(2)β(1)γ(2)L, and α(5)β(2)γ(2)L human GABA(A) receptors. Finally, some compounds were submitted to molecular docking calculations along with molecular dynamics simulations in the Cromer's GABA(A) homology model. © 2011 American Chemical Society

  4. BCS class IV drugs: Highly notorious candidates for formulation development. (United States)

    Ghadi, Rohan; Dand, Neha


    BCS class IV drugs (e.g., amphotericin B, furosemide, acetazolamide, ritonavir, paclitaxel) exhibit many characteristics that are problematic for effective oral and per oral delivery. Some of the problems associated include low aqueous solubility, poor permeability, erratic and poor absorption, inter and intra subject variability and significant positive food effect which leads to low and variable bioavailability. Also, most of the class IV drugs are substrate for P-glycoprotein (low permeability) and substrate for CYP3A4 (extensive pre systemic metabolism) which further potentiates the problem of poor therapeutic potential of these drugs. A decade back, extreme examples of class IV compounds were an exception rather than the rule, yet today many drug candidates under development pipeline fall into this category. Formulation and development of an efficacious delivery system for BCS class IV drugs are herculean tasks for any formulator. The inherent hurdles posed by these drugs hamper their translation to actual market. The importance of the formulation composition and design to successful drug development is especially illustrated by the BCS class IV case. To be clinically effective these drugs require the development of a proper delivery system for both oral and per oral delivery. Ideal oral dosage forms should produce both a reasonably high bioavailability and low inter and intra subject variability in absorption. Also, ideal systems for BCS class IV should produce a therapeutic concentration of the drug at reasonable dose volumes for intravenous administration. This article highlights the various techniques and upcoming strategies which can be employed for the development of highly notorious BCS class IV drugs. Some of the techniques employed are lipid based delivery systems, polymer based nanocarriers, crystal engineering (nanocrystals and co-crystals), liquisolid technology, self-emulsifying solid dispersions and miscellaneous techniques addressing the P

  5. Creep in generation IV nuclear applications

    Energy Technology Data Exchange (ETDEWEB)

    Rissanen, L. (VTT Technical Research Centre of Finland, Espoo (Finland))


    Nuclear power has an important role in fulfilling the world's growing energy needs and reducing the carbon dioxide emission. Six new, innovative nuclear energy systems have been identified and selected for further development by the international Generation Four International Forum (GIF). These generation four (Gen IV) nuclear energy systems include a variety of reactor, energy conversion and fuel cycle technologies. The successful development and deployment of these largely depend on the performance and reliability of the available structural materials. These potential materials need to sustain their mechanical properties up to high temperatures, high neutron doses and corrosive environments of the new or enhanced types of coolants. Current knowledge on material properties, material-coolant interaction and especially material degradation processes in these new environments are limited. This paper gives an overview of the Gen IV material issues with special emphasis on European design of supercritical light water reactor concept high performance light water reactor (HPLWR). The challenges for the structural materials and the components most likely to suffer from creep and creep-irradiation are highlighted. Some results from relatively short term creep testing in supercritical water are presented for AISI 316NG, 347H and 1.4970 steels. The 1.4970 steel was superior in creep and oxidation resistance (orig.)

  6. Study of retention properties of fluoro-apatite carbonate relative to Ni(II), Am(III) and Th(IV); Etude des proprietes de retention des carbonate fluoroapatites vis-a-vis de Ni(II), Am(III) et Th(IV)

    Energy Technology Data Exchange (ETDEWEB)

    Perrone, Jane [Inst. de Physique Nucleaire, Paris-11 Univ., 91 - Orsay (France)


    Apatite minerals and particularly the carbonated species (francolites), are characterized by their chemical and geological stability and also by their capacity to retain durably a large number of elements. Therefore, they should be able to improve the retention properties of the engineered barriers of a deep geological nuclear waste repository. But there is a wide variety of francolites, so we focused our study on a synthetic carbonate fluoro-apatite of formula: Ca{sub 10}(PO{sub 4}){sub 5}(CO{sub 3})(F,OH){sub 3} and on a natural apatite. We first studied their solubility which is an important criterion for the choice of the materials. A particular attention was also paid to the determination of their surface characteristics and to the study of the radionuclide/solution interactions. Sorption experiments have been performed for the three radionuclides and the influence of various parameters has been investigated. The modelling of the sorption isotherms with surface complexation models leads us to estimate the values of the constants associated to the equilibria under consideration. We have also demonstrated that the phosphate ions of the solution participate to the immobilization of americium as the AmPO{sub 4},xH{sub 2}O compound. Both apatites show high retention levels for the actinides: the sorption is quite total over all the pH range studied and the Kd values are close to 10{sup 4} m{sup 3} kg{sup -1}. Consequently, the use of apatites could be considered as a specific solution for the immobilisation of heavy elements, specially actinides. Moreover, the results indicate that high amounts of carbonates and impurities do not alter the retention properties of francolites. This bears out the feasibility of the use of natural apatites as additives for the engineered barrier materials. (author)

  7. Proceedings of the 1990 Annual Meeting of the Association for Education in Journalism and Mass Communication (73rd, Minneapolis, Minnesota, August 1-4, 1990). Part IV: Public Relations Studies. (United States)

    Association for Education in Journalism and Mass Communication.

    The public relations studies section of the proceedings includes the following seven papers: "Ethical Inclinations of Public Relations Practitioners" (Cornelius B. Pratt); "Losing Control: An Examination of the Management Function in Public Relations" (Martha M. Lauzen); "Shifting the Public Relations Paradigm: A Theory of…

  8. Hausa verbal compounds

    NARCIS (Netherlands)

    McIntyre, Joseph Anthony


    Verbal compounds abound in Hausa (a Chadic language). A very broad definition of Hausa verbal compounds (henceforth: VC) is “a compound with a verb”. Four types of verbal compound are analysed: V[erb]+X compounds, PAC+V compounds (a PAC is a pronoun complex indicating TAM), VCs with a ma prefix

  9. A comprehensive proteome map of glandular trichomes of hop (Humulus lupulus L.) female cones: Identification of biosynthetic pathways of the major terpenoid-related compounds and possible transport proteins. (United States)

    Champagne, Antoine; Boutry, Marc


    Female flowers of hop (Humulus lupulus) are an essential source of terpenoid-related compounds, which are mainly used as flavoring in the beer brewing process. The compounds involved are bitter acids, terpenophenolics, as well as mono- and sesquiterpenoids. In this work, we analyzed the proteome of purified glandular trichomes (lupulin glands) from female flowers, which produce and accumulate these compounds. An extensive 2D-LC-MS/MS analysis identified 1015 proteins. Of these, most correspond to housekeeping and primary metabolism-related proteins, albeit predominantly including amino acid and lipid metabolism, which feeds the specialized (secondary) metabolism. Indeed, 75 proteins belong to the specialized metabolism. No less than 40 enzymes are involved in the synthesis of terpenoid-derived compounds and 21 are predicted transporters, some of which might be involved in the transport of specialized metabolites. We discuss the possible routes involved in the intra- and intercellular translocation of terpenoids and their precursors. This comprehensive proteomic map of the glandular trichomes of hop female flowers represents a valuable resource to improve our knowledge on the function of glandular trichomes. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  10. Amine and Titanium (IV Chloride, Boron (III Chloride or Zirconium (IV Chloride-Promoted Baylis-Hillman Reactions

    Directory of Open Access Journals (Sweden)

    Shi-Cong Cui


    Full Text Available The Baylis-Hillman reactions of various aryl aldehydes with methyl vinyl ketone at temperatures below -20oC using Lewis acids such as titanium (IV chloride, boron (III chloride or zirconium (IV chloride in the presence of a catalytic amount of selected amines used as a Lewis bases afford the chlorinated compounds 1 as the major product in very high yields. Acrylonitrile can also undergo the same reaction to give the corresponding chlorinated product in moderate yield. A plausible reaction mechanism is proposed. However, if the reaction was carried out at room temperature (ca. 20oC, then the Z-configuration of the elimination product 3, derived from 1, was formed as the major product.

  11. Chemical characteristics of dicarboxylic acids and related organic compounds in PM2.5 during biomass-burning and non-biomass-burning seasons at a rural site of Northeast China. (United States)

    Cao, Fang; Zhang, Shi-Chun; Kawamura, Kimitaka; Liu, Xiaoyan; Yang, Chi; Xu, Zufei; Fan, Meiyi; Zhang, Wenqi; Bao, Mengying; Chang, Yunhua; Song, Wenhuai; Liu, Shoudong; Lee, Xuhui; Li, Jun; Zhang, Gan; Zhang, Yan-Lin


    Fine particulate matter (PM2.5) samples were collected using a high-volume air sampler and pre-combusted quartz filters during May 2013 to January 2014 at a background rural site (47∘35 N, 133∘31 E) in Sanjiang Plain, Northeast China. A homologous series of dicarboxylic acids (C2-C11) and related compounds (oxoacids, α-dicarbonyls and fatty acids) were analyzed by using a gas chromatography (GC) and GC-MS method employing a dibutyl ester derivatization technique. Intensively open biomass-burning (BB) episodes during the harvest season in fall were characterized by high mass concentrations of PM2.5, dicarboxylic acids and levoglucosan. During the BB period, mass concentrations of dicarboxylic acids and related compounds were increased by up to >20 times with different factors for different organic compounds (i.e., succinic (C4) acid > oxalic (C2) acid > malonic (C3) acid). High concentrations were also found for their possible precursors such as glyoxylic acid (ωC2), 4-oxobutanoic acid, pyruvic acid, glyoxal, and methylglyoxal as well as fatty acids. Levoglucosan showed strong correlations with carbonaceous aerosols (OC, EC, WSOC) and dicarboxylic acids although such good correlations were not observed during non-biomass-burning seasons. Our results clearly demonstrate biomass burning emissions are very important contributors to dicarboxylic acids and related compounds. The selected ratios (e.g., C3/C4, maleic acid/fumaric acid, C2/ωC2, and C2/levoglucosan) were used as tracers for secondary formation of organic aerosols and their aging process. Our results indicate that organic aerosols from biomass burning in this study are fresh without substantial aging or secondary production. The present chemical characteristics of organic compounds in biomass-burning emissions are very important for better understanding the impacts of biomass burning on the atmosphere aerosols. Copyright © 2017 Elsevier Ltd. All rights reserved.

  12. Characterisation of nicotine and related compounds using electrospray ionisation with ion trap mass spectrometry and with quadrupole time-of-flight mass spectrometry and their detection by liquid chromatography/electrospray ionisation mass spectrometry. (United States)

    Smyth, Thomas J; Ramachandran, V N; McGuigan, Alex; Hopps, Jason; Smyth, W Franklin


    Electrospray ionisation ion trap mass spectrometry (ESI-MS(n)) has been used to study the fragmentation patterns of nicotine and nine of its related compounds. From this study certain characteristic fragmentations are apparent with generally the pyrrolidine or piperidine ring being subject to chemical modifications. The structures of the product ions proposed for the ESI-MS(n) study have been supported by results from electrospray ionisation quadrupole time-of-flight mass spectrometry (ESI-QTOF-MS). Compounds with pyrrolidine and piperidine rings that possess an unsubstituted N atom have been shown to lose NH(3) at the MS(2) stage. Those compounds with N-methyl groups lose CH(3)NH(2) at the MS(2) stage. The loss of NH(3) or CH(3)NH(2) leaves the corresponding rings opened and this is followed by ring closure at the pyridine-2 carbon atom. Mono-N-oxides fragment in a similar way but the di-N-oxide can also fragment by cleavage of the bond between the pyridine and pyrrolidine rings. Cotinine also can undergo cleavage of this bond between the rings. This data therefore provides useful information on how substituents and the nature of the non-pyridine ring can affect the fragmentation patterns of nicotine and its related compounds. This information can be used in the characterisation of these compounds by liquid chromatography/electrospray ionization mass spectrometry (LC/ESI-MS) which results in the separation of nicotine and its related compounds with limits of detection (LODs) ranging from 15 to 105 ng/mL. The use of LC/ESI-MS to study nicotine-containing samples resulted in the simultaneous and unambiguous identification of seven of the compounds discussed in this paper: cotinine identified at retention time 12.5 min (with its [M+H](+) ion at m/z 177), nornicotine 16.0 min (m/z 149), anatabine 18.0 min (m/z 161), myosmine 18.5 min (m/z 147), anabasine 20.4 min (m/z 163), nicotine 22.2 min (m/z 163), and nicotyrine 31.4 min (m/z 159). For quality control of nicotine

  13. Offspring of prenatal IV nicotine exposure exhibit increased sensitivity to the reinforcing effects of methamphetamine

    Directory of Open Access Journals (Sweden)

    Steven Brown Harrod


    Full Text Available Maternal smoking during pregnancy is associated with increased substance abuse in offspring. Preclinical research shows that in utero exposure to nicotine, the primary psychoactive compound in tobacco smoke, influences the neurodevelopment of reward systems and alters motivated behavior in offspring. The present study determined if prenatal nicotine (PN exposure altered the sensitivity to the reinforcing and aversive effects of methamphetamine (METH in offspring using a low dose, intravenous (IV exposure method. Pregnant dams were administered nicotine (0.05 mg/kg/injection or prenatal saline (PS 3×/day on gestational days 8-21, and adult offspring were tested using METH self-administration (experiment 1 or METH-induced conditioned taste aversion (CTA; experiment 2 procedures. For METH self-administration, animals were trained to respond for IV METH (0.05 mg/kg/injection; fixed-ratio 3 and they were tested on varying doses the reinforcer (0.0005-1.0 mg/kg/injection. For METH CTA, rats received three saccharin and METH pairings (0, 0.3, or 0.5 mg/kg, sc followed by fourteen da