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Sample records for biphenyl diphosphine ligand

  1. Niobium tetrahalide complexes with neutral diphosphine ligands.

    Science.gov (United States)

    Benjamin, Sophie L; Chang, Yao-Pang; Hector, Andrew L; Jura, Marek; Levason, William; Reid, Gillian; Stenning, Gavin

    2016-05-10

    The reactions of NbCl4 with diphosphine ligands o-C6H4(PMe2)2, Me2PCH2CH2PMe2 or Et2PCH2CH2PEt2 in a 1 : 2 molar ratio in MeCN solution produced eight-coordinate [NbCl4(diphosphine)2]. [NbBr4(diphosphine)2] (diphosphine = o-C6H4(PMe2)2 or Me2PCH2CH2PMe2) were made similarly from NbBr4. X-ray crystal structures show that [NbCl4{o-C6H4(PMe2)2}2] has a dodecahedral geometry, but the complexes with dimethylene-backboned diphosphines are distorted square antiprisms. The Nb-P distances and niobium tetrabromide, conveniently made from NbCl4 and BBr3, is a chain polymer with edge-linked NbBr6 octahedra and alternating long and short Nb-Nb distances, the latter ascribed to Nb-Nb bonds. PMID:27094082

  2. Heterometallic Effects in Trinuclear Complexes Supported by p-Terphenyl Diphosphine Ligands

    OpenAIRE

    Horak, Kyle T.; Lin, Sibo; Rittle, Jonathan; Agapie, Theodor

    2015-01-01

    A series of isostructural trinuclear complexes of metal composition Pd_2Fe, Pd_2Co, and Ni_2Fe was synthesized in a stepwise fashion. Using dinuclear precursors (Pd^I_2 and Ni_^I_2) supported by p-terphenyl diphosphine ligands allowed for the selective incorporation of a single additional metal center. The effects of both metal composition and ligand electronics on cluster properties were studied. These results highlight the importance of metal–metal interactions in mixed-metal sites of struc...

  3. Stabilizing subnanometer Ag(0) nanoclusters by thiolate and diphosphine ligands and their crystal structures

    Science.gov (United States)

    Yang, Huayan; Wang, Yu; Zheng, Nanfeng

    2013-03-01

    The combined use of thiolate and diphosphine as surface ligands helps to stabilize subnanometer Ag(0) nanoclusters, resulting in the successful crystallization of two Ag(0)-containing nanoclusters (Ag16 and Ag32) for X-ray single crystal analysis. Both clusters have core-shell structures with Ag86+ and Ag2212+ as their cores, which are not simply either fragments of face-centered cubic metals or their five-fold twinned counterparts. The clusters display UV-Vis absorption spectra consisting of molecule-like optical transitions.The combined use of thiolate and diphosphine as surface ligands helps to stabilize subnanometer Ag(0) nanoclusters, resulting in the successful crystallization of two Ag(0)-containing nanoclusters (Ag16 and Ag32) for X-ray single crystal analysis. Both clusters have core-shell structures with Ag86+ and Ag2212+ as their cores, which are not simply either fragments of face-centered cubic metals or their five-fold twinned counterparts. The clusters display UV-Vis absorption spectra consisting of molecule-like optical transitions. Electronic supplementary information (ESI) available: Experimental details, more pictures of the structure and XPS spectra of the clusters. CCDC 916463 and 916464. For ESI and crystallographic data in CIF or other electronic format see DOI: 10.1039/c3nr34328f

  4. New Diphosphine Ligands Containing Ethyleneglycol and Amino Alcohol Spacers for the Rhodium-Catalyzed Carbonylation of Methanol

    OpenAIRE

    Thomas, Christophe M; Mafua, Roger; Therrien, Bruno; Rusanov, Eduard; Stoeckli-Evans, Helen; Süss-Fink, Georg

    2006-01-01

    The new diphosphine ligands Ph2PC6H4C(O)X(CH2)2OC(O)C6H4PPh2 (1: X=NH; 2: X=NPh; 3: X=O) and Ph2PC6H4C(O)O(CH2)2O(CH2)2OC(O)C6H4PPh2 (5) as well as the monophosphine ligand Ph2PC6H4C(O)X(CH2)2OH (4) have been prepared from 2-diphenylphosphinobenzoic acid and the corresponding amino alcohols or diols. Coordination of the diphosphine ligands to rhodium, iridium, and platinum resulted in the formation of the square-planar complexes [(PP)Rh(CO)Cl] (6: PP=1; 7: PP=2; 8: PP=3), [(PP)Rh(CO)Cl]2 (9: ...

  5. Systematic Introduction of Aromatic Rings to Diphosphine Ligands for Emission Color Tuning of Dinuclear Copper(I) Iodide Complexes.

    Science.gov (United States)

    Okano, Yuka; Ohara, Hiroki; Kobayashi, Atsushi; Yoshida, Masaki; Kato, Masako

    2016-06-01

    We have newly synthesized two solution-stable luminescent dinuclear copper(I) complexes, [Cu2(μ-I)2(dpppy)2] (Cu-py) and [Cu2(μ-I)2(dpppyz)2] (Cu-pyz), where dpppy = 2,3-bis(diphenylphosphino)pyridine and dpppyz = 2,3-bis(diphenylphosphino)pyrazine, using chelating diphosphine ligands composed of N-heteroaromatic rings. X-ray analysis clearly indicates that the molecular structures of Cu-py and Cu-pyz are almost identical with that of the parent complex, [Cu2(μ-I)2(dppb)2] [Cu-bz; dppb = 2,3-bis(diphenylphosphino)benzene]. Complexes Cu-py and Cu-pyz exhibit luminescence [emission quantum yield (Φem) = 0.48 and 0.02, respectively] in the solid state at 298 K. A wide emission color tuning, from 497 to 638 nm (energy = 0.55 eV, with an emission color ranging from green to reddish-orange), was achieved in the solid state by the introduction of pyridinic N atoms into the bridging phenyl group between the two diphenylphosphine groups. Density functional theory calculations suggest that the emission could originate from the effective combination of the metal-to-ligand charge-transfer excited state with the halide-to-ligand charge-transfer excited state. Thus, the emission color change is due to stabilization of the π* levels of the central aryl group in the diphosphine ligand. Furthermore, these copper(I) complexes exhibit thermally activated delayed fluorescence at 298 K because of the small singlet-triplet energy difference (ΔE = 523 and 564 cm(-1) for Cu-py and Cu-pyz, respectively). The stability of these complexes in chloroform, due to the rigid bonds between the diphosphine ligands and the Cu(I) ions, enables the preparation of emissive poly(methyl methacrylate) films by the solution-doping technique. PMID:27152774

  6. Covalent attachment of diphosphine ligands to glassy carbon electrodes via Cu-catalyzed alkyne-azide cycloaddition. Metallation with Ni(II).

    Science.gov (United States)

    Das, Atanu K; Engelhard, Mark H; Lense, Sheri; Roberts, John A S; Bullock, R Morris

    2015-07-21

    Covalent tethering of P(Ph)2N(C6H4C≡CH)2 ligands (P(Ph)2N(C6H4C≡CH)2 = 1,5-di-(4-ethynylphenyl)-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane) to planar, azide-terminated glassy carbon electrode surfaces has been accomplished using a Cu(I)-catalyzed alkyne-azide cycloaddition (CuAAC) coupling reaction, using a BH3←P protection-deprotection strategy. Deprotected, surface-confined ligands were metallated using [Ni(II)(MeCN)6](BF4)2. X-ray photoelectron spectroscopic measurements demonstrate that metallation introduced 1.3 equivalents Ni(II) per diphosphine onto the electrode surface. Exposure of the surface to a second diphosphine ligand, P(Ph)2N(Ph)2, resulted in the removal of Ni from the surface. Protection, coupling, deprotection, and metallation conditions were optimized using solution-phase model systems, with benzyl azide as a model for the azide-terminated carbon surface; these reactions generate a [Ni(II)(diphosphine)2](2+) complex. PMID:25811536

  7. The chemistry of polypyridine complexes of ruthenium. Communication 5. Electronic structure of mixed-ligand bipyridyl-diphosphine complexes of ruthenium(2)

    International Nuclear Information System (INIS)

    Comparative analysis of donor-acceptor abilities of diphosphine ligands for two series of complex compounds: cis-[Ru(bpy)2(LL)q+ [LL=2,2'-bipyridyl(bpy), o-benzoquinonediimine (bqdi), cis-1,2-bis(diphenylphosphino)ethane, cis-1,2-bis(diphenylphosphino)ethylene (dppen), (NH3)2 and (CO)2] and [Ru(NH3)4(LL)]2+ (LL = bpy, dppen and bqdi) was carried out on the basis of results of quantum chemical calculations. It is shown that diphosphines are the strongest σ-donors; their π-acceptor abilities stemming from d-orbitals of phosphorus are comparable in value with π-acceptor abilities of 2,2'-bipyridyl, being essentially lower than those of o-benzoquinonediimine and carbonyl

  8. Studies of technetium and rhenium diphosphine complexes, and some cationic technetium complexes of Schiff base ligands, as myocardial imaging agents

    International Nuclear Information System (INIS)

    The ultimate goal of this research is the development of an efficacious /sup 99m/Tc myocardial imaging agent. This thesis describes (i) the application of inorganic and analytical techniques to the preparation and characterization of cationic technetium-99 and rhenium complexes in macroscopic amounts, and (ii) the preparation and biological evaluation of these, and other, complexes using /sup 99m/Tc and 186Re at the very low concentrations of these isotopes encountered in nuclear medicine. The 99Tc and Re complexes have been characterized by classical chemical techniques including (1) single-crystal x-ray analysis, (2) elemental analysis, (3) spectroscopy (IR, visible-UV, and/or NMR), (4) extended x-ray absorption fine structure analysis (EXAFS), (5) electrochemistry, and (6) high performance liquid chromatography analysis (HPLC). The /sup 99m/Tc complexes have been characterized by comparison of their HPLC retention times with the retention times of standard solutions of their 99Tc analogues. Thus HPLC comprises the link between macroscopic 99Tc chemistry and microscopic /sup 99m/Tc chemistry. Cationic diphosphine complexes of technetium were prepared in the V, III, and I oxidation states. These cationic complexes, prepared with /sup 99m/Tc, were evaluated as myocardial imaging agents in different animal models. In vivo evaluation of the 186Re-diphosphine analogs has provided insight into the role played by oxidation-reduction processes in determining myocardial accumulation of the /sup 99m/Tc-diphosphine complexes

  9. Synthesis of New MeO-BIPHEP-type Chiral Diphosphines by an Improved Way

    Institute of Scientific and Technical Information of China (English)

    MA Meng-Lin; PENG Zong-Hai; CHEN Li; GUO Yu; CHEN Hua; LI Xian-Jun

    2006-01-01

    In this paper, a series of new optically active MeO-BIPHEP-type ligands, (S)-6,6'-dimethoxy-2,2'-bis(dip-alkoxyphenyl-phosphine)-1,1'-biphenyl [(S)-5b-(S)-5e] were prepared and characterized. Starting from the commercially available triethyl phosphorite and m-bromoanisole, an optically active (S)-6,6'-dimethoxybiphenyl-2,2'-diyl-bis(phosphonic acid diester) was prepared by an improved way and converted to the corresponding dichlorides, which was used as a key intermediate to react with p-alkoxybenzenemagnesium bromide or p-alkoxyphenyl lithium to directly give the enantiomerically pure diphosphines 5.

  10. Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate Ligand R,R-QuinoxP

    Czech Academy of Sciences Publication Activity Database

    Das, A. K.; Bulak, E.; Sarkar, B.; Lissner, F.; Schleid, T.; Niemeyer, M.; Fiedler, Jan; Kaim, W.

    2008-01-01

    Roč. 27, č. 2 (2008), s. 218-223. ISSN 0276-7333 R&D Projects: GA MŠk OC 139; GA MŠk OC 140 Institutional research plan: CEZ:AV0Z40400503 Keywords : 2,3-bis(tert-butylmethylphosphino)quinoxaline * radical complexes * phosphine ligand Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 3.815, year: 2008

  11. Eu(Ⅲ) complexes involving 1,3,5-triazine diphosphine oxides

    Institute of Scientific and Technical Information of China (English)

    O.Pietraszkiewicz; M.Pietraszkiewicz; J.Karpiuk; M.Jesie(n)

    2009-01-01

    The 1,3,5-triazine diphosphine oxide ligands with donor-acceptor properties formed strong complexes with europium(Ⅲ) ion in acetonitrile.Spectrophotometric titrations and mass spectra indicated that two ligands coordinated to one europium ion.The stability constants varied from 11.64 to 14.60 (log β).Binary complexes exhibited rather weak luminescence in solution.1,3,5-triazine diphosphine oxides engaged as co-ligands in Eu(Ⅲ) (2-thenoyltrifluoroacetonate)3 complex contributed to the overall photoluminescence and allowed for excitation with longer wavelengths than the parent complex.

  12. Facile P-C/C-H Bond Cleavage Reactivity of Nickel Bis(diphosphine) Complexes

    Energy Technology Data Exchange (ETDEWEB)

    Zhang, Shaoguang; Li, Haixia; Appel, Aaron M.; Hall, Michael B.; Bullock, R. Morris

    2016-07-04

    Unusual cleavage of P-C and C-H bonds of the P2N2 ligand in heteroleptic [Ni(P2N2)(diphosphine)]2+ complexes results in the formation of an iminium formyl nickelate featuring a C,P,P-tridentate coordination mode.

  13. An exceptional P-H phosphonite: Biphenyl-2,2'-bisfenchylchlorophosphite and derived ligands (BIFOPs in enantioselective copper-catalyzed 1,4-additions

    Directory of Open Access Journals (Sweden)

    Neudörfl J-M

    2005-08-01

    Full Text Available Abstract Biphenyl-2,2'-bisfenchol (BIFOL based chlorophosphite, BIFOP-Cl, exhibits surprisingly high stabilities against hydrolysis as well as hydridic and organometallic nucleophiles. Chloride substitution in BIFOP-Cl proceeds only under drastic conditions. New enantiopure, sterically demanding phosphorus ligands such as a phosphoramidite, a phosphite and a P-H phosphonite (BIFOP-H are hereby accessible. In enantioselective Cu-catalyzed 1,4-additions of ZnEt2 to 2-cyclohexen-1-one, this P-H phosphonite (yielding 65% ee exceeds even the corresponding phosphite and phosphoramidite.

  14. Luminescent gold-silver complexes derived from neutral bis(perfluoroaryl)diphosphine gold(I) precursors.

    Science.gov (United States)

    Bojan, R Vilma; Czerwieniec, Rafal; Laguna, Antonio; Lasanta, Tania; López-de-Luzuriaga, José M; Monge, Miguel; Olmos, M Elena; Yersin, Harmut

    2013-03-28

    Complex [Au{4-C(6)F(4)(4-C(6)BrF(4))}(tht)] reacts with diphosphines (L-L) such as bis(diphenylphosphino)methane (dppm) or 1,2-bis(diphenylphosphino)benzene (dppb) in a 2 : 1 molar ratio in dichloromethane, leading to neutral products of stoichiometry [(Au{4-C(6)F(4)(4-C(6)BrF(4))})(2)(μ-L-L)] (L-L = dppm (1), dppb (2)). In the crystal structure of complex 2 short Au···Au interactions of 2.9367(5) and 2.9521(5) Å appear. This complex displays an orange emission, which is assigned to arise from a charge transfer transition from a metal centered Au-Au orbital to an orbital located at the diphosphine ligand. Addition of silver trifluoroacetate to these complexes in a 1 : 1 or a 2 : 1 molar ratio generates polymeric heterometallic gold-silver compounds of stoichiometry [Ag(2)Au(2){4-C(6)F(4)(4-C(6)BrF(4))}(2)(CF(3)CO(2))(2)(μ-L-L)](n) (L-L = dppm (3), dppb (4)), which confirms the capability of the neutral [(Au{4-C(6)F(4)(4-C(6)BrF(4))})(2)(μ-diphosphine)] units to act as electron density donors when treated with a Lewis acid substrate. These heterometallic derivatives show blue emissions indicating large HOMO-LUMO band gaps, due to the stabilization that the gold-based HOMO orbitals suffer when the electron withdrawing silver trifluoroacetate fragments interact with them. PMID:23340740

  15. Interpenetrating 2D Manganese(Ⅱ) Coordination Polymer Supported by 4,4'-Bis(dimethoxyphosphorylmethyl)-biphenyl Ligands

    Institute of Scientific and Technical Information of China (English)

    ZHANG Xiangdong; GE Chunhua; YIN Jing; ZHAO Yang; HE Cui

    2009-01-01

    A novel coordination polymer [Mn(bdpbp)2(NO3)2] n (1), where bdpbp=4,4'-bis(dimethoxyphosphoryl-methyl)biphenyl, was prepared under mild condition. The structure has been determined by single-crystal X-ray diffraction analyses and further characterized by elemental analyses, IR spectra, luminescent property and thermo-gravimetric analyses. Structure of 1 exhibits infinite grid frameworks and forms two fold interpenetrating nets.Weak C--H…O hydrogen bonds ensure the formation and stability of a three dimensional supramolecular network.

  16. Double hydrophosphination of alkynes promoted by rhodium: the key role of an N-heterocyclic carbene ligand.

    Science.gov (United States)

    Di Giuseppe, Andrea; De Luca, Roberto; Castarlenas, Ricardo; Pérez-Torrente, Jesús J; Crucianelli, Marcello; Oro, Luis A

    2016-04-12

    The regioselective double hydrophosphination of alkynes mediated by rhodium catalysts is presented. The distinctive stereoelectronic properties of the NHC ligand prevent the catalyst deactivation by diphosphine coordination thereby allowing for the closing of a productive catalytic cycle. PMID:27022648

  17. A three-dimensional mixed-valence Cu(II)/Cu(I) coordination polymer constructed from biphenyl-3,4',5-tricarboxylate and 1,4-bis(1H-imidazol-1-yl)benzene ligands.

    Science.gov (United States)

    Liu, Ya Hui; Lu, Li Ping; Zhu, Miao Li; Su, Feng

    2016-04-01

    Coordination polymers (CPs) built by coordination bonds between metal ions/clusters and multidentate organic ligands exhibit fascinating structural topologies and potential applications as functional solid materials. The title coordination polymer, poly[diaquabis(μ4-biphenyl-3,4',5-tricarboxylato-κ(4)O(3):O(3'):O(4'):O(5))tris[μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ(2)N(3):N(3')]dicopper(II)dicopper(I)], [Cu(II)2Cu(I)2(C15H7O6)2(C12H10N4)3(H2O)2]n, was crystallized from a mixture of biphenyl-3,4',5-tricarboxylic acid (H3bpt), 1,4-bis(1H-imidazol-1-yl)benzene (1,4-bib) and copper(II) chloride in a water-CH3CN mixture under solvothermal reaction conditions. The asymmetric unit consists of two crystallographically independent Cu atoms, one of which is Cu(II), while the other has been reduced to the Cu(I) ion. The Cu(II) centre is pentacoordinated by three O atoms from three bpt(3-) ligands, one N atom from a 1,4-bib ligand and one O atom from a coordinated water molecule, and the coordination geometry can be described as distorted trigonal bipyramidal. The Cu(I) atom exhibits a T-shaped geometry (CuN2O) coordinated by one O atom from a bpt(3-) ligand and two N atoms from two 1,4-bib ligands. The Cu(II) atoms are extended by bpt(3-) and 1,4-bib linkers to generate a two-dimensional network, while the Cu(I) atoms are linked by 1,4-bib ligands, forming one-dimensional chains along the [20-1] direction. In addition, the completely deprotonated μ4-η(1):η(1):η(1):η(1) bpt(3-) ligands bridge one Cu(I) and three Cu(II) cations along the a (or [100]) direction to form a three-dimensional framework with a (10(3))2(10)2(4(2).6.10(2).12)2(4(2).6.8(2).10)2(8) topology via a 2,2,3,4,4-connected net. An investigation of the magnetic properties indicated a very weak ferromagnetic behaviour. PMID:27045187

  18. Synthèse de mono et diphosphines dérivées d'amino acides ou de peptides, appliquées en chimie de coordination et pour le greffage de fullerène C60

    OpenAIRE

    Minois, Pauline,

    2013-01-01

    The synthesis of secondary phosphine borane amino acids or dipeptides and their applications for the preparation of chiral ligands or for the grafting of fullerene, is described. These compounds were synthesized in good yield (up to 98%) without racemization. The principle of the synthesis is based on the alkylation of primary phosphine borane with a γ-iodo amino acid using phase transfer conditions. Tertiary diphosphine amino acids are obtained with 70% yield after a second alkylation. These...

  19. Copper bis(diphosphine) complexes: radiopharmaceuticals for the detection of multi-drug resistance in tumours by PET

    International Nuclear Information System (INIS)

    Experience with imaging of the multi-drug resistance (MDR) phenotype in tumours using technetium-99m sestamibi, a substrate of the P-glycoprotein (Pgp) transporter, suggests that better quantification of images and separation of MDR from other variables affecting tracer uptake in tumours are required. One approach to these problems is the development of short half-life positron-emitting tracers which are substrates of Pgp. Several lipophilic cationic copper(I) bis(diphosphine) complexes labelled with copper-64 have been synthesised and evaluated in vitro as substrates for Pgp. The synthesis is rapid and efficient with no need for purification steps. The chemistry is suitable for use with very short half-life radionuclides such as copper-62 (9.7 min) and copper-60 (23.7 min). Incubation of the complexes with human serum in vitro showed that they are sufficiently stable in serum to support clinical imaging, and the more lipophilic members of the series are taken up rapidly by cells (Chinese hamster ovary and human ovarian carcinoma) in vitro with great avidity. Uptake in human ovarian carcinoma cells is significantly reduced after several months of conditioning in the presence of doxorubicin, which induces increased Pgp expression. Uptake in hooded rat sarcoma (HSN) cells, which express Pgp, is significantly increased in the presence of the MDR modulator cyclosporin A. Biodistribution studies in hooded rats show rapid blood clearance, excretion through both kidneys and liver, and low uptake in other tissues. The one complex investigated in HSN tumour-bearing rats showed uptake in tumour increasing up to 30 min p.i. while it was decreasing in other tissues. We conclude that diphosphine ligands offer a good basis for development of radiopharmaceuticals containing copper radionuclides, and that this series of complexes should undergo further evaluation in vivo as positron emission tomography imaging agents for MDR. (orig.)

  20. [NiFe] dithiolene diphosphine complex for hydrogen gas activation: a Theoretic Insight

    CERN Document Server

    GuYan, Jing

    2015-01-01

    A diphosphino-nickel-iron dithiolene complex, [Ni(bdt)(dppf)] (bdt = 1,2-benzenedithiolate, dppf = 1,1-bis(diphenylphosphino)ferrocene), has been recently found to be reasonably active on proton reduction to dihydrogen (J. Am. Chem. Soc. 2015, 137, 1109). Interestingly, this exceptional complex was found to be also reactive towards dihydrogen activation as indicated by the electrochemical investigation. However, a pure nickel dithiolene diphosphine theoretical mode, excluding the contributions from iron moiety, was applied to attribute the experimental catalytic observation. We have re-visited the theoretical approach in details for this [NiFe] catalyst and compared it with the non-active nickel dithiolene diphosphine complexes. We found that both nickel and iron moieties in this newly developed complex were imperative for the observed catalytic per-formance, particularly towards the activation of dihydrogen.

  1. Enantioselective Alternating Copolymerization of Propylene with Carbon Monoxide Using Cationic Palladium-Chiral Diphosphine Catalyst

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    Enantioselective alternating copolymerization of carbon monoxide with propylene was carried out using palladium catalyst modified by 1,4-3,6-dianhydro-2,5-dideoxy-2,5-bis (diphenylphosphino)-L-iditol (DDPPI). The chiral diphosphine was proved to be effective at enantioselective copolymerization. Optical rotation, elemental analysis, 1H, 13C-NMR and IR spectra showed that the copolymer was optically active, isotactic, alternating poly(1,4-ketone) structure.

  2. Enantiomerically pure bithiophene diphosphine oxides as catalysts for direct double aldol reactions.

    Science.gov (United States)

    Genoni, Andrea; Benaglia, Maurizio; Rossi, Sergio; Celentano, Giuseppe

    2013-10-01

    The direct aldol reaction between aryl methyl ketones with aromatic aldehydes in the presence of tetrachlorosilane and a catalytic amount of a chiral bithiophene diphosphine oxide was studied; the product of double aldol addition was isolated as diacetate in good diastereoselectivity (up to 95:5) and enantioselectivities up to 91%. The reaction with heteroaromatic aldehydes was also investigated leading to the corresponding 1,3 diols, in some cases with excellent stereoselectivities. PMID:23744602

  3. Rational design of cyclopropane-based chiral PHOX ligands for intermolecular asymmetric Heck reaction

    Directory of Open Access Journals (Sweden)

    Marina Rubina

    2014-07-01

    Full Text Available A novel class of chiral phosphanyl-oxazoline (PHOX ligands with a conformationally rigid cyclopropyl backbone was synthesized and tested in the intermolecular asymmetric Heck reaction. Mechanistic modelling and crystallographic studies were used to predict the optimal ligand structure and helped to design a very efficient and highly selective catalytic system. Employment of the optimized ligands in the asymmetric arylation of cyclic olefins allowed for achieving high enantioselectivities and significantly suppressing product isomerization. Factors affecting the selectivity and the rate of the isomerization were identified. It was shown that the nature of this isomerization is different from that demonstrated previously using chiral diphosphine ligands.

  4. Diphosphine dioxides as extractants for actinides (in connection with the problem of anomalous aryl strengthening of complexes)

    International Nuclear Information System (INIS)

    Extraction study of uranylnitrate, plutonium in trivalent, tetravalent and gexavalent states and trivalent americium, curium, praseodymium and promethium by alkyl, aromatic and mixed diphosphine dioxides is briefly outlined. The influence of diphosphine dioxide structures on their extraction capacity and, in particular, the problem of anomalous aryl strengthening of compounds, both of entropy and binding character, are considered. Perchlorate media, as opposed to nitrate ones, are characteristic for their high distribution coefficients and extraction equilibrium constants. Anomalous aryl strengthening of trivalent lanthanides and actinides can be applied, at the minimum, for solution purifications from the traces of actinides and lanthanides

  5. 6,6'-二硝基-2,2'-联苯酸铀(Ⅵ)配聚物%Uranium(Ⅵ) Coordination Polymer with 6,6'-dinitro-biphenyl-2,2'-dicarboxylic Acid Ligand

    Institute of Scientific and Technical Information of China (English)

    瞿志荣

    2007-01-01

    Uranium(Ⅵ) complex {[UO2((R,S)-1,1'-biphenyl-6,6'-dinitro-2,2'-dicarboxylate)(H2O)](H2O)} was obtained by the hydrothermal treatment of UO2(NO3)2·6H2O with (R,S)-6,6'-dinitro-biphenyl-2,2'-dicarboxylic acid(BSNCA) (L) in water at 180 ℃ in Pyrex tube. The crystal belongs to triclinic system, space group P-1, with a=0.903 45(14) nm, b=1.02443(16) nm, c=1.058 95(16) nm, α=90.411(3)°,β=112.934(3)°, γ=92.554(3)°. CCDC: 659613.

  6. Structural characterization of Pandoraea pnomenusa B-356 biphenyl dioxygenase reveals features of potent polychlorinated biphenyl-degrading enzymes.

    Directory of Open Access Journals (Sweden)

    Christopher L Colbert

    Full Text Available The oxidative degradation of biphenyl and polychlorinated biphenyls (PCBs is initiated in Pandoraea pnomenusa B-356 by biphenyl dioxygenase (BPDO(B356. BPDO(B356, a heterohexameric (αβ(3 Rieske oxygenase (RO, catalyzes the insertion of dioxygen with stereo- and regioselectivity at the 2,3-carbons of biphenyl, and can transform a broad spectrum of PCB congeners. Here we present the X-ray crystal structures of BPDO(B356 with and without its substrate biphenyl 1.6-Å resolution for both structures. In both cases, the Fe(II has five ligands in a square pyramidal configuration: H233 Nε2, H239 Nε2, D386 Oδ1 and Oδ2, and a single water molecule. Analysis of the active sites of BPDO(B356 and related ROs revealed structural features that likely contribute to the superior PCB-degrading ability of certain BPDOs. First, the active site cavity readily accommodates biphenyl with minimal conformational rearrangement. Second, M231 was predicted to sterically interfere with binding of some PCBs, and substitution of this residue yielded variants that transform 2,2'-dichlorobiphenyl more effectively. Third, in addition to the volume and shape of the active site, residues at the active site entrance also apparently influence substrate preference. Finally, comparison of the conformation of the active site entrance loop among ROs provides a basis for a structure-based classification consistent with a phylogeny derived from amino acid sequence alignments.

  7. Estrogenicity of selected biphenyls evaluated using a recombinant yeast assay

    Energy Technology Data Exchange (ETDEWEB)

    Schultz, T.W.; Kraut, D.H.; Sayler, G.S.; Layton, A.C. [Univ. of Tennessee, Knoxville, TN (United States)

    1998-09-01

    The estrogenic activity of biphenyl and 4-hydroxylated derivatives with varied levels of chloro- and/or hydroxyl substitution was measured in a Saccharomyces cerevisiae-based lac-Z ({beta}-galactosidase) reporter assay, {beta}-Galactosidase activity was compared with competitive binding to soluble mouse uterine estrogen receptor protein. The comparison of relative potency for biphenyls hydroxylated on one ring and chlorinated on the other ring (n = 5) revealed excellent correlation between the two systems (r{sup 2} = 0.995). However, estrogenicities of biphenyls hydroxylated and chlorinated on the same ring were not in agreement. Although weak ligand binding was demonstrated for these compounds, {beta}-galactosidase activity was not observed. Rather, these compounds were shown to be cytotoxic to yeast. The results of this study further support the hypothesis that both an unhindered phenolic ring and molecular symmetry are structural features associated with estrogenicity.

  8. Hydrothermal Synthesis, Crystal Structure and Luminescence Properties of a New 2D Cadmium Complex Based on the 4,4'-Bis(benzimidazol-1-ylmethy1)biphenyl and Glutaric Acid Ligands

    Institute of Scientific and Technical Information of China (English)

    TAO Zhao-Lin; QIN Ling; CUI Jie-Hu; ZHENG He-Gen

    2013-01-01

    A new polymeric complex {[Cd2(bbmb)2(gt)2]·(H2O)2}n (bbmb =4,4'-bis(benzimidazol-1-ylmethy1)biphenyl,H2gt =glutaric acid) has been obtained by hydrothermal method and structurally characterized by elemental analysis,IR,XRD,TGA and single-crystal X-ray diffraction.The complex belongs to the triclinic system,space group P(-1) with a =10.2417(15),b =13.752(2),c =22.201(3) (A),a =73.899(2),β =88.416(2),γ =78.305(2)°,V =2940.4(7) (A)3,Z =2,C66H56Cd2N8O8,Mr =1313.99,Dc =1.484 g/cm3,F(000) =1336 andμ =0.787 mm-1,and features a 2D network.In the solid state at room temperature,the cadmium(Ⅱ) complex exhibits strong fluorescence absorption at 435 nm (λmax).

  9. Thermic decomposition of biphenyl

    International Nuclear Information System (INIS)

    Liquid and vapour phase pyrolysis of very pure biphenyl obtained by methods described in the text was carried out at 400 C in sealed ampoules, the fraction transformed being always less than 0.1 per cent. The main products were hydrogen, benzene, terphenyls, and a deposit of polyphenyls strongly adhering to the walls. Small quantities of the lower aliphatic hydrocarbons were also found. The variation of the yields of these products with a) the pyrolysis time, b) the state (gas or liquid) of the biphenyl, and c) the pressure of the vapour was measured. Varying the area and nature of the walls showed that in the absence of a liquid phase, the pyrolytic decomposition takes place in the adsorbed layer, and that metallic walls promote the reaction more actively than do those of glass (pyrex or silica). A mechanism is proposed to explain the results pertaining to this decomposition in the adsorbed phase. The adsorption seems to obey a Langmuir isotherm, and the chemical act which determines the overall rate of decomposition is unimolecular. (author)

  10. Palladium complexes containing diphosphine and sulfonated phosphine ligands for c-c bond forming reactions. catalytic and mechanistic studies

    OpenAIRE

    García Suárez, Eduardo José

    2007-01-01

    El uso de compuestos de paladio(II) para catalizar reacciones de copolimerización de monóxido de carbono y olefinas así como otros tipos de reacciones de formación de enlaces C-C muestra un creciente interés, prueba de ello es el importante numero de publicaciones realizadas en estos últimos años.En catálisis una de las mayores causas de baja productividad es la degradación del catalizador a especies menos activas. Por este motivo se dedican constantemente esfuerzos al diseño de ligandos capa...

  11. Degradation of polychlorinated biphenyls

    International Nuclear Information System (INIS)

    Polychlorinated biphenyls (PCB) are generally disposed of by incineration, an expensive and hazardous method. Moreover, in cases where the PCBs are a minor component of a nontoxic fluid, such as a dielectric fluid, incineration causes loss of the nontoxic fluid as well as the PCB. An alternative method for destroying PCBs is disclosed which is not only capable of detoxification of PCB-contaminated soils, sludges, and sediments, but can also remove PCBs from solution in a wide range of concentrations, permitting full recovery of the bulk of the solution free of PCBs. The process of the invention may be operated in a batch, continuous, or semicontinuous mode, and is advantageously used to detoxify organic liquids such as transformer oils. According to the invention, PCBs are chemically degraded by contact with a Lewis acid catalyst in a nonaqueous liquid medium, in the presence of a cation which combines with the chlorine on the PCB to form a solid chloride of the cation which will precipitate out from the liquid medium. Preferred Lewis acids are metal halides, particularly a combination of aluminum chloride and ferric chloride, and the preferred cation is potassium in the form of KOH. The Lewis acids may be supplied to the process by the adventitious corrosion of a vessel containing the PCB-contaminated matter. Experiments are described to illustrate the process of the invention. 3 figs

  12. Effect of highly bioaccumulated polychlorinated biphenyl congeners on estrogen and androgen receptor activity

    DEFF Research Database (Denmark)

    Bonefeld-Jørgensen, E.C.; Andersen, H. R.; Rasmussen, T.H.;

    2001-01-01

    in transiently co-transfected Chinese Hamster Ovary cells with an IC50, of 6.2 muM. In summary, this study indicate that the di-ortho, multiple-chloro substituted biphenyls, PCB # 138, PCB # 153 and PCB # 180, can compete with the binding of the natural ligand to two nuclear receptors and thus...

  13. Synthesis and C−C Coupling Reactivity of a Dinuclear Ni^I−Ni^I Complex Supported by a Terphenyl Diphosphine

    OpenAIRE

    Velian, Alexandra; Lin, Sibo; Miller, Alexander J. M.; Day, Michael W; Agapie, Theodor

    2010-01-01

    Mono- and bimetallic complexes of nickel supported by a terphenyl diphosphine have been synthesized. The reported complexes show diverse metal−arene interactions in the solid state. Reactions of an o,o′-biphenyldiyl dinickel complex with CO and dichloroalkanes lead to fluorene derivatives, indicating the formation of carbon−carbon bonds at a bimetallic moiety.

  14. Characterization of complexation reactions of mono- and bidentate-hydroxymethyl phosphine ligands with the organometallic 99mTc(I)(OH2)3(CO)3+ synthon

    International Nuclear Information System (INIS)

    The complexation reactions of the 99mTc(I)- (CO)3(OH2)3+ precursor with tris-hydroxymethylenephosphine (THP) and a diphosphine ligand analogue (HMPE) were studied at tracer levels. Results demonstrate rapid formation of 99mTc(I)(CO)3+ complexes with both THP and HMPE. In the presence of excess THP, conversion of initial complexes to stable, well-defined 99mTc species occurs indicating coordination of phosphine groups to Tc(I) at all three sites trans to the carbonyl ligands

  15. Thermal decomposition of biphenyl (1963)

    International Nuclear Information System (INIS)

    The rates of formation of the decomposition products of biphenyl; hydrogen, methane, ethane, ethylene, as well as triphenyl have been measured in the vapour and liquid phases at 460 deg. C. The study of the decomposition products of biphenyl at different temperatures between 400 and 460 deg. C has provided values of the activation energies of the reactions yielding the main products of pyrolysis in the vapour phase. Product and Activation energy: Hydrogen 73 ± 2 kCal/Mole; Benzene 76 ± 2 kCal/Mole; Meta-triphenyl 53 ± 2 kCal/Mole; Biphenyl decomposition 64 ± 2 kCal/Mole; The rate of disappearance of biphenyl is only very approximately first order. These results show the major role played at the start of the decomposition by organic impurities which are not detectable by conventional physico-chemical analysis methods and the presence of which accelerates noticeably the decomposition rate. It was possible to eliminate these impurities by zone-melting carried out until the initial gradient of the formation curves for the products became constant. The composition of the high-molecular weight products (over 250) was deduced from the mean molecular weight and the dosage of the aromatic C - H bonds by infrared spectrophotometry. As a result the existence in tars of hydrogenated tetra, penta and hexaphenyl has been demonstrated. (author)

  16. Thermal decomposition of biphenyl (1963); Decomposition thermique du biphenyle (1963)

    Energy Technology Data Exchange (ETDEWEB)

    Clerc, M. [Commissariat a l' Energie Atomique, Saclay (France). Centre d' Etudes Nucleaires

    1962-06-15

    The rates of formation of the decomposition products of biphenyl; hydrogen, methane, ethane, ethylene, as well as triphenyl have been measured in the vapour and liquid phases at 460 deg. C. The study of the decomposition products of biphenyl at different temperatures between 400 and 460 deg. C has provided values of the activation energies of the reactions yielding the main products of pyrolysis in the vapour phase. Product and Activation energy: Hydrogen 73 {+-} 2 kCal/Mole; Benzene 76 {+-} 2 kCal/Mole; Meta-triphenyl 53 {+-} 2 kCal/Mole; Biphenyl decomposition 64 {+-} 2 kCal/Mole; The rate of disappearance of biphenyl is only very approximately first order. These results show the major role played at the start of the decomposition by organic impurities which are not detectable by conventional physico-chemical analysis methods and the presence of which accelerates noticeably the decomposition rate. It was possible to eliminate these impurities by zone-melting carried out until the initial gradient of the formation curves for the products became constant. The composition of the high-molecular weight products (over 250) was deduced from the mean molecular weight and the dosage of the aromatic C - H bonds by infrared spectrophotometry. As a result the existence in tars of hydrogenated tetra, penta and hexaphenyl has been demonstrated. (author) [French] Les vitesses de formation des produits de decomposition du biphenyle: hydrogene, methane, ethane, ethylene, ainsi que des triphenyles, ont ete mesurees en phase vapeur et en phase liquide a 460 deg. C. L'etude des produits de decomposition du biphenyle a differentes temperatures comprises entre 400 et 460 deg. C, a fourni les valeurs des energies d'activation des reactions conduisant aux principaux produits de la pyrolyse en phase vapeur. Produit et Energie d'activation: Hydrogene 73 {+-} 2 kcal/Mole; Benzene 76 {+-} 2 kcal/Mole; Metatriphenyle, 53 {+-} 2 kcal/Mole; Decomposition du biphenyle 64 {+-} 2

  17. Construction of a Bioluminescent Reporter Strain To Detect Polychlorinated Biphenyls

    OpenAIRE

    Layton, A C; Muccini, M.; Ghosh, M. M.; Sayler, G. S.

    1998-01-01

    A bioluminescent reporter strain, Ralstonia eutropha ENV307(pUTK60), was constructed for the detection of polychlorinated biphenyls by inserting the biphenyl promoter upstream of the bioluminescence genes. In the presence of a nonionic surfactant, which enhances the solubility of chlorinated biphenyls, bioluminescence was induced three- to fourfold over background by biphenyl, monochlorinated biphenyls, and Aroclor 1242. The minimum detection limits for these compounds ranged from 0.15 mg/lit...

  18. Hydrothermal Synthesis and Crystal Structure of a Manganese(Ⅱ) Coordination Polymer with 1,1'-Biphenyl-2,2',6,6'-tetracarboxyl Acid and 2,2':6,2'-Terpyridine Ligands%Hydrothermal Synthesis and Crystal Structure of a Manganese(Ⅱ) Coordination Polymer with 1,1'-Biphenyl-2,2',6,6'-tetracarboxyl Acid and 2,2':6,2'-Terpyridine Ligands

    Institute of Scientific and Technical Information of China (English)

    MEI Chong-Zhen; SHAN Wen-Wen; LIU Bing-Tao

    2011-01-01

    The title compound {[Mn(H2BPTC)(tpy)(H2O)]·(H2O)3}, (1, H4BPTC = 1,1'- biphenyl-2,2',6,6'-tetracarboxylic acid, tby = 2,2':6,2'-terpyridine) has been synthesized by the hydrothermal reaction, and its structure was determined by X-ray diffraction and characterized by elemental analysis, IR spectrum and thermogravimetric analysis. The crystal is of monoclinic, space group P21/c with a = 10.971(2), b = 20.776(4), c = 14.332(3) A, β = 109.25(3)°, MnC31H27N3O12, Mr = 688.50, V= 3084.1(10) A^3, Dc = 1.483 g/cm^3, F(000) = 1420, p = 0.498 mm^-1, S = 1.066 and Z = 4. The final refinement gave R = 0.0447 and wR = 0.1103 for 5107 observed reflections with I 〉 2σ(I). The title complex has a {[Mn(H2BPTC)(tpy)(H2O)]}, chain structure, and the hydrogen bonding interactions make it more stable. Each chain is further connected to the adjacent ones through π…π, C-H…π and rich hydrogen bonds to form a metal-organic coordination polymer.

  19. Bioelectrochemical Immunoassay of Polychlorinated Biphenyl

    International Nuclear Information System (INIS)

    A simple, rapid, and highly sensitive bioelectrochemical immunoassay method based on magnetic beads (MBs) and disposable screen-printed electrodes (SPE) has been developed to detect polychlorinated biphenyls (PCBs). The principle of this bioassay is based on a direct competitive enzyme-linked immunosorbent assay using PCB-antibody-coated MBs and horseradish peroxidase (HRP)-labeled PCB (HRP-PCB). A magnetic process platform was used to mix and shake the samples during the immunoreactions and to separate free and unbound reagents after the liquid-phase competitive immunoreactions among PCB-antibody-coated MBs, PCB analyte, and HRP-PCB. After a complete immunoassay, the HRP tracers attached to MBs were transferred to a substrate solution containing o-aminophenol and hydrogen peroxide for electrochemical detection. The different parameters, including the amount of HRP-PCB conjugates, immunoreaction time, and the concentration of substrate that governs the analytical performance of the immunoassay have been studied in detail and optimized. The detection limit of 5 pg mL-1 was obtained under optimum experimental conditions. The performance of this bioelectrochemical immunoassay was successfully evaluated with untreated river water spiked with PCBs, and the results were validated by commercial PCB enzyme-linked immunosorbent assay kit, indicating that this convenient and sensitive technique offers great promise for decentralized environmental application and trace PCBs monitoring

  20. Microbial transformation and degradation of polychlorinated biphenyls

    International Nuclear Information System (INIS)

    This paper reviews the potential of microorganisms to transform polychlorinated biphenyls (PCBs). In anaerobic environments, higher chlorinated biphenyls can undergo reductive dehalogenation. Meta- and para-chlorines in PCB congeners are more susceptible to dechlorination than ortho-chlorines. Anaerobes catalyzing PCB dechlorination have not been isolated in pure culture but there is strong evidence from enrichment cultures that some Dehalococcoides spp. and other microorganisms within the Chloroflexi phylum can grow by linking the oxidation of H2 to the reductive dechlorination of PCBs. Lower chlorinated biphenyls can be co-metabolized aerobically. Some aerobes can also grow by utilizing PCB congeners containing only one or two chlorines as sole carbon/energy source. An example is the growth of Burkholderia cepacia by transformation of 4-chlorobiphenyl to chlorobenzoates. The latter compounds are susceptible to aerobic mineralization. Higher chlorinated biphenyls therefore are potentially fully biodegradable in a sequence of reductive dechlorination followed by aerobic mineralization of the lower chlorinated products. - Higher chlorinated biphenyls are potentially fully biodegradable in a sequence of anaerobic reductive dechlorination followed by aerobic mineralization of the lower chlorinated products

  1. 40 CFR 129.105 - Polychlorinated biphenyls (PCBs).

    Science.gov (United States)

    2010-07-01

    ... 40 Protection of Environment 21 2010-07-01 2010-07-01 false Polychlorinated biphenyls (PCBs). 129... Polychlorinated biphenyls (PCBs). (a) Specialized definitions. (1) PCB Manufacturer means a manufacturer who produces polychlorinated biphenyls. (2) Electrical capacitor manufacturer means a manufacturer who...

  2. Ylide Ligands

    OpenAIRE

    Esteban P. Urriolabeitia

    2010-01-01

    The use of ylides of P, N, As, or S as ligands toward transition metals is still a very active research area in organometallic chemistry. This fact is mainly due to the nucleophilic character of the ylides and to their particular bonding properties and coordination modes. They can behave as monodentate or bidentate chelate or bridging species, they can be used as chiral auxiliary reagents, and they are interesting reaction intermediates or useful starting materials in a wide ...

  3. Construction of a bioluminescent reporter strain to detect polychlorinated biphenyls

    Energy Technology Data Exchange (ETDEWEB)

    Layton, A.C.; Muccini, M.; Ghosh, M.M.; Sayler, G.S. [Univ. of Tennessee, Knoxville, TN (United States)

    1998-12-01

    A bioluminescent reporter strain, Ralstonia eutropha ENV307 (pUTK60), was constructed for the detection of polychlorinated biphenyls by inserting the biphenyl promoter upstream of the bioluminescence genes. In the presence of a nonionic surfactant, which enhances the solubility of chlorinated biphenyls, bioluminescence was induced three- to fourfold over background by biphenyl, monochlorinated biphenyls, and Aroclor 1242. The minimum detection limits for these compounds ranged from 0.15 mg/liter for 4-chlorobiphenyl to 1.5 mg/liter for Aroclor 1242.

  4. Plant enzymes in metabolism of polychlorinated biphenyls

    Czech Academy of Sciences Publication Activity Database

    Chromá, L.; Moeder, M.; Kučerová, P.; Macek, Tomáš; Macková, M.

    2003-01-01

    Roč. 12, č. 3 (2003), s. 291-295. ISSN 1018-4619 R&D Projects: GA MŠk ME 498 Institutional research plan: CEZ:AV0Z4055905 Keywords : polychlorinated biphenyls * plants * peroxidases Subject RIV: CE - Biochemistry Impact factor: 0.325, year: 2003

  5. Occupational exposure to polychlorinated biphenyls (PCBs).

    OpenAIRE

    Wolff, M S

    1985-01-01

    Human occupational exposure to polychlorinated biphenyls (PCBs) with varying chlorine content has been reported by several investigators, using analyses of blood or adipose samples or skin wipes to evaluate levels in the body. The intensity of occupational exposure is related to both duration and intensity of exposure. The qualitative nature of occupational exposure, as well as casual environmental exposure, has been shown to consist of less readily metabolized PCB congeners. The pattern of P...

  6. ADSORPTION OF POLYCHLORINATED BIPHENYLS BY SOILS

    OpenAIRE

    Mihaela Preda; Radu Lăcătuşu; Dumitru Marian Motelică; Nicoleta Vrînceanu; Veronica Tănase

    2010-01-01

    The behavior of polychlorinated biphenyls (PCBs) in soil is determined by several factors including adsorption, mobility and degradation. Adsorption, directly or indirectly, influences the other factors. Adsorption process is generally evaluated by using adsorption isotherms representing the relationship between the quantity of substance adsorbed per unit weight and concentration of the substance in solution at equilibrium. They allow determination of the adsorption constant, which is directl...

  7. Metabolism and metabolites of polychlorinated biphenyls (PCBs)

    OpenAIRE

    Grimm, FA; Hu, D.; Kania-Korwel, I.; Lehmler, HJ; Ludewig, G; Hornbuckle, KC; Duffel, MW; Bergman, A; Robertson, LW

    2015-01-01

    The metabolism of polychlorinated biphenyls (PCBs) is complex and has an impact on toxicity and thereby assessment of PCB risks. A large number of reactive and stable metabolites are formed in the processes of biotransformation in biota in general and in humans in particular. The aim of this document is to provide an overview of PCB metabolism and to identify metabolites of concern and their occurrence. Emphasis is given to mammalian metabolism of PCBs and their hydroxyl, methylsulfonyl, and ...

  8. Metabolic and health consequences of occupational exposure to polychlorinated biphenyls.

    OpenAIRE

    Smith, A B; Schloemer, J; Lowry, L K; Smallwood, A W; Ligo, R N; Tanaka, S.; Stringer, W; Jones, M; Hervin, R; Glueck, C J

    1982-01-01

    In surveys of three groups of workers occupationally exposed to polychlorinated biphenyls (PCBs) serum PCB concentrations were quantitated as lower chlorinated biphenyls (L-PCBs) and higher chlorinated biphenyls (H-PCBs). Serum L-PCB and H-PCB concentrations were many times greater among workers employed in power capacitor manufacturing than exposed areas. Statistically significant positive correlations of symptoms suggestive of mucous membrane and skin irritation, of systemic malaise, and al...

  9. 77 FR 42181 - Polychlorinated Biphenyls (PCBs); Disposition of Request Submitted Under TSCA Section 21

    Science.gov (United States)

    2012-07-18

    ... AGENCY 40 CFR Chapter I Polychlorinated Biphenyls (PCBs); Disposition of Request Submitted Under TSCA... certain actions to protect human health and the marine environment from polychlorinated biphenyls (PCBs... Sinking Exercise). List of Subjects Environmental protection, Polychlorinated biphenyls, SINKEX....

  10. Synthesis and luminescent properties of novel Cu (II), Zn (II) polymeric complexes based on 1,10-phenanthroline and biphenyl groups

    Indian Academy of Sciences (India)

    Yan He; Chaofan Zhong; Yu Zhou; Hailiang Zhang

    2009-07-01

    A fully conjugated ligand 4,4'-bis(1,10-phenanthroline-[5,6-d]imidazole-2-yl)-biphenyl (BPIBP) based on 1,10-phenanthroline and biphenyl groups was firstly synthesized. The corresponding polymeric complexes, BPIBP (1) with Cu(II) (2) and Zn(II) (3), were synthesized and characterized by FT-IR, elemental Analysis, conductivity measurement. UV-Vis and fluorescence spectra at room temperature revealed that both the polymeric complexes 2 and 3 emit blue luminescence at 453 and 452 nm (em, max) in DMSO solution and blue/green luminescence at 527 and 536 nm (em, max) in solid state respectively, and the maximum wavelengths of the polymeric complexes 2 and 3 are red shifted, compared with the ligand 1. Thermal property measurements show that they have good thermal stability.

  11. Radiochemical decomposition of polychlorinated biphenyls in hexane

    International Nuclear Information System (INIS)

    Products of polychlorinated biphenyls (PCB) decomposition are analyzed with the aim of determining whether polychlorinated dibenzodioxins (PCDD) or dibenzafurans (PCDF) are formed during radition-chemical decomposition. It is shown that under irradiation of PCB Arochlor 1260 mixture with 10-2 mass % concentration decomposition degree equals 90.4 % at radiaion dose more than 6 Mrad. As the result of irradiation the content of relatively light PCB in the mixture increases and the content of irradiated mixture becomes close to the content of Arochlor 1242 mixture. Neitgher PCDD nor PCDE is detected on the products of PCB decomposition

  12. ADSORPTION OF POLYCHLORINATED BIPHENYLS BY SOILS

    Directory of Open Access Journals (Sweden)

    Mihaela Preda

    2010-01-01

    Full Text Available The behavior of polychlorinated biphenyls (PCBs in soil is determined by several factors including adsorption, mobility and degradation. Adsorption, directly or indirectly, influences the other factors. Adsorption process is generally evaluated by using adsorption isotherms representing the relationship between the quantity of substance adsorbed per unit weight and concentration of the substance in solution at equilibrium. They allow determination of the adsorption constant, which is directly proportional to the adsorption of PCBs in soil. PCBs are very insoluble in water, so they tend to accumulate in the lipids. This is the reason why polychlorinated biphenyls are more strongly adsorbed in soils with higher organic matter content. To obtain the adsorption isotherm were used standard solutions of PCB 101with initial concentrations: 0.05, 0.1, 0.5, 1 and 2 g/ml. The adsorption constants were in order: 3072 ml/g for chernozem, 2943 mg/l for chromic luvisol, 998 mg/l for aluviosol and 1443 mg/l for anthrosol. The values of adsorption constants depend on the organic matter and clay content.

  13. Human receptor activation by aroclor 1260, a polychlorinated biphenyl mixture.

    Science.gov (United States)

    Wahlang, Banrida; Falkner, K Cameron; Clair, Heather B; Al-Eryani, Laila; Prough, Russell A; States, J Christopher; Coslo, Denise M; Omiecinski, Curtis J; Cave, Matthew C

    2014-08-01

    Polychlorinated biphenyls (PCBs) are persistent environmental toxicants, present in 100% of U.S. adults and dose-dependently associated with obesity and non-alcoholic fatty liver disease (NAFLD). PCBs are predicted to interact with receptors previously implicated in xenobiotic/energy metabolism and NAFLD. These receptors include the aryl hydrocarbon receptor (AhR), pregnane xenobiotic receptor (PXR), constitutive androstane receptor (CAR), peroxisome proliferator-activated receptors (PPARs), liver-X-receptor (LXRα), and farnesoid-X-receptor (FXR). This study evaluates Aroclor 1260, a PCB mixture with congener composition mimicking that of human adipose tissue, and selected congeners, as potential ligands for these receptors utilizing human hepatoma-derived (HepG2) and primate-derived (COS-1) cell lines, and primary human hepatocytes. Aroclor 1260 (20 μg/ml) activated AhR, and PCB 126, a minor component, was a potent inducer. Aroclor 1260 activated PXR in a simple concentration-dependent manner at concentrations ≥10 μg/ml. Among the congeners tested, PCBs 138, 149, 151, 174, 183, 187, and 196 activated PXR. Aroclor 1260 activated CAR2 and CAR3 variants at lower concentrations and antagonize CAR2 activation by the CAR agonist, CITCO, at higher concentrations (≥20 μg/ml). Additionally, Aroclor 1260 induced CYP2B6 in primary hepatocytes. At subtoxic doses, Aroclor 1260 did not activate LXR or FXR and had no effect on LXR- or FXR-dependent induction by the agonists T0901317 or GW4064, respectively. Aroclor 1260 (20 μg/ml) suppressed PPARα activation by the agonist nafenopin, although none of the congeners tested demonstrated significant inhibition. The results suggest that Aroclor 1260 is a human AhR, PXR and CAR3 agonist, a mixed agonist/antagonist for CAR2, and an antagonist for human PPARα. PMID:24812009

  14. Oxidation of polychlorinated biphenyls by Pseudomonas sp. strain LB400 and Pseudomonas pseudoalcaligenes KF707.

    OpenAIRE

    Gibson, D T; Cruden, D. L.; Haddock, J D; Zylstra, G J; Brand, J M

    1993-01-01

    Biphenyl-grown cells and cell extracts prepared from biphenyl-grown cells of Pseudomonas sp. strain LB400 oxidize a much wider range of chlorinated biphenyls than do analogous preparations from Pseudomonas pseudoalcaligenes KF707. These results are attributed to differences in the substrate specificity of the biphenyl 2,3-dioxygenases from both organisms.

  15. Sphingobium fuliginis HC3: a novel and robust isolated biphenyl- and polychlorinated biphenyls-degrading bacterium without dead-end intermediates accumulation.

    Directory of Open Access Journals (Sweden)

    Jinxing Hu

    Full Text Available Biphenyl and polychlorinated biphenyls (PCBs are typical environmental pollutants. However, these pollutants are hard to be totally mineralized by environmental microorganisms. One reason for this is the accumulation of dead-end intermediates during biphenyl and PCBs biodegradation, especially benzoate and chlorobenzoates (CBAs. Until now, only a few microorganisms have been reported to have the ability to completely mineralize biphenyl and PCBs. In this research, a novel bacterium HC3, which could degrade biphenyl and PCBs without dead-end intermediates accumulation, was isolated from PCBs-contaminated soil and identified as Sphingobium fuliginis. Benzoate and 3-chlorobenzoate (3-CBA transformed from biphenyl and 3-chlorobiphenyl (3-CB could be rapidly degraded by HC3. This strain has strong degradation ability of biphenyl, lower chlorinated (mono-, di- and tri- PCBs as well as mono-CBAs, and the biphenyl/PCBs catabolic genes of HC3 are cloned on its plasmid. It could degrade 80.7% of 100 mg L -1 biphenyl within 24 h and its biphenyl degradation ability could be enhanced by adding readily available carbon sources such as tryptone and yeast extract. As far as we know, HC3 is the first reported that can degrade biphenyl and 3-CB without accumulation of benzoate and 3-CBA in the genus Sphingobium, which indicates the bacterium has the potential to totally mineralize biphenyl/PCBs and might be a good candidate for restoring biphenyl/PCBs-polluted environments.

  16. Occupational exposure to polychlorinated biphenyls in electrical workers. I. Environmental and blood polychlorinated biphenyls concentrations.

    OpenAIRE

    Maroni, M; Colombi, A.; Cantoni, S; Ferioli, E; Foa, V

    1981-01-01

    Industrial exposure to polychlorinated biphenyls (PCBs) and internal dose were investigated in 80 worker exposed for many years to PCB mixtures with a 42% chlorine content (Pyralene 3010 and Apirolio). PCBs were determined by liquid gas chromatography on samples taken from workroom air, workroom surfaces and tools, the palms of the hand, and the blood of the workers. In the workroom air samples, PCB concentrations ranged from 48 to 275 micrograms/m3. All tested surfaces and tools were heavily...

  17. Synthesis, characterization and extraction studies of N,N"-bis[1-biphenyl-2-hydroxyimino-2-(4-acetylanilino)-1-ethylidene]-diamines and their homo-and heteronuclear copper(II) complexes

    Indian Academy of Sciences (India)

    Bülent Dede; Fatma Kari̇pci̇n; Mustafa Cengi̇z

    2009-03-01

    A new series of homo- and heteropolynuclear copper(II) complexes of N,N"-bis[1-biphenyl-2-hydroxyimino-2-(4-acetylanilino)-1-ethylidene]-diamines have been prepared and characterized by different physical techniques. The starting point of the research was the reaction of chloroacetyl chloride with biphenyl in the presence of aluminum chloride. 4-Biphenylhydroximoyl chloride was obtained by reacting synthesized 4-(chloroacetyl)biphenyl with alkyl nitrite. Substituted 4-(alkylaminoisonitrosoacetyl) biphenyl (ketooxime) was prepared by reacting 4-biphenylhydroximoyl chloride with 4-aminoacetophenone in EtOH. Homodi-, homotrinuclear and heterodinuclear copper(II) perchlorate complexes of tetradentate Schiff bases which possess N4 donor sets derived from the condensation of 4-(arylaminoisonitrosoacetyl)biphenyl and diamine derivatives were synthesized and characterized. Elemental analysis, FT-IR, ESR, molar conductivity, magnetic moment measurements and thermal analyses studies were utilized for the investigation of the complexes. The free ligands were also characterized by 1H- and 13C-NMR spectra. Elemental analyses, stoichiometric and spectroscopic data of the metal complexes indicated that the metal:ligand ratio of dinuclear copper(II) complexes were found to be 2 : 1 while this ratio was 3 : 2 in trinuclear copper(II) complexes and the metal complexes indicated that the metal ions are coordinated to the oxime and imine nitrogen atoms. The extraction abilities of the novel ligands were also evaluated in chloroform by using several transition metal picrates such as Mn2+, Co2+, Ni2+, Cu2+, Zn2+, Pb2+, Cd2+, Hg2+. It has been observed that both ligands show a high affinity to Cu2+ ions.

  18. Handling ligands with Coot

    OpenAIRE

    Debreczeni, Judit É.; Emsley, Paul

    2012-01-01

    Coot is a molecular-graphics application primarily aimed to assist in model building and validation of biological macromolecules. Recently, tools have been added to work with small molecules. The newly incorporated tools for the manipulation and validation of ligands include interaction with PRODRG, subgraph isomorphism-based tools, representation of ligand chemistry, ligand fitting and analysis, and are described here.

  19. Sphingobium fuliginis HC3: A Novel and Robust Isolated Biphenyl- and Polychlorinated Biphenyls-Degrading Bacterium without Dead-End Intermediates Accumulation

    OpenAIRE

    Hu, Jinxing; Qian, Mingrong; Zhang, Qian; Cui, Jinglan; Yu, Chunna; Su, Xiaomei; Shen, Chaofeng; Hashmi, Muhammad Z.; Shi, Jiyan

    2015-01-01

    Biphenyl and polychlorinated biphenyls (PCBs) are typical environmental pollutants. However, these pollutants are hard to be totally mineralized by environmental microorganisms. One reason for this is the accumulation of dead-end intermediates during biphenyl and PCBs biodegradation, especially benzoate and chlorobenzoates (CBAs). Until now, only a few microorganisms have been reported to have the ability to completely mineralize biphenyl and PCBs. In this research, a novel bacterium HC3, whi...

  20. Spatial gradients of polychlorinated biphenyls (PCBs) and organochlorine pesticides

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Spatial gradients of polychlorinated biphenyls (PCBs) and organochlorine pesticides were examined in the young-of-the-year (YOY) blue多sh collected in the vicinity...

  1. Bioaccumulation dynamics of polychlorinated biphenyls (PCBs) and organochlorine pesticides

    Data.gov (United States)

    National Oceanic and Atmospheric Administration, Department of Commerce — Bioaccumulation dynamics of polychlorinated biphenyls (PCBs) and organochlorine pesticides was examined in young-of-the-year bluefish from seven sub-estuaries of...

  2. Effective inhibition of hydroxyl radicals by hydroxylated biphenyl compounds.

    Science.gov (United States)

    Taira, J; Ikemoto, T; Mimura, K; Hagi, A; Murakami, A; Makino, K

    1993-01-01

    In aqueous media, approximate rate constants for the reactions between hydroxyl radicals (.OH) and biphenyl compounds such as dehydrodieugenol, magnolol, honokiol, dehydrodidihydroeugenol, dehydrodivanillyl alcohol, and dehydrodicreosol were estimated by competition reactions for .OH between these biphenyls and 5,5-dimethyl-1-pyrroline-N-oxide (DMPO). By measuring the decrease in the height of the EPR signals of the .OH spin adduct, rate constants in the order of 10(9) to 10(10) M were measured. PMID:8282234

  3. NUCLEOTIDE SEQUENCING AND TRANSCRIPTIONAL MAPPING OF THE GENES ENCODING BIPHENYL DIOXYGENASE, A MULTICOM- PONENT POLYCHLORINATED-BIPHENYL-DEGRADING ENZYME IN PSEUDOMONAS STRAIN LB400

    Science.gov (United States)

    The DNA region encoding biphenyl dioxygenase, the first enzyme in the biphenyl-polychlorinated biphenyl degradation pathway of Pseudomonas species strain LB400, was sequenced. Six open reading frames were identified, four of which are homologous to the components of toluene dioxy...

  4. ENANTIOMER SEPARATION OF POLYCHLORINATED BIPHENYL ATROPISOMERS AND POLYCHLORINATED BIPHENYL RETENTION BEHAVIOR ON MODIFIED CYCLODEXTRIN CAPILLARY GAS CHROMATOGRAPHY COLUMNS

    Science.gov (United States)

    Seven commercially-available chiral capillary gas chromatography columns containing modified cyclodextrins were evaluated for their ability to separate enantiomers of the 19 stable chiral polychlorinated biphenyl (PCB) atropisomers, and for their ability to separate these enantio...

  5. New technologies for PCB [polychlorinated biphenyl] decontamination

    International Nuclear Information System (INIS)

    Polychlorinated biphenyls (PCB) were mixed with chlorobenzenes to reduce viscosity and provide for both electrical insulation and convective heat transfers. These mixtures were known as askarels, and ca 99.8% of PCBs used in electrical applications are contained in askarel-filled transformers and capacitors. It is estimated that there are ca 180 million gal of PCB-contaminated oil distributed through over 3 million transformers in the USA. Technology used for decontaminating these transformers depends on the concentration of the PCB contamination. At low PCB concentrations of up to ca 2,000 ppM, chemical methods can be used; at higher concentrations, alternative disposal options become more attractive. For chemical treatment, a small mobile unit using quick-reacting reagents has been developed for on-site decontamination. For highly contaminated transformers, retrofilling is very attractive since the owner's liability is minimized at minimum cost. Conventional flush/drain procedures have such drawbacks as the inability to remove oil trapped in windings and the leaching of trapped PCBs back into the uncontaminated retrofill oil over time. A new process has been developed to solve the leaching problem and to decontaminate the drained askarel at room temperature using a catalyst. An alternative disposal strategy involves dismantling the transformer carcass, incinerating non-recyclable materials, and cleaning the metals and wire with solvent. 8 figs

  6. Consolidated PCBs [polychlorinated biphenyls] improves waste control

    International Nuclear Information System (INIS)

    Consolidation of polychlorinated biphenyl (PCB) wastes is recommended for improving ownership control of wastes, eliminating PCB storage sites, and increasing cost-effectiveness of waste management. In Ontario, sites receiving the waste must be owned by the waste generator and registered as a PCB site. All PCBs must be removed from a site with no contaminated materials or wastes left behind, which requires a thorough site assessment to identify wastes prior to removal, a sampling and analytical scheme if necessary, and an approved plan for site cleanup. If large volumes of PCB-contaminated oil are involved, it may be cost-effective to put oil from several sites into bulk tanks and thus avoid the need to handle and decontaminate a large number of drums. With low volumes of oil, it may be possible to move the waste to another site where mobile PCB destruction is taking place. It also may be possible to get approval to blend high-level PCB liquids with mineral oil to reduce the PCB concentration to a level where chemical decontamination is allowed. For large volumes of high-level PCB wastes, consolidation will be necessary simply because of the high costs of mobilizing an incinerator and the requirement for public hearings for each incineration project. To make such a project cost-effective, PCB wastes will have to be concentrated from a large geographic area. 1 fig

  7. Options for PCB (polychlorinated biphenyls) analysis reviewed

    Energy Technology Data Exchange (ETDEWEB)

    Finch, S

    1990-04-01

    Types of polychlorinated biphenyl (PCB) analysis can be divided into two categories: specific and non-specific methods. Specific methods include gas chromatogrphy and mass spectrometry, which test for PCB molecules in particular. Non-specific methods identify classes of compounds, such as chlorinated hydrocarbons, to which PCBs belong. These non-specific methods include Chlor-N-Oil PCB screening kits, x-ray fluorescence spectroscopy, and microcoulemetric titration. In general, PCB-specific methods are more accurate than non-specific methods, but are also more expensive, more lengthy to run, and less portable. Non-specific methods test for the presence of chlorine in the sample, and as a result other chlorinated componds will cause false positive results, however false negative results should not occur. Although false positive results can cause unnecessary secondary testing, they can be very economical when used on samples such as transformer oil, which contains few sources of chlorine other than PCB. Used crank case and cutting oils almost always give false positive results with non-specific tests. Details are presented of a new non-specific test, the L2000 PCB Analyzer, which can be used on transformer oil, soil samples, and for testing of total organic chlorine levels in waste oils. 1 fig.

  8. Metal-ligand cooperation.

    Science.gov (United States)

    Khusnutdinova, Julia R; Milstein, David

    2015-10-12

    Metal-ligand cooperation (MLC) has become an important concept in catalysis by transition metal complexes both in synthetic and biological systems. MLC implies that both the metal and the ligand are directly involved in bond activation processes, by contrast to "classical" transition metal catalysis where the ligand (e.g. phosphine) acts as a spectator, while all key transformations occur at the metal center. In this Review, we will discuss examples of MLC in which 1) both the metal and the ligand are chemically modified during bond activation and 2) bond activation results in immediate changes in the 1st coordination sphere involving the cooperating ligand, even if the reactive center at the ligand is not directly bound to the metal (e.g. via tautomerization). The role of MLC in enabling effective catalysis as well as in catalyst deactivation reactions will be discussed. PMID:26436516

  9. Molecular docking and 3D-QSAR studies on the glucocorticoid receptor antagonistic activity of hydroxylated polychlorinated biphenyls.

    Science.gov (United States)

    Liu, S; Luo, Y; Fu, J; Zhou, J; Kyzas, G Z

    2016-02-01

    The glucocorticoid receptor (GR) antagonistic activities of hydroxylated polychlorinated biphenyls (HO-PCBs) were recently characterised. To further explore the interactions between HO-PCBs and the GR, and to elucidate structural characteristics that influence the GR antagonistic activity of HO-PCBs, molecular docking and three-dimensional quantitative structure-activity relationship (3D-QSAR) studies were performed. Comparative molecular similarity indices analysis (CoMSIA) was performed using both ligand- and receptor-based alignment schemes. Results generated from the receptor-based model were found to be more satisfactory, with q(2) of 0.632 and r(2) of 0.931 compared with those from the ligand-based model. Some internal validation strategies (e.g. cross-validation analysis, bootstrapping analysis and Y-randomisation) and an external validation method were used respectively to further assess the stability and predictive ability of the derived model. Graphical interpretation of the model provided some insights into the structural features that affected the GR antagonistic activity of HO-PCBs. Molecular docking studies revealed that some key residues were critical for ligand-receptor interactions by forming hydrogen bonds (Glu540) and hydrophobic interactions with ligands (Ile539, Val543 and Trp577). Although CoMSIA sometimes depends on the alignment of the molecules, the information provided is beneficial for predicting the GR antagonistic activities of HO-PCB homologues and is helpful for understanding the binding mechanisms of HO-PCBs to GR. PMID:26848875

  10. 75 FR 34076 - Polychlorinated Biphenyls (PCBs); Reassessment of Use Authorizations; Extension of Comment Period...

    Science.gov (United States)

    2010-06-16

    ... AGENCY 40 CFR Part 761 RIN 2070-AJ38 Polychlorinated Biphenyls (PCBs); Reassessment of Use Authorizations..., Hazardous substances, Labeling, Polychlorinated biphenyls (PCBs), Reporting and recordkeeping requirements..., 2010, concerning the reassessment of the use authorizations for PCBs. This document extends the...

  11. Complete Reductive Dehalogenation of Brominated Biphenyls by Anaerobic Microorganisms in Sediment

    OpenAIRE

    Bedard, Donna L.; Van Dort, Heidi M.

    1998-01-01

    We sought to determine whether microorganisms from the polychlorinated biphenyl (PCB)-contaminated sediment in Woods Pond (Lenox, Mass.) could dehalogenate brominated biphenyls. The PCB dechlorination specificities for the microorganisms in this sediment have been well characterized. This allowed us to compare the dehalogenation specificities for brominated biphenyls and chlorinated biphenyls within a single sediment. Anaerobic sediment microcosms were incubated separately at 25°C with 16 dif...

  12. 75 FR 4759 - Polychlorinated Biphenyls: Manufacturing (Import) Exemption for Veolia ES Technical Solutions, LLC

    Science.gov (United States)

    2010-01-29

    ... commerce of polychlorinated biphenyls (PCBs). Under TSCA section 3(7), ``manufacture'' is defined to... AGENCY 40 CFR Part 761 RIN 2050-AG42 Polychlorinated Biphenyls: Manufacturing (Import) Exemption for...'s request in the proposed rule, Polychlorinated Biphenyls: Manufacturing (Import) Exemption...

  13. OXIDATION OF POLYCHLORINATED BIPHENYLS BY PSEUDOMONAS SP. STRAIN LB400 AND PSEUDOMONAS PSEUDOALCALIGENES KF707

    Science.gov (United States)

    Biphenyl-grown cells and cell extracts prepared from biphenyl-grown cells of Pseudomonas sp. strain LB400 oxidize a much wider range of chlorinated biphenyls than do analogous preparations from Pseudomonas pseudoalcaligenes KF707. These results are attributed to differences in th...

  14. OXIDATION OF BIPHENYL BY A MULTICOMPONENT ENZYME SYSTEM FROM PSEUDOMONAS SP. STRAIN LB400

    Science.gov (United States)

    Pseudomonas sp. strain LB400 grows on biphenyl as the sole carbon and energy source. This organism also cooxidizes several chlorinated biphenyl congeners. Biphenyl dioxygenase activity in cell extract required addition of NAD(P)H as an electron donor for the conversion of bipheny...

  15. Exposure Monitoring and Risk Assessment of Biphenyl in the Workplace

    Directory of Open Access Journals (Sweden)

    Hyeon-Yeong Kim

    2015-05-01

    Full Text Available This study was performed to assess exposure to and the risk caused by biphenyl in the workplace. Biphenyl is widely used as a heat transfer medium and as an emulsifier and polish in industry. Vapor or high levels of dust inhalation and dermal exposure to biphenyl can cause eye inflammation, irritation of respiratory organs, and permanent lesions in the liver and nervous system. In this study, the workplace environment concentrations were assessed as central tendency exposure and reasonable maximum exposure and were shown to be 0.03 and 0.12 mg/m3, respectively. In addition, the carcinogenic risk of biphenyl as determined by risk assessment was 0.14 × 10−4 (central tendency exposure and 0.56 × 10−4 (reasonable maximum exposure, which is below the acceptable risk value of 1.0 × 10−4. Furthermore, the central tendency exposure and reasonable maximum exposure hazard quotients were 0.01 and 0.06 for oral toxicity, 0.05 and 0.23 for inhalation toxicity, and 0.08 and 0.39 for reproduction toxicity, respectively, which are all lower than the acceptable hazard quotient of 1.0. Therefore, exposure to biphenyl was found to be safe in current workplace environments. Because occupational exposure limits are based on socioeconomic assessment, they are generally higher than true values seen in toxicity experiments. Based on the results of exposure monitoring of biphenyl, the current occupational exposure limits in Korea could be reviewed.

  16. Incidence of thyroid disease following exposure to polybrominated biphenyls and polychlorinated biphenyls, Michigan, 1974-2006.

    Science.gov (United States)

    Yard, Ellen E; Terrell, Metrecia L; Hunt, Danielle Rentz; Cameron, Lorraine L; Small, Chanley M; McGeehin, Michael A; Marcus, Michele

    2011-08-01

    Thyroid hormones, which influence body metabolism and development, could be affected by persistent organic pollutants. We sought to examine the relationship between polybrominated biphenyls (PBBs) and polychlorinated biphenyls (PCBs) and thyroid disease. We employed incidence density sampling to perform a nested case control analysis of the Michigan Long-Term PBB Cohort. Cohort members (n=3333) were exposed to PBBs through contaminated cattle feed in 1973-1974 and to PCBs through daily life. Those with detectable serum PBB and PCB concentrations at enrollment were categorized into tertiles of PBB and PCB exposure. Case-patients were cohort members answering "Yes" to "Has a healthcare provider ever told you that you had a thyroid problem?" during follow-up interviews; control-patients were cohort members answering "No". We used odds ratios (OR) with 95% confidence intervals (CI) to compare odds of thyroid disease by PBB and PCB exposure and by various risk factors. Total cumulative thyroid disease incidence after 33 years was 13.9% among women and 2.6% among men. After adjusting for body mass index, we found no statistically significant differences in odds of any type of thyroid disease among women or men with elevated PBB or PCB exposure. Compared to control-patients, women with thyroid disease had increased odds of being overweight/obese (OR=2.82, 95% CI: 1.94-4.11) and developing infertility (OR=1.71, 95% CI: 1.08-2.69), diabetes (OR=1.61, 95% CI: 1.04-2.51), or arthritis (OR=1.71, 95% CI: 1.18-2.50) during follow-up. Additional research should explore potential associations between PBBs/PCBs and thyroid disease among children exposed in utero. PMID:21737118

  17. 4-[(4′-Chloromethyl-[1,1′-biphenyl]-4-ylmethyl]bis(dimethylglyoximato-κ2N,N′(pyridine-κNcobalt(IIIThis article is dedicated to late Professor B. D. Gupta.

    Directory of Open Access Journals (Sweden)

    Sarvendra Kumar

    2012-02-01

    Full Text Available The title compound, [Co(C14H14Cl(C4H6N2O22(C5H5N], is a model compound for the more complex cobalamines like vitamins B12. The CoIII atom is coordinated by a (4′-chloromethyl-[1,1′-biphenyl]-4-ylmethyl group, an N-bonded pyridine and two N,N′-bidentate dimethylglyoximate ligands in a distorted octahedral geometry. The glyoximate ligands exhibit intramolecular O—H...O hydrogen bonds, which is very common in cobaloxime derivatives.

  18. 4-[(4′-Chloromethyl-[1,1′-biphenyl]-4-yl)methyl]bis(dimethylglyoximato-κ2N,N′)(pyridine-κN)cobalt(III)This article is dedicated to late Professor B. D. Gupta.

    OpenAIRE

    Sarvendra Kumar; Suresh Thapa

    2012-01-01

    The title compound, [Co(C14H14Cl)(C4H6N2O2)2(C5H5N)], is a model compound for the more complex cobalamines like vitamins B12. The CoIII atom is coordinated by a (4′-chloromethyl-[1,1′-biphenyl]-4-yl)methyl group, an N-bonded pyridine and two N,N′-bidentate dimethylglyoximate ligands in a distorted octahedral geometry. The glyoximate ligands exhibit intramolecular O—H...O hydrogen bonds, which is very common in cobaloxime derivatives.

  19. Ligand modeling and design

    Energy Technology Data Exchange (ETDEWEB)

    Hay, B.P. [Pacific Northwest National Lab., Richland, WA (United States)

    1997-10-01

    The purpose of this work is to develop and implement a molecular design basis for selecting organic ligands that would be used in the cost-effective removal of specific radionuclides from nuclear waste streams. Organic ligands with metal ion specificity are critical components in the development of solvent extraction and ion exchange processes that are highly selective for targeted radionuclides. The traditional approach to the development of such ligands involves lengthy programs of organic synthesis and testing, which in the absence of reliable methods for screening compounds before synthesis, results in wasted research effort. The author`s approach breaks down and simplifies this costly process with the aid of computer-based molecular modeling techniques. Commercial software for organic molecular modeling is being configured to examine the interactions between organic ligands and metal ions, yielding an inexpensive, commercially or readily available computational tool that can be used to predict the structures and energies of ligand-metal complexes. Users will be able to correlate the large body of existing experimental data on structure, solution binding affinity, and metal ion selectivity to develop structural design criteria. These criteria will provide a basis for selecting ligands that can be implemented in separations technologies through collaboration with other DOE national laboratories and private industry. The initial focus will be to select ether-based ligands that can be applied to the recovery and concentration of the alkali and alkaline earth metal ions including cesium, strontium, and radium.

  20. Hydrothermal Synthesis and Crystal Structure of a Novel Catena Co(Ⅱ) Complex Bridged by Biphenyl-2,2'-dicarboxylate Divalent Anion

    Institute of Scientific and Technical Information of China (English)

    MIAO Qian; HU Mao-lin; LI Xin-hua; XIAO Hong-ping

    2005-01-01

    The title complex, [Co2(bpdc)2(bim)4]n(bpdc=biphenyl-2,2'-dicarboxylate dianion, bim=benzimidazole), was synthesized in a aqueous solution and its crystal structure was determined by means of X-ray diffraction. There are two different coordinated Co(Ⅱ) centers in the complex. The Co1 center has a deformed trigonal-bipyramidal geometry, while the Co2 center possesses a tetrahedral geometry. In addition, the two different coordination modes of bpdc ligands act as two kinds of bridges to link Co1 and Co2, resulting in a catena chain.

  1. Danish emission inventory for hexachlorobenzene and polychlorinated biphenyls

    DEFF Research Database (Denmark)

    Nielsen, Ole-Kenneth; Plejdrup, Marlene Schmidt; Winther, Morten;

    This report documents the improved air emission inventories for hexachlorobenzene (HCB) and polychlorinated biphenyls (PCBs). The emission inventories now include all sources covered by the EMEP/EEA Guidebook. The completeness and accuracy of the inventories for these pollutants have been signifi...

  2. 77 FR 54818 - Polychlorinated Biphenyls (PCBs): Revisions to Manifesting Regulations

    Science.gov (United States)

    2012-09-06

    ... AGENCY 40 CFR Part 761 RIN 2050-AG71 Polychlorinated Biphenyls (PCBs): Revisions to Manifesting... manifesting requirements for PCBs under TSCA to the manifesting requirements for hazardous waste under RCRA... bring into alignment, as much as possible, the manifesting requirements for PCBs to those of...

  3. Polychlorinated Biphenyls: In situ Bioremediation from the Environment

    Science.gov (United States)

    Polychlorinated biphenyls (PCBs) are a group of hydrophobic and stable organic compounds consisting of 209 possible congeners. Because of their unique physico-chemical properties, PCBs were used in a wide range of industrial applications. The properties that made PCBs useful in i...

  4. FIBER OPTIC FLUOROIMMUNOSENSOR FOR THE DETECTION OF POLYCHLORINATED BIPHENYLS

    Science.gov (United States)

    There currently exists a critical and growing need for cost-effective, real-time, and in situ methods for detection of environmental pollutants such as polychlorinated biphenyls (PCBs). erein reported is a evanescent wave Fluoroimmunosensor for measurement of PCBS. 2,4-5-Trichlor...

  5. Polychlorinated Biphenyl Sorption and Availability in Field-Contaminated Sediments†

    OpenAIRE

    Werner, David; Hale, Sarah E.; Ghosh, Upal; Luthy, Richard G.

    2009-01-01

    Traditional and new relationships of polychlorinated biphenyl (PCB) distribution among the solid phases, the free aqueous phase, and biolipids are comprehensively reviewed using seven well-characterized freshwater and marine sediments polluted with PCBs. The traditional relationship relating free aqueous concentration and biolipid concentration to sediment total organic carbon, compound octanol−water partitioning coefficient, and solid-phase contaminant concentration overestimates measured fr...

  6. Ligand modeling and design

    Energy Technology Data Exchange (ETDEWEB)

    Hay, B. [Pacific Northwest Lab., Richland, WA (United States)

    1996-10-01

    The purpose of this work is to develop and implement a molecular design basis for selecting organic ligands that would be used tin applications for the cost-effective removal of specific radionuclides from nuclear waste streams.

  7. Biphenyl-utilizing bacteria and their functional genes in a pine root zone contaminated with polychlorinated biphenyls (PCBs)

    Czech Academy of Sciences Publication Activity Database

    Leigh, M. B.; Pellizari, V. H.; Uhlík, Ondřej; Sutka, R.; Rodrigues, J.; Ostrom, N. E.; Zhou, J.; Tiedje, J. M.

    2007-01-01

    Roč. 1, č. 2 (2007), s. 134-148. ISSN 1751-7362 Institutional research plan: CEZ:AV0Z40550506 Keywords : polychlorinated biphenyls * rhizosphere * aromatic dioxygenase * bioremediation Subject RIV: DK - Soil Contamination ; De-contamination incl. Pesticides

  8. Role of inhalation in exposure to polychlorinated biphenyls (PCBs)

    International Nuclear Information System (INIS)

    Polychlorinated biphenyls (PCBs) are a group of aromatic compounds consisting of a biphenyl variously chlorinated. Industrial production of PCBs started in 1929 and stopped in the second half of the '70s in USA and in the late 80's and 90's in Europe. PCBs are ubiquitous pollutants. The way of human exposure to PCBs is a matter of discussion. Scientific data show that the greater exposure occurs through diet. However, other available data suggest a not marginal role of the inhalation exposure. The sources of PCBs to which population are exposed depend on the amount of redistribution of these compounds released in the environment. The aim of this work is to highlight numerous studies proving that the intake of PCBs by inhalation cannot be neglected, in particular in heavily industrialized areas and where the concentration of PCBs in the environmental matrices is particularly high

  9. Dehalorespiration with Polychlorinated Biphenyls by an Anaerobic Ultramicrobacterium▿

    OpenAIRE

    May, Harold D.; Miller, Greg S.; Birthe V. Kjellerup; Sowers, Kevin R.

    2008-01-01

    Anaerobic microbial dechlorination is an important step in the detoxification and elimination of polychlorinated biphenyls (PCBs), but a microorganism capable of coupling its growth to PCB dechlorination has not been isolated. Here we describe the isolation from sediment of an ultramicrobacterium, strain DF-1, which is capable of dechlorinating PCBs containing double-flanked chlorines added as single congeners or as Aroclor 1260 in contaminated soil. The isolate requires Desulfovibrio spp. in...

  10. The Influence of Polychlorinated Biphenyls Contamination on Soil Protein Expression

    OpenAIRE

    Xi Zhang; Feng Li; Tingting Liu; Cheng Peng; Dechao Duan; Chen Xu; Shenhai Zhu; Jiyan Shi

    2013-01-01

    Polychlorinated biphenyls (PCBs) are typical representative of chlorinated organic pollutants. Given the toxicity of PCBs, there is an urgent need to select an appropriate indicator to monitor their biological effects on soil ecosystems. For this purpose, we investigated the impacts of PCBs on soil protein and the potential of using protein as a biological indicator to assess soil contamination due to PCBs. This study demonstrated that soil protein concentration and expression were negatively...

  11. Anaerobic Dehalogenation of Hydroxylated Polychlorinated Biphenyls by Desulfitobacterium dehalogenans

    OpenAIRE

    Wiegel, Juergen; Zhang, Xiaoming; Wu, Qingzhong

    1999-01-01

    Ten years after reports on the existence of anaerobic dehalogenation of polychlorinated biphenyls (PCBs) in sediment slurries, we report here on the rapid reductive dehalogenation of para-hydroxylated PCBs (HO-PCBs), the excreted main metabolites of PCB in mammals, which can exhibit estrogenic and antiestrogenic activities in humans. The anaerobic bacterium Desulfitobacterium dehalogenans completely dehalogenates all flanking chlorines (chlorines in ortho position to the para-hydroxyl group) ...

  12. Toxicity mechanisms and interactions of polychlorinated biphenyls and polybrominated diphenylethers

    OpenAIRE

    Antonijević Biljana; Milovanović Vesna; Ćurčić Marijana; Janković Saša; Jaćević Vesna; Vučinić Slavica

    2012-01-01

    Polychlorinated biphenyls (PCBs) and brominated flame retardants, polybrominated diphenylethers (PBDEs), are widespread environmental contaminants as a result of anthropogenic activities and due to their persistency and resistance to degradation. Both groups of chemicals are placed on the list of persistent organic pollutants (POPs), covered by the Stockholm convention which is aimed to limit or ban the production, use, emission, import and export of POPs i...

  13. Analysis of polychlorinated biphenyls (PCBs) in human serum.

    OpenAIRE

    Luotamo, M; Järvisalo, J; Aitio, A

    1985-01-01

    Polychlorinated biphenyls (PCBs) are widely dispersed in the environment. Occupational exposure to PCBs takes place, e.g., in manufacture and repair of capacitors and transformers. A special type of exposure of workers to PCBs may occur in connection with accidents where capacitors or transformers containing PCBs products are damaged, as in the case of a fire or electric arcing. The quantitation of PCBs poses several problems: There are 209 different homologs and isomers of PCBs. The isomers ...

  14. Polychlorinated Biphenyl (PCB) carcinogenicity with special emphasis on airborne PCBs

    OpenAIRE

    Robertson, Larry W.; Ludewig, Gabriele

    2011-01-01

    Polychlorinated biphenyls (PCBs) are industrial chemicals used in various applications requiring chemical stabilityand have now become widely dispersed. Their characteristics of persistence, low water/higher lipid solubility, contribute to their ability to bioconcentrate and bioaccumulate. Traditionally PCBs have been regulated as food contaminants and the general population is primarily exposed by that route. PCBs in foodstuffs are generally higher chlorinated, resistant to metabolic breakdo...

  15. Binding of polychlorinated biphenyls to the aryl hydrocarbon receptor.

    OpenAIRE

    Kafafi, S A; Afeefy, H Y; A. H. Ali; Said, H K; Kafafi, A G

    1993-01-01

    A new thermodynamic model for calculating the dissociation constants of complexes formed between the aryl hydrocarbon receptor (AhR) and polychlorinated biphenyls (PCBs) is reported. The free energies of binding of PCBs to AhR are controlled by their lipophilicities, electron affinities, and entropies. The corresponding physicochemical properties of polychlorinated dibenzo-p-dioxins and dibenzofurans also control their interactions with AhR. We present evidence supporting the hypothesis that ...

  16. Gas chromatographic separation of methoxylated polychlorinated biphenyl atropisomers

    OpenAIRE

    Kania-Korwel, Izabela; Vyas, Sandhya M.; Song, Yang; Lehmler, Hans-Joachim

    2008-01-01

    Several polychlorinated biphenyls (PCBs) and their hydroxylated metabolites display axial chirality. Here we describe an enantioselective, gas chromatographic separation of methylated derivatives of hydroxylated (OH-)PCB atropisomers (MeO-PCB) using a chemically bonded β-cyclodextrin column (Chirasil-Dex). The atropisomers of several MeO-PCBs could be separated on this column with resolutions ranging from 0.42–0.87 under isothermal or temperature-programmed conditions. In addition, the enanti...

  17. Human Receptor Activation by Aroclor 1260, a Polychlorinated Biphenyl Mixture

    OpenAIRE

    Wahlang, Banrida; Falkner, K. Cameron; Clair, Heather B.; Al-Eryani, Laila; Prough, Russell A.; States, J. Christopher; Coslo, Denise M.; Omiecinski, Curtis J.; Cave, Matthew C.

    2014-01-01

    Polychlorinated biphenyls (PCBs) are persistent environmental toxicants, present in 100% of U.S. adults and dose-dependently associated with obesity and non-alcoholic fatty liver disease (NAFLD). PCBs are predicted to interact with receptors previously implicated in xenobiotic/energy metabolism and NAFLD. These receptors include the aryl hydrocarbon receptor (AhR), pregnane xenobiotic receptor (PXR), constitutive androstane receptor (CAR), peroxisome proliferator-activated receptors (PPARs), ...

  18. Polychlorinated Biphenyls Water Pollution along the River Nile, Egypt

    OpenAIRE

    Ayman Mohamed Megahed; Hesham Dahshan; Abd-El-Kader, Mahdy A.; Amr Mohamed Mohamed Abd-Elall; Mariam Hassan Elbana; Ehab Nabawy; Mahmoud, Hend A.

    2015-01-01

    Ten polychlorinated biphenyl (PCB) congeners were determined in water samples collected along the River Nile using gas chromatography-electron capture detector (GC-ECD). PCB concentrations ranged from 14 to 20 μg/L, which were higher than those reported in previous studies, indicating serious PCB pollution in the River Nile. PCB congener profiles varied depending on the sampling sties. PCB-138 was the predominant congener accounting for more than 18% of total PCBs. The composition of PCB cong...

  19. ACCUMULATION OF POLYCHLORINATED BIPHENYLS IN AQUATIC ORGANISMS AND ENVIRONMENT

    OpenAIRE

    ÇAKIROĞULLARI, Gül

    2010-01-01

    Polychlorinated biphenyls (PCBs) were discovered in the late of the 19th century and their usefulness for industry, because of their physical properties, was recognized early. The PCBs have been used commercially, since 1930, as dielectric and heat-exchange fluids and in a variety of other applications. They have become widely distributed in the environment throughout the world, and are persistent and accumulate in food webs. PCBs accumulate in the fatty tissues of humans and other animals an...

  20. Polychlorinated Biphenyl Presence in the Columbia River Corridor

    Energy Technology Data Exchange (ETDEWEB)

    R. M. Hermann

    2007-09-06

    The U. S. Department of Energy (DOE) is required by Comprehensive Environmental Response, Compensation, and Liability Act of 1980 regulations to develop a conceptual understanding of potential contaminant releases from the Hanford Site based on an evaluation of existing data and known historical practices. Polychlorinated biphenyls (PCBs) are one environmental contaminant potentially released through leaks, spills, or disposal. This document presents a summary of selected relevant existing information, including environmental studies and Hanford Site analytical data.

  1. Removal of polychlorinated biphenyls by desulfurization and emissions of polychlorinated biphenyls from sintering plants.

    Science.gov (United States)

    Wang, Mengjing; Hou, Meifang; Zhao, Kai; Li, Haifeng; Han, Ying; Liao, Xiao; Chen, Xuebin; Liu, Wenbin

    2016-04-01

    The influence of desulfurization on polychlorinated biphenyls (PCBs) from sintering plants was investigated. The concentrations of dioxin-like (dl) PCBs, toxic equivalents (TEQs), indicator PCBs, and total tri- to deca-chlorinated PCB homolog groups (∑PCBs) in the flue gases at the desulfurization system inlets were 290-1906 pg m(-3) (2.4-18.8 pg World Health Organization (WHO) TEQ m(-3)), 420-2885 pg m(-3), and 6496-22,648 pg m(-3), respectively. Desulfurization reduced the values to 43.3-500 pg m(-3) (0.46-9.5 pg WHO-TEQ m(-3)), 183-587 pg m(-3), and 2383-11,639 pg m(-3), respectively. The removed PCBs were adsorbed by gypsum from the flue gas; the PCB concentration distributions at the inlets and outlets and in the gypsum samples were similar. The emission factors were 9.86 ng WHO-TEQ t(-1) for the flue gas and 8.37 ng WHO-TEQ t(-1) for gypsum. Desulfurization decreased the annual atmospheric PCB emissions from 48.6 to 30.7 g WHO-TEQ, and the estimated annual emissions in gypsum were 8.06 g WHO-TEQ. PCBs in the gypsum have not been effectively eliminated and will probably reenter the environment and in turn become a new source of PCB emission. The PCB concentrations in fly ashes from series-connected electrostatic precipitators clearly increased. PMID:26690582

  2. Reactivity of polychlorinated biphenyls in nucleophilic and electrophilic substitutions

    Energy Technology Data Exchange (ETDEWEB)

    Gorbunova, Tatyana I., E-mail: gorbunova@ios.uran.ru [I. Ya. Postovskii Institute of Organic Synthesis, Ural Branch, Russian Academy of Sciences, Kovalevskoy St., 22, Ekaterinburg 620990 (Russian Federation); Subbotina, Julia O. [Ural Federal University named after the first President of Russia B.N. Yeltsin, Mira St., 19, Ekaterinburg 620002 (Russian Federation); Saloutin, Viktor I.; Chupakhin, Oleg N. [I. Ya. Postovskii Institute of Organic Synthesis, Ural Branch, Russian Academy of Sciences, Kovalevskoy St., 22, Ekaterinburg 620990 (Russian Federation)

    2014-08-15

    Graphical abstract: - Highlights: • Quantum chemical calculations were carried out for PCBs congeners. • Calculated descriptors were used to explain the PCBs reactivity in S{sub N} and S{sub E} substitutions. • Obtained data were used to estimate the PCBs reactivity in the S{sub N} reactions. • Calculated descriptors were insufficient to explain the PCBs reactivity in the S{sub E} reactions. • New neutralization methods of the large-capacity PCBs were discussed. - Abstract: To explain the chemical reactivity of polychlorinated biphenyls in nucleophilic (S{sub N}) and electrophilic (S{sub E}) substitutions, quantum chemical calculations were carried out at the B3LYP/6-31G(d) level of the Density Functional Theory in gas phase. Carbon atomic charges in biphenyl structure were calculated by the Atoms-in-Molecules method. Chemical hardness and global electrophilicity index parameters were determined for congeners. A comparison of calculated descriptors and experimental data for congener reactivity in the S{sub N} and S{sub E} reactions was made. It is shown that interactions in the S{sub N} mechanism are reactions of the hard acid–hard base type, these are the most effective in case of highly chlorinated substrates. To explain the congener reactivity in the S{sub E} reactions, correct descriptors were not established. The obtained results can be used to carry out chemical transformations of the polychlorinated biphenyls in order to prepare them for microbiological destruction or preservation.

  3. Glutamate receptor ligands

    DEFF Research Database (Denmark)

    Guldbrandt, Mette; Johansen, Tommy N; Frydenvang, Karla Andrea; Bräuner-Osborne, Hans; Stensbøl, Tine B; Nielsen, Birgitte; Karla, Rolf; Santi, Flavio; Krogsgaard-Larsen, Povl; Madsen, Ulf

    2002-01-01

    Homologation and substitution on the carbon backbone of (S)-glutamic acid [(S)-Glu, 1], as well as absolute stereochemistry, are structural parameters of key importance for the pharmacological profile of (S)-Glu receptor ligands. We describe a series of methyl-substituted 2-aminoadipic acid (AA...

  4. AMPA receptor ligands

    DEFF Research Database (Denmark)

    Strømgaard, Kristian; Mellor, Ian

    2004-01-01

    polyamines are known to modulate the function of these receptors in vivo. In this study, recent developments in the medicinal chemistry of polyamine-based ligands are given, particularly focusing on the use of solid-phase synthesis (SPS) as a tool for the facile generation of libraries of polyamine toxin...

  5. Role of rhizosphere microorganisms in phytoremediation of biphenyl in a contaminated groundwater plume

    International Nuclear Information System (INIS)

    This presentation discussed a pump and treat technology used in combination with a phytoremediation technology to remediate a biphenyl contaminated groundwater plume. Biphenyl is used in industrial applications as fungicide and heat transfer agent. It is highly toxic, has poor water solubility and sorbs strongly to soils. Costs for the project were estimated at $860,000 over a period of 20 years, while it was estimated that the addition of phytoremediation would cost only $125,000 over a period of 20 years. The phytoremediation containment area was added to the site which was comprised of a pump and treat system and landfill lagoons. In situ biodegradation of biphenyl was evaluated using microorganisms in poplar and willow rhizospheres. Basal salts were used as a culture medium. Methods to enhance biphenyl degradation were also investigated. Aerobic growth on biphenyl at temperatures of 8 degrees C were measured, and microbial populations were identified. The consortium with the highest biphenyl degradation was then analyzed. Major members were identified as Burkholderia xenovorans LB400 and a strain of Burkholderia xenovorans. Nitrate reduction, sulphate reduction, and methanogens were measured. Enrichment of anaerobic biphenyl degraders. Anaerobic biphenyl degradation was measured after 90 days. Details of anaerobic mineralization experiments were also provided. It was concluded that anaerobic biphenyl degradation was enhanced by TEA and fertilizer addition, as well as by poplar root exudate. tabs., figs

  6. Role of rhizosphere microorganisms in phytoremediation of biphenyl in a contaminated groundwater plume

    Energy Technology Data Exchange (ETDEWEB)

    Sun, B.; Ramsay, J. [Queen' s Univ., Kingston, ON (Canada). Dept. of Chemical Engineering

    2007-07-01

    This presentation discussed a pump and treat technology used in combination with a phytoremediation technology to remediate a biphenyl contaminated groundwater plume. Biphenyl is used in industrial applications as fungicide and heat transfer agent. It is highly toxic, has poor water solubility and sorbs strongly to soils. Costs for the project were estimated at $860,000 over a period of 20 years, while it was estimated that the addition of phytoremediation would cost only $125,000 over a period of 20 years. The phytoremediation containment area was added to the site which was comprised of a pump and treat system and landfill lagoons. In situ biodegradation of biphenyl was evaluated using microorganisms in poplar and willow rhizospheres. Basal salts were used as a culture medium. Methods to enhance biphenyl degradation were also investigated. Aerobic growth on biphenyl at temperatures of 8 degrees C were measured, and microbial populations were identified. The consortium with the highest biphenyl degradation was then analyzed. Major members were identified as Burkholderia xenovorans LB400 and a strain of Burkholderia xenovorans. Nitrate reduction, sulphate reduction, and methanogens were measured. Enrichment of anaerobic biphenyl degraders. Anaerobic biphenyl degradation was measured after 90 days. Details of anaerobic mineralization experiments were also provided. It was concluded that anaerobic biphenyl degradation was enhanced by TEA and fertilizer addition, as well as by poplar root exudate. tabs., figs.

  7. Synergistic Processing of Biphenyl and Benzoate: Carbon Flow Through the Bacterial Community in Polychlorinated-Biphenyl-Contaminated Soil

    Science.gov (United States)

    Leewis, Mary-Cathrine; Uhlik, Ondrej; Leigh, Mary Beth

    2016-02-01

    Aerobic mineralization of PCBs, which are toxic and persistent organic pollutants, involves the upper (biphenyl, BP) and lower (benzoate, BZ) degradation pathways. The activity of different members of the soil microbial community in performing one or both pathways, and their synergistic interactions during PCB biodegradation, are not well understood. This study investigates BP and BZ biodegradation and subsequent carbon flow through the microbial community in PCB-contaminated soil. DNA stable isotope probing (SIP) was used to identify the bacterial guilds involved in utilizing 13C-biphenyl (unchlorinated analogue of PCBs) and/or 13C-benzoate (product/intermediate of BP degradation and analogue of chlorobenzoates). By performing SIP with two substrates in parallel, we reveal microbes performing the upper (BP) and/or lower (BZ) degradation pathways, and heterotrophic bacteria involved indirectly in processing carbon derived from these substrates (i.e. through crossfeeding). Substrate mineralization rates and shifts in relative abundance of labeled taxa suggest that BP and BZ biotransformations were performed by microorganisms with different growth strategies: BZ-associated bacteria were fast growing, potentially copiotrophic organisms, while microbes that transform BP were oligotrophic, slower growing, organisms. Our findings provide novel insight into the functional interactions of soil bacteria active in processing biphenyl and related aromatic compounds in soil, revealing how carbon flows through a bacterial community.

  8. Synthesis, structural, spectroscopic and thermal characteristics of disubstituted biphenyl derivative: Biphenyl-4,4‧-diacetic acid

    Science.gov (United States)

    Sienkiewicz-Gromiuk, Justyna; Głuchowska, Halina; Tarasiuk, Bogdan; Mazur, Liliana; Rzączyńska, Zofia

    2014-07-01

    A novel 4,4‧-disubstituted biphenyl derivative featuring two acetic acid side arms symmetrically attached to a biphenyl system, that is biphenyl-4,4‧-diacetic acid (H2bpda), has been successfully synthesized by means of the three-stage organic strategy. The synthesis product was characterized by elemental analysis, various spectroscopic techniques including FT-IR, Raman, 1H and 13C NMR as well as thermogravimetric and TG-FT-IR coupled measurements. The phase purity of material was verified on the basis of the X-ray powder diffraction. The studied compound crystallizes in the monoclinic P21/c space group with half of the molecule in the asymmetric unit. Structural studies indicate intermolecular Osbnd H⋯O hydrogen bonding between the carboxylic groups of the adjacent molecules of H2bpda. The occurrence of intermolecularly associated carboxylic groups can also be clearly seen in the vibrational spectra of the acid. On thermal analysis both in air and nitrogen an anhydrous compound demonstrates considerable thermal stability.

  9. Analysis of macromolecules, ligands and macromolecule-ligand complexes

    Science.gov (United States)

    Von Dreele, Robert B.

    2008-12-23

    A method for determining atomic level structures of macromolecule-ligand complexes through high-resolution powder diffraction analysis and a method for providing suitable microcrystalline powder for diffraction analysis are provided. In one embodiment, powder diffraction data is collected from samples of polycrystalline macromolecule and macromolecule-ligand complex and the refined structure of the macromolecule is used as an approximate model for a combined Rietveld and stereochemical restraint refinement of the macromolecule-ligand complex. A difference Fourier map is calculated and the ligand position and points of interaction between the atoms of the macromolecule and the atoms of the ligand can be deduced and visualized. A suitable polycrystalline sample of macromolecule-ligand complex can be produced by physically agitating a mixture of lyophilized macromolecule, ligand and a solvent.

  10. Ligand-Receptor Interactions

    CERN Document Server

    Bongrand, Pierre

    2008-01-01

    The formation and dissociation of specific noncovalent interactions between a variety of macromolecules play a crucial role in the function of biological systems. During the last few years, three main lines of research led to a dramatic improvement of our understanding of these important phenomena. First, combination of genetic engineering and X ray cristallography made available a simultaneous knowledg of the precise structure and affinity of series or related ligand-receptor systems differing by a few well-defined atoms. Second, improvement of computer power and simulation techniques allowed extended exploration of the interaction of realistic macromolecules. Third, simultaneous development of a variety of techniques based on atomic force microscopy, hydrodynamic flow, biomembrane probes, optical tweezers, magnetic fields or flexible transducers yielded direct experimental information of the behavior of single ligand receptor bonds. At the same time, investigation of well defined cellular models raised the ...

  11. Radiobiology with DNA ligands

    International Nuclear Information System (INIS)

    The paper deals with the following topics: labelling of DNA ligands and other tumour-affinic compounds with 4.15-d 124I, radiotoxicity of Hoechst 33258 and 33342 and of iodinated Hoechst 33258 in cell cultures, preparation of 76Br-, 123I-, and 221At-labelled 5-halo-2'-deoxyuridine, chemical syntheses of boron derivatives of Hoechst 33258.III., Gadolinium neutron capture therapy

  12. Imidazoline receptors ligands

    Directory of Open Access Journals (Sweden)

    Agbaba Danica

    2012-01-01

    Full Text Available Extensive biochemical and pharmacological studies have determined three different subtypes of imidazoline receptors: I1-imidazoline receptors (I1-IR involved in central inhibition of sympathicus that produce hypotensive effect; I2-imidazoline receptors (I2-IR modulate monoamine oxidase B activity (MAO-B; I3-imidazoline receptors (I3-IR regulate insulin secretion from pancreatic β-cells. Therefore, the I1/I2/I3 imidazoline receptors are selected as new, interesting targets for drug design and discovery. Novel selective I1/I2/I3 agonists and antagonists have been recently developed. In the present review, we provide a brief update to the field of imidazoline research, highlighting some of the chemical diversity and progress made in the 2D-QSAR, 3D-QSAR and quantitative pharmacophore development studies of I1-IR and I2-IR imidazoline receptor ligands. Theoretical studies of I3-IR ligands are not yet performed because of insufficient number of synthesized I3-IR ligands.

  13. Plasma polychlorinated biphenyls in residents of 91 PCB-contaminated and 108 non-contaminated dwellings

    DEFF Research Database (Denmark)

    Meyer, Harald William; Frederiksen, Marie; Göen, Thomas;

    2013-01-01

    In the1950s-1970s polychlorinated biphenyls (PCBs) were used in several countries as plasticizers in elastic sealants in buildings.......In the1950s-1970s polychlorinated biphenyls (PCBs) were used in several countries as plasticizers in elastic sealants in buildings....

  14. Health and productivity of dairy cows fed polychlorinated biphenyls

    Energy Technology Data Exchange (ETDEWEB)

    Willett, L.B.; Liu, T.T.; Durst, H.I.; Smith, K.L.; Redman, D.R.

    1987-07-01

    Holstein cows were studied through a complete lactation, a nonlactating period, and 42 days of a subsequent lactation for overt and subtle responses to a commercial mixture of polychlorinated biphenyls. Dosed cows (n = 4) received consecutive 60-day periods of daily dosing with 10, 100, and 1000 mg of Aroclor 1254. Control cows (n = 6) received daily sham doses. The following were recorded: daily milk production, feed intake, and health observations; weekly body weight, temperature, heart and respiratory rates and rectal palpation; semi-monthly clinical chemistry determinations; and monthly milk fat, microbiological culture of quarter foremilk samples, and composite milk somatic cell counts. Mean daily milk production (22.4 +/- 1.1 vs 24.8 +/- 1.0 kg) and net energy of a complete lactation (1.46 +/- 0.05 vs 1.45 +/- 0.03 Mcal/kg dry matter intake) were not different (p = 0.85) for control and PCB-dosed cows. Milk production during the first 42 days of the subsequent lactation was also similar for control and dosed cows. Occurrences of injuries, dysfunctions, and general infections were not related to polychlorinated biphenyl exposure. Intramammary infections were detected for both lactations with 51 and 32 infections detected in microbiological cultures, respectively, for the control and dosed groups. Environmental pathogens were most frequently isolated from cases of clinically apparent mastitis. The majority of quarter infections detected were due to Corynebacterium bovis. Only one animal (dosed, necropsy revealed left oviduct obstructed) failed to conceive with three to six services required before conception for the other control and dosed cows. Exposure to polychlorinated biphenyls resulting in maximal residues in milk fat, near 100 micrograms/g, had no apparent effect on health and productivity.

  15. Polychlorinated biphenyl exposure and effects in transformer repair workers.

    OpenAIRE

    Emmett, E A

    1985-01-01

    Fifty-five present and past transformer repair workers exposed to polychlorinated biphenyls (PCBs) and 56 unexposed comparison workers were evaluated in a clinical-epidemiologic study. The groups were similar in most demographic variables. Adipose tissue lipid and serum PCBs concentrations were higher in current exposed workers (geometric means adipose 2.1 ppm, serum 12.2 ppb). Concentrations in comparison (0.6 ppm and 4.6 ppb) and previously exposed (0.83 ppm and 5.9 ppb) workers were lower....

  16. Half-life of polybrominated biphenyl in human sera.

    OpenAIRE

    Rosen, D H; Flanders, W. D.; Friede, A.; Humphrey, H E; Sinks, T H

    1995-01-01

    Polybrominated biphenyl (PBB), a flame-retardant material, was introduced into the food chain in Michigan in 1973 due to a manufacturing and distribution mistake. Following public concern about the long-term health effects of PBB in humans, a cohort of PBB-exposed Michigan residents was assembled in 1975. We initiated this study to determine the half-life of PBB in human sera and to understand how continued body burden relates to the possible adverse health consequences of PBB exposure. To de...

  17. Degradation of polychlorinated biphenyls (PCBs) using palladized iron

    International Nuclear Information System (INIS)

    Contamination from polychlorinated biphenyls (PCBs) is a persistent problem within the Department of Energy complex, as well as in numerous industrial sites around the US. To date, commercially available technologies for destroying these highly stable compounds involve degradation at elevated temperatures either through incineration or base-catalyzed dehalogenation at 300 degrees C. Since the heating required with these processes substantially increases the costs for treatment of PCB-contaminated wastes, there is a need for finding an alternative approach where PCB can be degraded at ambient temperatures. This report describes the degradation of PCB's utilizing the bimetallic substrate of iron/palladium

  18. Influence of polychlorinated biphenyls on the growth of chicken embryos

    Energy Technology Data Exchange (ETDEWEB)

    Hatano, Yasuhiko; Hatano, Akira [Chub Women`s College, Gifu-ken (Japan)

    1994-12-31

    Incubation of chicken embryos with either 0.01 or 0.03 ppm polychlorinated biphenyls (PCBs) for 12, 15, or 18 d resulted in a significant decrease in liver and body weight associated with enhanced mortality. Teratological examination revealed an increased frequency of malformations including hydrops, eventration, wry neck, and brevicollis. PCB exposure was also found to produce histologic damage to liver and cutaneous tissue. Our data demonstrate that exposure of chicks to PCBs during development results in a retardation of growth, an increased incidence of malformations, and histopathologic damage. 9 refs., 2 figs., 4 tabs.

  19. Degradation of polychlorinated biphenyls (PCBs) using palladized iron

    Energy Technology Data Exchange (ETDEWEB)

    West, O.R.; Liang, L.; Holden, W.L. [and others

    1996-06-01

    Contamination from polychlorinated biphenyls (PCBs) is a persistent problem within the Department of Energy complex, as well as in numerous industrial sites around the US. To date, commercially available technologies for destroying these highly stable compounds involve degradation at elevated temperatures either through incineration or base-catalyzed dehalogenation at 300{degrees}C. Since the heating required with these processes substantially increases the costs for treatment of PCB-contaminated wastes, there is a need for finding an alternative approach where PCB can be degraded at ambient temperatures. This report describes the degradation of PCB`s utilizing the bimetallic substrate of iron/palladium.

  20. Isolation and characteristics of a novel biphenyl-degrading bacterial strain, Dyella ginsengisoli LA-4

    Institute of Scientific and Technical Information of China (English)

    LI Ang; QU Yuanyuan; ZHOU Jiti; GOU Min

    2009-01-01

    A novel biphenyl-degrading bacterial strain LA-4 was isolated from activated sludge. It was identified as Dyella ginsengisoli according to phylogenetic similarity of 16S rRNA gene sequence. This isolate could utilize biphenyl as sole source of carbon and energy, which degraded over 95 mg/L biphenyl within 36 h. The major metabolites formed from biphenyl, such as 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (HOPDA) and benzoic acid, were identified by LC-MS. The crude cell extract of strain LA-4 exhibited the activity of 2,3-dihydroxybiphenyl 1,2-dioxygenase (2,3-DHBD) and the kinetic parameters were Km= 26.48 μmol/L and Vmax= 8.12 μmol/mg protein. A conserved region of the biphenyl dioxygenase gene bphA1 of strain LA-4 was amplified by PCR and confirmed by DNA sequencing.

  1. Study of tritium labeling of complex mixture of polychlorinated biphenyls

    International Nuclear Information System (INIS)

    The method for tritium labeling of technical mixture (commercial mark - SOVOL, USSR) of polychlorinated biphenyls (PCBs) was developed. The influence of procedure of labeling by thermally activated tritium on the nativity of polychlorinated biphenyls (PCBs) was studied. The method of labeling by thermally activated tritium has some factors, which are able to destroy organic compounds - photodegradation, thermo-degradation and degradation caused by reaction of substitution of organic compounds hydrogen atoms by activated tritium atoms. To develop a method of labeling of every organic compound by thermally activated tritium it is necessary to determine and optimize the conditions of labeling. In our case procedure of labeling is complicated because of technical mixture of PCBs consist from more than 20 isomers, chlorinated with different degree. We studied the dependence of appearance of products of degradation PCBs from duration of labeling procedure. It was found that some part of PCBs and product of its degradation were evaporated under vacuum and were collected on the glass flask cooled by liquid nitrogen. It was found that correlation between labeled of PCBs and products of degradation did not changed with increasing time of labeling, and radiochemical yield of tritium labeled of PCBs was stable - about 15-20 %. The optimum regime of labeling was selected. It was found that purification of labeled PCBs by TLC on silica gel with hexane allows obtaining tritium-labeled PCBs purified from by-products. Thus, TLC purification seems inexpensive, fast and suitable for purification of tritium-labeled PCBs

  2. Polychlorinated biphenyl residues in sandstorm depositions in Beijing, China.

    Science.gov (United States)

    Fu, Shan; Yang, Zhong-Zhi; Li, Ke; Xu, Xiao-Bai

    2008-10-01

    Sandstorms, which distribute many particles, are a special atmospheric occurrence and are frequent in northern China. We conducted this study to determine, for the first time, the concentration of polychlorinated biphenyls (PCBs) in sandstorm depositions. We collected 13 samples from urban areas of Beijing, and we measured a total of 144 PCB congeners. Thirteen samples all contained PCB residues. The total PCB concentration ranged from 1.6 to 15.6ngg(-1) (median, 4.8ngg(-1), dry weight), with trichlorinated biphenyls as the predominant homologue (>50.4%). Furthermore, we observed increasing PCB contamination from northwest to east Beijing. We later explored possible factors affecting contamination of the sandstorm depositions, which revealed a significant correlation between SigmaPCBs and the minimum particle size of the sandstorm deposition samples. Principal-component analysis revealed that the major source of PCBs in Beijing may be potentially associated with the number-one commercial PCB through the long-range transmission. In previous results, PCBs were not a severe component of contamination in sandstorm depositions of Beijing. However, this study suggested that sandstorm deposition may be a potential source of exposure to PCBs for the residents of Beijing, China. PMID:18674798

  3. Molecular path for ligand search

    Institute of Scientific and Technical Information of China (English)

    Tao Lu; Yuan Yuan Qiao; Pan Wen Shen

    2011-01-01

    A ligand is a small molecule bind to several residues of a receptor. We adapt the concept of molecular path for effective ligand search with its contacting residues. Additionally, we allow wild type definitions on atoms and bonds of molecular paths for fuzzy algorithms on structural match. We choose hydrogen bond interactions to characterize the binding mode of a ligand by several proper molecular paths and use them to query the deposited ligands in PDBe that interact with their residues in the same way. Expression of molecular path and format of database entries are described with examples. Our molecular path provides a new approach to explore the ligand-receptor interactions and to provide structural framework reference on new ligand design.

  4. Macrocyclic G-quadruplex ligands

    DEFF Research Database (Denmark)

    Nielsen, M C; Ulven, Trond

    2010-01-01

    G-quadruplex stabilizing compounds have recently received increased interest due to their potential application as anticancer therapeutics. A significant number of structurally diverse G-quadruplex ligands have been developed. Some of the most potent and selective ligands currently known are...... macrocyclic structures which have been modeled after the natural product telomestatin or from porphyrin-based ligands discovered in the late 1990s. These two structural classes of G-quadruplex ligands are reviewed here with special attention to selectivity and structure-activity relationships, and with focus...

  5. Mechanistic insights on the hydrodesulfurization of biphenyl-2-thiol with nickel compounds.

    Science.gov (United States)

    Torres-Nieto, Jorge; Brennessel, William W; Jones, William D; García, Juventino J

    2009-03-25

    The reactivity of the nickel(I) dimer [(dippe)Ni(mu-H)](2) (1) with biphenyl-2-thiol was explored with the aim of clarifying the key step of sulfur extrusion during the hydrodesulfurization process using dibenzothiophene (DBT). These reactions were monitored by variable temperature NMR experiments which allowed the complete characterization and isolation of [(dippe)(2)Ni(2)(mu-H)(mu-S-2-biphenyl)] (3). The latter compound evolves to the terminal nickel-hydride [(dippe)Ni (eta(1)-C-2-biphenyl)(H)] (4) and transient [(dippe)NiS] (5), to ultimately yield [(dippe)(2)Ni(2)(mu-S)] (2) and biphenyl as the resulting HDS products. The reactivity of 1 and biphenyl-2-thiol was examined using different ratios of reactants, which allowed preparation of [(dippe)Ni(eta(1)-S-biphenyl-2-thiolate)(2)] (6) when using an excess of this substrate. The reactivity of 6 with 1 was addressed, yielding compound 2 and an equivalent amount of biphenyl. PMID:19292493

  6. DFT-B3LYP study of interactions between host biphenyl-1-aza-18-crown-6 ether derivatives and guest Cd(2+): NBO, NEDA, and QTAIM analyses.

    Science.gov (United States)

    Behjatmanesh-Ardakani, R; Pourroustaei-Ardakani, F; Taghdiri, M; Kotena, Zahrabatoul Mosapour

    2016-07-01

    This report present the results of natural energy decomposition analysis (NEDA), natural bond orbital (NBO), and quantum theory of atoms in molecules (QTAIM) calculations of three derivatives of biphenyl-1-aza-18-crown-6 ether and their 1:1 complexes with Cd(2+). All calculations used the B3LYP density functional theory in combination with the 6-311G and WTBS basis sets for ligands and Cd(2+) ion, respectively. Ligands 1 and 3 have a single 1-aza-18-crown-6, substituent; ligand 2 has two such substituents. The results show that, in the optimized geometries of the complexes, the distance between N and Cd(2+) is greater than the distance between O and Cd(2+). NBO and QTAIM data confirm these results. There was no stabilization energy or bond critical point for N · · · Cd(2+) in NBO or QTAIM, respectively. Data show that the O · · · Cd(2+) interaction is a kind of closed shell interaction. The trend of the calculated stabilization energy was similar to the experimental data. Different contributions of interaction energies for complex formation were analyzed by NEDA, and the results show that the main component of the interactions is accounted for by polarization. PMID:27271162

  7. Mathematical modeling of human dietary exposure to polychlorinated biphenyls

    Energy Technology Data Exchange (ETDEWEB)

    Adamov, J.; Vojinovic-Miloradov, M.; Jovetic, S.; Buzarov, D. [Univ. of Novi Sad, Chemistry Dept. (Czechoslovakia)

    2004-09-15

    In this paper a mathematical model for human dietary exposure to polychlorinated biphenyls is postulated, based on the calculation of human exposure factors to PCBs via different members of the terrestrial food chain. On the basis of postulated model and experimental values for the atmospheric and soil concentration of PCBs it is possible to calculate the average daily exposure of a human organism to these ubiquitous environmental toxicants, which represent a constant threat to human health due to various chronic, developmental and genetic effects. Proposed model is the contribution to the development of exposure analysis, which is a part of a complex process of risk assessment, which gains its importance in the current situation of rapid development of industry and technology and the existence of innumerable anthropogenic hazardous chemicals.

  8. Vapor solvent decontamination of PCB [polychlorinated biphenyls] transformer components

    International Nuclear Information System (INIS)

    A process is provided to recover reclaimable material from discarded transformers containing PCB (polychlorinated biphenyl) insulating oils and to minimize the volume of materials which are subject to environmental regulation upon disposal. According to the invention, the transformer is drained and given an initial cleaning. The internal parts are removed and cleaned a second time as is the empty transformer casing. Recoverable materials such as aluminum and copper are cleaned to less than 10 μg of PCB per 100 cm2, allowing these materials to be recycled rather than buried. Almost all of the remaining nonmetallic materials are combustible solids or liquids which can be destroyed by incineration. The cleaning is accomplished using trichloroethylene solvent, chosen for its low boiling point which makes it easy to recycle using an isothermal separator. The removed transformer parts are cleaned in a secondary cleaning station consisting of 3 separate sections including tumbling baskets. 2 figs

  9. Kinetics of polychlorinated biphenyl partitioning to marine Chrysophyte Isochrysis galbana

    International Nuclear Information System (INIS)

    This study focused on the uptake kinetics of polychlorinated biphenyl (PCB) congeners by the Chrysophyte, Isochrysis galbana. A gas-purging experimental system was used to maintain constant dissolved PCB concentrations. Three phases of absorption were observed: first, a rapid absorption phase within the first 15 min, second, a first order process reaching the maximum concentration within 48 h of exposure, and third, a plateau phase as yet to be determined with very slight increases in concentration. In this study, the percentage of the maximum concentration reached within the first phase varied from 10% to 67%, depending on the size of the PCB (as determined by molecular weight and total surface area), whereas the uptake rate (ku) during the second phase was more comparable across different PCBs. In addition, for the first phase, the bioconcentration factor (BCF) of PCBs deviated from its expected relationship with hydrophobicity, as determined by Kow, and was instead related to the molecular structure of the compound.

  10. Classical molecular dynamics investigations of biphenyl-based carbon nanomembranes

    Directory of Open Access Journals (Sweden)

    Andreas Mrugalla

    2014-06-01

    Full Text Available Background: Free-standing carbon nanomembranes (CNM with molecular thickness and macroscopic size are fascinating objects both for fundamental reasons and for applications in nanotechnology. Although being made from simple and identical precursors their internal structure is not fully known and hard to simulate due to the large system size that is necessary to draw definite conclusions.Results: We performed large-scale classical molecular dynamics investigations of biphenyl-based carbon nanomembranes. We show that one-dimensional graphene-like stripes constitute a highly symmetric quasi one-dimensional energetically favorable ground state. This state does not cross-link. Instead cross-linked structures are formed from highly excited precursors with a sufficient amount of broken phenyls.Conclusion: The internal structure of the CNM is very likely described by a disordered metastable state which is formed in the energetic initial process of electron irradiation and depends on the process of relaxation into the sheet phase.

  11. Guidance on the management of polychlorinated biphenyls (PCBs)

    Energy Technology Data Exchange (ETDEWEB)

    1993-11-01

    Polychlorinated biphenyls (PCBs) are a class of synthetic organic chemicals including 209 known isomers, each with from 1 to 10 chlorine atoms on a biphenyl ring. PCBs have a number of desirable properties for industrial applications including thermal stability, flame retardance, and low vapor pressure. Because of these properties, PCBs were widely used as dielectric fluid in electrical equipment such as utility transformers and capacitors. PCBs were also extensively used in hydraulic fluid and heat transfer fluid, in gaskets, as additives in cutting oils and lubricant, and in a variety of other uses. The Toxic Substances Control Act (TSCA) banned the manufacture of PCBs after 1978 in response to emerging information about the adverse health effects of PCBs and their persistence in the environment. In addition, TSCA directed the Administrator of the Environmental Protection Agency (EPA) to prescribe methods for disposal of PCBS, require marking of PCBs with warning labels, and control their use. The TSCA regulations allow continued use of PCBs provided that the use is totally enclosed and does not pose a risk to human health or the environment. However, at the end of their useful life, all PCB materials must be disposed of according to the TSCA regulations. This guidance document uses graphics and flow charts where possible to present the TSCA regulations according to management activities such as use, storage, disposal, and spill cleanup. The document is designed to be read on an as-needed basis; that is, each chapter can stand alone or may be read in combination with others to help the reader determine the regulations relevant to his or her individual situation and needs. Every attempt has been made to include the requirements of other statutes and regulations that apply to PCB materials and provide references for the reader to consult for additional information.

  12. A terminal nickel(II) anilide complex featuring an unsymmetrically substituted amido pincer ligand: synthesis and reactivity.

    Science.gov (United States)

    Liang, Lan-Chang; Li, Chun-Wei; Lee, Pei-Ying; Chang, Chih-Hsiang; Lee, Hon Man

    2011-09-21

    This work describes preparation and reaction chemistry of a terminal nickel(II) anilide complex supported by an unsymmetrically substituted diarylamido diphosphine ligand, [N(o-C(6)H(4)PPh(2))(o-C(6)H(4)P(i)Pr(2))](-) ([Ph-PNP-(i)Pr](-)). Treatment of NiCl(2)(DME) with H[Ph-PNP-(i)Pr] in THF at room temperature produced [Ph-PNP-(i)Pr]NiCl as green crystals in 82% yield. Salt metathesis of [Ph-PNP-(i)Pr]NiCl with LiNHPh(THF) in THF at -35 °C generated cleanly [Ph-PNP-(i)Pr]NiNHPh as a greenish blue solid. The anilide complex deprotonates protic (e.g., PhOH and PhSH) and aprotic (e.g., trimethylsilylacetylene, phenylacetylene, and acetonitrile) acids in benzene at room temperature to give quantitatively [Ph-PNP-(i)Pr]NiX (X = OPh, SPh, C≡CSiMe(3), C≡CPh, CH(2)CN). In addition, [Ph-PNP-(i)Pr]NiNHPh also behaves as a nucleophile to react with acetyl chloride to yield [Ph-PNP-(i)Pr]NiCl and N-phenylacetamide quantitatively. Carbonylation of [Ph-PNP-(i)Pr]NiNHPh with carbon monoxide affords cleanly the carbamoyl derivative [Ph-PNP-(i)Pr]Ni[C(O)NHPh]. The relative bond strengths of Ni-E in [Ph-PNP-(i)Pr]NiEPh (E = NH, O, S, C≡C) are assessed and discussed. PMID:21666917

  13. Uptake of polychlorinated biphenyls and organochlorine pesticides from soil and air into radishes (Raphanus sativus)

    DEFF Research Database (Denmark)

    Mikes, Ondrej; Cupr, P.; Trapp, Stefan;

    2009-01-01

    Uptake of organochlorine pesticides and polychlorinated biphenyls from soil and air into radishes was measured at a heavily contaminated field site. The highest contaminant concentrations were found for DDT and its metabolites, and for beta-hexachlorocyclohexane. Bioconcentration factor (BCF...

  14. COMPARING POLYCHLORINATED BIPHENYLS IN FARM-RAISED AND WILD-CAUGHT CATFISH FROM SOUTHERN MISSISSIPPI

    Science.gov (United States)

    Polychlorinated biphenyls (PCBs) are among the most thermally stable organic chemicals known. This characteristic has historically made them useful in a wide array of applications including use in electrical transformers and capacitors, varnishes, waxes, synthetic resins, epoxy ...

  15. Polychlorinated biphenyl (PCB) removal from the Kenai National Wildlife Refuge, Alaska, October 1984 and 1988

    Data.gov (United States)

    US Fish and Wildlife Service, Department of the Interior — This report covers the removal of polychlorinated biphenyl PCB from Kenai National Wildlife Refuge in Alaska during October 1984 and 1985. Atlantic Ritchfield...

  16. METHODS FOR DETERMINING THE POLYCHLORINATED BIPHENYL EMISSIONS FROM INCINERATION AND CAPACITOR AND TRANSFORMER FILLING PLANTS

    Science.gov (United States)

    Described are methods to measure the polychlorinated biphenyl (PCB) emissions from the stacks of municipal waste, industrial waste, and sewage sludge incinerators and from capacitor and transformer filling plants. The PCB emissions from the incineration plants are collected by im...

  17. 78 FR 20640 - Polychlorinated Biphenyls (PCBs); Recycling Plastics from Shredder Residue

    Science.gov (United States)

    2013-04-05

    ... Residue (77 FR 74006). Additional background information on recycling activities that would be affected by... AGENCY Polychlorinated Biphenyls (PCBs); Recycling Plastics from Shredder Residue AGENCY: Environmental... will generally allow for the recycling of plastic separated from shredder residue under the...

  18. Immunologic effects of background exposure to polychlorinated biphenyls and dioxins in Dutch preschool children

    NARCIS (Netherlands)

    N. Weisglas-Kuperus (Nynke); S. Patandin (Svati); G.A. Berbers; T.C.J. Sas (Theo); P.J.J. Sauer (Pieter); H. Hooijkaas (Herbert); P.G.H. Mulder (Paul)

    2000-01-01

    textabstractPrenatal exposure to polychlorinated biphenyls (PCBs) and dioxins is associated with changes in the T-cell lymphocyte population in healthy Dutch infants. We investigated whether these changes persist into later childhood and whether background exposure to P

  19. catena-Poly[[[aquasilver(I]-μ-1,1′-(butane-1,4-diyldi-1H-imidazole-κ2N3:N3′] hemi(biphenyl-4,4′-dicarboxylate dihydrate

    Directory of Open Access Journals (Sweden)

    Zheyu Zhang

    2009-12-01

    Full Text Available In the title compound, {[Ag(C10H14N4(H2O](C14H8O40.5·2H2O}n, the AgI ion is three-coordinated by two N atoms from two independent 1,1′-(butane-1,4-diyldi-1H-imidazole (BBI ligands and one water O atom in a distorted T-shaped coordination geometry. The biphenyl-4,4′-dicarboxylate (BPDC dianions do not coordinate to AgI ions but act as counter-ions. The AgI ions are linked by BBI ligands, forming a zigzag chain. These chains are linked into a two-dimensional supramolecular architecture by O—H...O hydrogen-bonding interactions between water molecules and carboxylate O atoms of the BPDC dianions.

  20. Polychlorinated biphenyls (PCBs) and neurological development in children: a systematic review

    OpenAIRE

    Ribas-Fito, N; Sala, M.; Kogevinas, M; Sunyer, J.

    2001-01-01

    BACKGROUND—Polychlorinated biphenyls (PCBs) are complex mixtures of persistent contaminants that are widespread in the environment. Newborns are exposed across the placenta and through breast feeding. Experimental animal studies have indicated that PCBs are neurotoxic. The neurological effects of these compounds on children are not clear. Methods—A systematic review of literature on the relation between neurological development in children and exposure to polychlorinated biphenyls.
RESULTS—Se...

  1. Brominated Biphenyls Prime Extensive Microbial Reductive Dehalogenation of Aroclor 1260 in Housatonic River Sediment

    OpenAIRE

    Bedard, Donna L.; Van Dort, Heidi; DeWeerd, Kim A.

    1998-01-01

    The upper Housatonic River and Woods Pond (Lenox, Mass.), a shallow impoundment on the river, are contaminated with polychlorinated biphenyls (PCBs), the residue of partially dechlorinated Aroclor 1260. Certain PCB congeners have the ability to activate or “prime” anaerobic microorganisms in Woods Pond sediment to reductively dehalogenate the Aroclor 1260 residue. We proposed that brominated biphenyls might have the same effect and tested the priming activities of 14 mono-, di-, and tribromin...

  2. Novel Ring Cleavage Products in the Biotransformation of Biphenyl by the Yeast Trichosporon mucoides

    OpenAIRE

    Sietmann, Rabea; Hammer, Elke; Specht, Michael; Carl E Cerniglia; Schauer, Frieder

    2001-01-01

    The yeast Trichosporon mucoides, grown on either glucose or phenol, was able to transform biphenyl into a variety of mono-, di-, and trihydroxylated derivatives hydroxylated on one or both aromatic rings. While some of these products accumulated in the supernatant as dead end products, the ortho-substituted dihydroxylated biphenyls were substrates for further oxidation and ring fission. These ring fission products were identified by high-performance liquid chromatography, gas chromatography-m...

  3. Directed Evolution of Biphenyl Dioxygenase: Emergence of Enhanced Degradation Capacity for Benzene, Toluene, and Alkylbenzenes

    OpenAIRE

    Suenaga, Hikaru; Mitsuoka, Mariko; Ura, Yuko; Watanabe, Takahito; Furukawa, Kensuke

    2001-01-01

    Biphenyl dioxygenase (Bph Dox) catalyzes the initial oxygenation of biphenyl and related compounds. Bph Dox is a multicomponent enzyme in which a large subunit (encoded by the bphA1 gene) is significantly responsible for substrate specificity. By using the process of DNA shuffling of bphA1 of Pseudomonas pseudoalcaligenes KF707 and Burkholderia cepacia LB400, a number of evolved Bph Dox enzymes were created. Among them, an Escherichia coli clone expressing chimeric Bph Dox exhibited extremely...

  4. Electrochemical Oxidation of H₂ Catalyzed by Ruthenium Hydride Complexes Bearing P₂N₂ Ligands With Pendant Amines as Proton Relays

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Tianbiao L.; Rakowski DuBois, Mary; DuBois, Daniel L.; Bullock, R. Morris

    2014-01-01

    Two Ru hydride complexes (Cp*Ru(PPh₂NBn₂)H, (1-H) and Cp*Ru(PtBu₂NBn₂)H, (2-H) supported by cyclic PR₂NR'ligands (Cp* = n⁵-C₅Me₅; 1,5-diaza-3,7-diphosphacyclooctane, where R = Ph or tBu and R' = Bn) have been synthesized and fully characterized. Both complexes are demonstrated to be electrocatalysts for oxidation of H₂ (1 atm, 22 °C) in the presence of external base, DBU (1,8-diazabicyclo[5.4.0]undec-7-ene). The turnover frequency of 2-H is 1.2 s-1, with an overpotential at Ecat/2 of 0.45 V, while catalysis by 1-H has a turnover frequency of 0.6 s-1 and an overpotential of 0.6 V at Ecat/2. Addition of H₂O facilitates oxidation of H₂ by 2-H and increases its turnover frequency to 1.9 s-1 while , H₂O slows down the catalysis by 1-H. The different effects of H₂O for 1-H and 2-H are ascribed to different binding affinities of H₂O to the Ru center of the corresponding unsaturated species, [Cp*Ru(PPh₂NBn₂)]+ and [Cp*Ru(PPh₂NBn₂)]+. In addition, studies of Cp*Ru(dmpm)H (where dmpm = bis(dimethylphosphino)methane), a control complex lacking pendent amines in its diphosphine ligand, confirms the critical roles of the pendent amines of P₂N₂ ligands for oxidation of H₂. We thank the U.S. Department of Energy, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences, for supporting initial parts of the work. Current work is supported by the Center for Molecular Electrocatalysis, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  5. Regional analysis of potential polychlorinated biphenyl degrading bacterial strains from China.

    Science.gov (United States)

    Shuai, Jianjun; Yu, Xurun; Zhang, Jing; Xiong, Ai-Sheng; Xiong, Fei

    2016-01-01

    Polychlorinated biphenyls (PCBs), the chlorinated derivatives of biphenyl, are one of the most prevalent, highly toxic and persistent groups of contaminants in the environment. The objective of this study was to investigate the biodegradation of PCBs in northeastern (Heilongjiang Province), northern (Shanxi Province) and eastern China (Shanghai municipality). From these areas, nine soil samples were screened for PCB-degrading bacteria using a functional complementarity method. The genomic 16S rDNA locus was amplified and the products were sequenced to identify the bacterial genera. Seven Pseudomonas strains were selected to compare the capacity of bacteria from different regions to degrade biphenyl by HPLC. Compared to the biphenyl content in controls of 100%, the biphenyl content went down to 3.7% for strain P9-324, 36.3% for P2-11, and 20.0% for the other five strains. These results indicate that a longer processing time led to more degradation of biphenyl. PCB-degrading bacterial strains are distributed differently in different regions of China. PMID:27140507

  6. Released ligand fluoroimmunoassay

    International Nuclear Information System (INIS)

    Radioimmunoassay (RIA) is one of the most sensitive and specific methods for analysis of proteins, drugs and other substances commonly found in biological fluids. Because of the limited stability and problems in handling radioisotopes (particularly 125I), there has been a continuous effort in recent years to develop non-isotopic immunoassays. Fluoroimmunoassay is one of the more promising alternatives to RIA, but has relatively low sensitivity due to background fluorescence from other substances in biological fluids. The authors have proposed an alternative type of fluoroimmunoassay, released ligand fluoroimmunoassay (RLFIA), wherein the fluorophore is released from the analyte and analyzed separately, thus reducing the problems of background fluorescence. 1-(4-(3-(2,3-dihydroxy-1-carboxyethyl))-phenyl)-3-(3-(7-diethylamino-4-methylcoumarinyl)) thiourea (IX), a fluorescent coumarin derivative with a periodate cleavable vic-glycol linkage, was synthesized and employed to demonstrate the principle of RLFIA. The principle of the RLFIA was tested by comparison with a commercially available kit Immuno-Fluor IgG Assay. Because of the lower quantum yield of the fluorophore used, the sensitivity of the resulting RLFIA was only one tenth that of the commercial kit. As an outgrowth of this project, a series of analogs of compound IX, having electron donating and withdrawing groups at the phenyl ring, were synthesized in order to study the effect of substituent on fluorescence yield. An interactive computer graphics system, Chemical Structure Drawing 2-Dimensional (CSD2D), developed by the author mainly for the generation of publication quality structure drawings is also described

  7. Nutraceuticals as Ligands of PPARγ

    OpenAIRE

    Meera Penumetcha; Nalini Santanam

    2012-01-01

    Peroxisome proliferator-activated receptors (PPARs) are ligand-activated nuclear receptors that respond to several exogenous and endogenous ligands by modulating genes related to lipid, glucose, and insulin homeostasis. PPARγ, expressed in adipose tissue and liver, regulates lipid storage and glucose metabolism and is the target of type 2 diabetes drugs, thiazolidinediones (TZDs). Due to high levels of toxicity associated with the first generation TZDs, troglitazone (Rezulin), rosiglitazone (...

  8. Validity of Ligand Efficiency Metrics

    OpenAIRE

    Murray, Christopher W; Erlanson, Daniel A.; Hopkins, Andrew L.; Keserü, György M; Leeson, Paul D.; Rees, David C.; Reynolds, Charles H.; Richmond, Nicola J.

    2014-01-01

    A recent viewpoint article (Improving the plausibility of success with inefficient metrics. ACS Med. Chem. Lett.2014, 5, 2–5) argued that the standard definition of ligand efficiency (LE) is mathematically invalid. In this viewpoint, we address this criticism and show categorically that the definition of LE is mathematically valid. LE and other metrics such as lipophilic ligand efficiency (LLE) can be useful during the multiparameter optimization challenge faced by med...

  9. Biphenyl and Benzoate Metabolism in a Genomic Context: Outlining Genome-Wide Metabolic Networks in Burkholderia xenovorans LB400

    OpenAIRE

    Denef, V. J.; Park, J; Tsoi, T. V.; Rouillard, J.-M.; Zhang, H; Wibbenmeyer, J. A.; Verstraete, W; Gulari, E.; Hashsham, S. A.; Tiedje, J. M.

    2004-01-01

    We designed and successfully implemented the use of in situ-synthesized 45-mer oligonucleotide DNA microarrays (XeoChips) for genome-wide expression profiling of Burkholderia xenovorans LB400, which is among the best aerobic polychlorinated biphenyl degraders known so far. We conducted differential gene expression profiling during exponential growth on succinate, benzoate, and biphenyl as sole carbon sources and investigated the transcriptome of early-stationary-phase cells grown on biphenyl....

  10. Structural insight into the expanded PCB-degrading abilities of a biphenyl dioxygenase obtained by directed evolution

    OpenAIRE

    Kumar, Pravindra; Mohammadi, Mahmood; Viger, Jean-François; Barriault, Diane; Gomez-Gil, Leticia; Eltis, Lindsay D.; Bolin, Jeffrey T.; Sylvestre, Michel

    2010-01-01

    The biphenyl dioxygenase of Burkholderia xenovorans LB400 is a multicomponent Rieske-type oxygenase (RO) that catalyzes the dihydroxylation of biphenyl and many polychlorinated biphenyls (PCBs). The structural bases for the substrate specificity of the enzyme’s oxygenase component (BphAELB400) are largely unknown. BphAEp4, a variant previously obtained through directed evolution, transforms several chlorobiphenyls, including 2,6-dichlorobiphenyl, more efficiently than BphAELB400 yet differs f...

  11. Ligand Identification Scoring Algorithm (LISA)

    Science.gov (United States)

    Zheng, Zheng; Merz, Kenneth M.

    2011-01-01

    A central problem in de novo drug design is determining the binding affinity of a ligand with a receptor. A new scoring algorithm is presented that estimates the binding affinity of a protein-ligand complex given a three-dimensional structure. The method, LISA (Ligand Identification Scoring Algorithm), uses an empirical scoring function to describe the binding free energy. Interaction terms have been designed to account for van der Waals (VDW) contacts, hydrogen bonding, desolvation effects and metal chelation to model the dissociation equilibrium constants using a linear model. Atom types have been introduced to differentiate the parameters for VDW, H-bonding interactions and metal chelation between different atom pairs. A training set of 492 protein-ligand complexes was selected for the fitting process. Different test sets have been examined to evaluate its ability to predict experimentally measured binding affinities. By comparing with other well known scoring functions, the results show that LISA has advantages over many existing scoring functions in simulating protein-ligand binding affinity, especially metalloprotein-ligand binding affinity. Artificial Neural Network (ANN) was also used in order to demonstrate that the energy terms in LISA are well designed and do not require extra cross terms. PMID:21561101

  12. Synthesis and Optical Properties of Thiol Functionalized CdSe/ZnS (Core/Shell Quantum Dots by Ligand Exchange

    Directory of Open Access Journals (Sweden)

    Huaping Zhu

    2014-01-01

    Full Text Available The colloidal photoluminescent quantum dots (QDs of CdSe (core and CdSe/ZnS (core/shell were synthesized at different temperatures with different growth periods. Optical properties (i.e., UV/Vis spectra and photoluminescent emission spectra of the resulting QDs were investigated. The shell-protected CdSe/ZnS QDs exhibited higher photoluminescent (PL efficiency and stability than their corresponding CdSe core QDs. Ligand exchange with various thiol molecules was performed to replace the initial surface passivation ligands, that is, trioctylphosphine oxide (TOPO and trioctylphosphine (TOP, and the optical properties of the surface-modified QDs were studied. The thiol ligand molecules in this study included 1,4-benzenedimethanethiol, 1,16-hexadecanedithiol, 1,11-undecanedithiol, biphenyl-4,4′-dithiol, 11-mercapto-1-undecanol, and 1,8-octanedithiol. After the thiol functionalization, the CdSe/ZnS QDs exhibited significantly enhanced PL efficiency and storage stability. Besides surface passivation effect, such enhanced performance of thiol-functionalized QDs could be due to cross-linked assembly formation of dimer/trimer clusters, in which QDs are linked by dithiol molecules. Furthermore, effects of ligand concentration, type of ligand, and heating on the thiol stabilization of QDs were also discussed.

  13. Remediation of PCB [polychlorinated biphenyl] -contaminated soils from scrapyards

    International Nuclear Information System (INIS)

    Much of the recent attention on contamination of the environment by polychlorinated biphenyls (PCB) has focused on liquid PCB spills from electrical equipment. A new, and possibly more serious, source of PCB contamination is the scrap yard, typically located in or near major urban centers, where the local scrap dealer would purchase used transformers or other PCB-containing electrical equipment, recover copper and other metals, and dump the PCB-containing oils on the ground. With the rising value of urban and suburban lands, these scrap yards may be slated for redevelopment, making the cleanup of contaminated soils necessary. The heterogeneous distribution of scrap yard contaminants requires a very detailed site assessment, and the heterogeneous mixture of typical scrap yard contaminants (not only PCB) cannot be treated in a simple fashion. These problems are illustrated for the case of the assessment and cleanup of a scrap yard site in Nova Scotia. A grid block system was used to sample soil at the site, and samples were analyzed for PCB, metals, and hydrocarbons. The most severely contaminated spots were mapped; groundwater patterns were also examined. The remediation process can be divided into 5 phases: physical separation of uncontaminated material; three stages of separation of materials into those having single, several-but-similar, and multicomponent mixed contaminations; and selection of appropriate process technologies. Since there is currently no approved PCB destruction facility in Atlantic Canada, excavated soils containing PCB are stored securely on the site to await approval for some type of incineration process

  14. Effects of polychlorinated biphenyls and lipemia on serum analytes

    Energy Technology Data Exchange (ETDEWEB)

    Steinberg, K.K.; Freni-Titulaer, L.W.J.; Rogers, T.N.; Burse, V.W.; Mueller, P.W.; Stehr, P.A.; Miller, D.T.; Steele, G.

    1986-01-01

    Twelve serum analytes (triglycerides, cholesterol, total and conjugated bilirubin, high-density-lipoprotein cholesterol (HDL-C) alkaline phosphatase (AP), gammaglutamyl transferase (GGT), aspartate aminotransferase (AST), alanine aminotransferase (ALT), ..beta..-glucoronidase (..beta..-glu), alanine aminopeptidase (AAP), and 5'-nucleotidase (5'nuc)) were measured to investigate their correlation with exposure to polychlorinated biphenyls (PCBs) and 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane (DDT). The relationship between serum lipids, lipophilic toxicants, and the analytes was also evaluated. The ..beta..-glue, 5'nuc, triglycerides, cholesterol, and total bilirubin correlated positively and significantly with log concentrations of serum total PCBs and 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene (DDE), a metabolite of DDT. The more highly chlorinated PCBs had significant, positive correlations with several serum analytes, but the less chlorinated PCBs correlated significantly and negatively only with HDL-cholesterol. Triglyercide- and cholesterol-rich lipoproteins were added to serum to determine the effects of lipids on these assays. Several were spuriously elevated. AP and ..beta..-glu were not affected by lipoprotein addition with the methods used in this study. AAP was increased significantly only at triglyceide concentrations exceeding 400 mg/dl.

  15. Polychlorinated Biphenyls Water Pollution along the River Nile, Egypt

    Directory of Open Access Journals (Sweden)

    Ayman Mohamed Megahed

    2015-01-01

    Full Text Available Ten polychlorinated biphenyl (PCB congeners were determined in water samples collected along the River Nile using gas chromatography-electron capture detector (GC-ECD. PCB concentrations ranged from 14 to 20 μg/L, which were higher than those reported in previous studies, indicating serious PCB pollution in the River Nile. PCB congener profiles varied depending on the sampling sties. PCB-138 was the predominant congener accounting for more than 18% of total PCBs. The composition of PCB congeners in the water revealed that highly chlorinated PCB technical mixtures such as Aroclor 1254 was the main PCB production historically used in Egypt. An increasing trend in PCB levels from the upper stream to the Nile estuaries was observed. The calculated flux of PCBs indicated that 6.8 tons of PCBs is dumped into the Mediterranean Sea each year from the River Nile. The hazard quotients and carcinogenic risk caused by PCB pollution in the River Nile were above the acceptable level indicating that PCBs in the River Nile water pose adverse health effects for all age groups. Our findings revealed that PCBs possess a serious risk to the Egyptian population that depends mainly on the River Nile as a source of water. Thus, stricter legislation and regulatory controls should be applied to reduce the risk of PCBs in Egypt.

  16. The internal barriers of rotation for the 209 polychlorinated biphenyls.

    Science.gov (United States)

    Andersson, P L; Haglund, P; Tysklind, M

    1997-01-01

    The internal barrier of rotation (Erot) was calculated for all 209 polychlorinated biphenyls (PCBs) by using a semi-empirical method, viz. the Austin Model 1 (AMI) Hamiltonian. The difference in total energy between a forced planar state and an optimised twisted structure was defined as Erot. The Erot values were in the range of 8.33 to 483 kJ/mol, and were significantly influenced by the number of chlorine atoms in ortho position. An additional structural characteristic of the PCBs influencing Erot of ortho substituted congeners was substitution by chlorine atoms in vicinal meta positions, which is assumed to prevent outward bending of ortho substituents. This so-called buttressing effect contributed with 4 to 31 kJ/mol per added chlorine atom. In conclusion, the internal barrier of rotation, calculated for all 209 PCBs, provides an important structure dependent physico-chemical parameter for multivariate modelling of future quantitative structure-activity and structure-property relationships (QSARs/QSPRs). PMID:19005788

  17. Preconception maternal polychlorinated biphenyl concentrations and the secondary sex ratio

    International Nuclear Information System (INIS)

    The secondary sex ratio is the ratio of male to female live births and historically has ranged from 102 to 106 males to 100 females. Temporal declines have been reported in many countries prompting authors to hypothesize an environmental etiology. Blood specimens were obtained from 99 women aged 24-34 prior to attempting pregnancy and quantified for 76 polychlorinated biphenyl (PCB) congeners using dual column gas chromatography with electron capture detection. Women were prospectively followed until pregnancy or 12 cycles of trying. The odds of a male birth for three PCB groupings (total, estrogenic, anti-estrogenic) controlling for maternal characteristics were estimated using logistic regression. Among the 50 women with live births and PCB data, 26 female and 24 male infants were born (ratio 0.92). After adjusting for age and body mass index, odds of a male birth were elevated among women in the second (OR=1.29) and third (OR=1.48) tertiles of estrogenic PCBs; odds (OR=0.70) were reduced among women in the highest tertile of anti-estrogenic PCBs. All confidence intervals included one. The direction of the odds ratios in this preliminary study varied by PCB groupings, supporting the need to study specific PCB patterns when assessing environmental influences on the secondary sex ratio

  18. A comprehensive approach to actual polychlorinated biphenyls environmental contamination.

    Science.gov (United States)

    Risso, F; Magherini, A; Ottonelli, M; Magi, E; Lottici, S; Maggiolo, S; Garbarino, M; Narizzano, R

    2016-05-01

    Worldwide polychlorinated biphenyls (PCBs) pollution is due to complex mixtures with high number of congeners, making the determination of total PCBs in the environment an open challenge. Because the bulk of PCBs production was made of Aroclor mixtures, this analysis is usually faced by the empirical mixture identification via visual inspection of the chromatogram. However, the identification reliability is questionable, as patterns in real samples are strongly affected by the frequent occurrence of more than one mixture. Our approach is based on the determination of a limited number of congeners chosen to enable objective criteria for Aroclor identification, summing up the advantages of congener-specific analysis with the ones of total PCBs determination. A quantitative relationship is established between congeners and any single mixture, or mixtures combination, leading to the identification of the actual contamination composition. The approach, due to its generality, allows the use of different sets of congeners and any technical mixture, including the non-Aroclor ones. The results confirm that PCB environmental pollution in northern Italy is based on Aroclor. Our methodology represents an important tool to understand the source and fate of the PCBs contamination. PMID:26805927

  19. Organochlorine pesticides and polychlorinated biphenyls in California sea lions

    International Nuclear Information System (INIS)

    Concentrations of polychlorinated biphenyls (PCBs), DDTs, chlordanes, HCHs, hexachlorobenzene (HCB), dieldrin, heptachlor epoxide, tris(4-chlorophenyl)methane (TCPMe), and tris(4-chlorophenyl)methanol (TCPMOH) were measured in the blubber of California sea lions (Zalophus californianus) collected in 2000. DDTs were the most predominant contaminants, followed by PCBs, chlordanes, TCPMe, HCHs, TCPMOH, dieldrin, and heptachlor epoxide. Concentrations of PCBs and DDTs varied from a few μg/g to several hundreds of μg/g on a lipid weight basis. Concentrations of DDTs have declined by an order of magnitude over the last three decades in California sea lions; nevertheless, the measured concentrations of PCBs and DDTs in California sea lions are still some of the highest values reported for marine mammals in recent years. Concentrations of organochlorines were highly correlated with one another. Concentrations of PCBs and DDTs in the blubber of gray whale, humpback whale, northern elephant seal, and harbor seal, and in the adipose fat of sea otter, were lower than the levels found in California sea lions, and were in the range of a few to several μg/g on a lipid weight basis

  20. Continuous catalytic hydrodechlorination of polychlorinated biphenyls (PCBs) in transformer oil.

    Science.gov (United States)

    Veriansyah, Bambang; Choi, Hye-Min; Lee, Youn-Woo; Kang, Jeong Won; Kim, Jae-Duck; Kim, Jaehoon

    2009-12-01

    Continuous catalytic hydrodechlorination of polychlorinated biphenyls (PCBs) in the presence of transformer oils was carried out in a fixed bed reactor using a 57.6 wt% Ni on silicon oxide-aluminum oxide (SiO(2)-Al(2)O(3)) catalyst. Reaction temperatures ranging 150-300 degrees C, PCBs concentrations ranging 50-200 ppm, and reaction times ranging 1-8 h were tested. At a higher reaction temperature or at a lower PCBs concentration, catalytic activity was higher and complete dechlorination of PCBs resulted even at long reaction time. Catalyst regeneration using hexane and 0.1 M sodium hydroxide (NaOH) was effective to restore the catalytic activity. Fresh, spent and regenerated catalysts were characterized by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS) analysis. XRD analysis revealed growth of Ni crystallite size of the spent and the regenerated catalysts. XPS analysis showed that a considerable amount of chlorine and carbon species were deposited on the surface of the spent catalyst, which may play a role in the catalysts deactivation. PMID:20183511

  1. Toxicity mechanisms and interactions of polychlorinated biphenyls and polybrominated diphenylethers

    Directory of Open Access Journals (Sweden)

    Antonijević Biljana

    2012-01-01

    Full Text Available Polychlorinated biphenyls (PCBs and brominated flame retardants, polybrominated diphenylethers (PBDEs, are widespread environmental contaminants as a result of anthropogenic activities and due to their persistency and resistance to degradation. Both groups of chemicals are placed on the list of persistent organic pollutants (POPs, covered by the Stockholm convention which is aimed to limit or ban the production, use, emission, import and export of POPs in order to protect human health and the environment. Taking into account the structural similarity between PCBs and PBDEs, and the known effects of PCBs, these two groups of chemicals could have similar mechanisms of action. Also, because of real simultaneous exposure to these compounds, an examination of possible interactions is of great importance. Interactions of the compounds from these groups are likely at the system level of hormones, particularly thyroid and reproductive ones. As there are mechanisms of adverse effects of both groups of chemicals on the nervous system, including functional, neurological and behavioral changes, there are influences on neurotransmiters, changes in signal transduction and apoptosis. There are interactions affecting the occurrence of metabolic disorders as well. Data on the toxicity of mixtures of PCBs and PBDEs, as well as interactions of these chemicals would contribute to the processes of risk evaluation and risk characterisation. [Projekat Ministarstva nauke Republike Srbije, br. III 46009

  2. Reproduction success of American kestrels exposed to dietary polychlorinated biphenyls.

    Science.gov (United States)

    Fernie, K J; Smits, J E; Bortolotti, G R; Bird, D M

    2001-04-01

    While reproduction of wild birds is adversely affected by multiple environmental contaminants, we determined that polychlorinated biphenyls (PCBs) alone alter reproduction. Captive American kestrels (Falco sparverius), fed PCB-spiked (Aroclor 1248:1254:1260) food (7 mg/kg body weight/d) prior to and during the first breeding season only (100 d) laid eggs with environmentally relevant levels of total PCBs (34.0 microg/g whole egg wet wt vs 0 microg/g for controls). Reproduction changed during, not after, PCB exposure in this two-year study. The PCB-exposed pairs laid smaller clutches later in the season and laid more totally infertile clutches. Hatching success was reduced in PCB-exposed pairs, and 50% of PCB nestlings died within 3 d of hatching. Nearly 60% of PCB-exposed pairs with hatchlings failed to produce fledglings. Higher levels of total PCB residues and congeners were associated with later clutch initiation and fewer fertile eggs, hatchlings, and fledglings. We suggest that nonpersistent PCB congeners have a greater influence on reproduction than do persistent congeners. PMID:11345453

  3. Organochlorine pesticides and polychlorinated biphenyls in California sea lions

    Energy Technology Data Exchange (ETDEWEB)

    Kannan, K.; Kajiwara, N.; Le Boeuf, B.J.; Tanabe, S

    2004-10-01

    Concentrations of polychlorinated biphenyls (PCBs), DDTs, chlordanes, HCHs, hexachlorobenzene (HCB), dieldrin, heptachlor epoxide, tris(4-chlorophenyl)methane (TCPMe), and tris(4-chlorophenyl)methanol (TCPMOH) were measured in the blubber of California sea lions (Zalophus californianus) collected in 2000. DDTs were the most predominant contaminants, followed by PCBs, chlordanes, TCPMe, HCHs, TCPMOH, dieldrin, and heptachlor epoxide. Concentrations of PCBs and DDTs varied from a few {mu}g/g to several hundreds of {mu}g/g on a lipid weight basis. Concentrations of DDTs have declined by an order of magnitude over the last three decades in California sea lions; nevertheless, the measured concentrations of PCBs and DDTs in California sea lions are still some of the highest values reported for marine mammals in recent years. Concentrations of organochlorines were highly correlated with one another. Concentrations of PCBs and DDTs in the blubber of gray whale, humpback whale, northern elephant seal, and harbor seal, and in the adipose fat of sea otter, were lower than the levels found in California sea lions, and were in the range of a few to several {mu}g/g on a lipid weight basis.

  4. Polychlorinated biphenyls and their interaction with the environment

    Energy Technology Data Exchange (ETDEWEB)

    Dickerson, K.S.; Korte, N.E.

    1994-05-01

    This document is a review of the existing technical literature regarding the physical and biological properties of polychlorinated biphenyls (PCBs) and their interaction with the environment. It is intended to be used when evaluating PCB-contaminated soil and the effects of specific environmental conditions on PCB degradation. PCBs are a class of chlorinated aromatic compounds with 209 possible structural arrangements. The composition of PCBs in the environment changes over time due to various physiochemical and biological properties and processes: vapor pressure, solubility, octanol-water partitioning, adsorption, and biodegradation. As the number of chlorine atoms increases, both vapor pressure and water solubility decrease, while adsorption and the octanol-water partitioning coefficient increase. Dechlorination of PCBs occurs primarily through aerobic and anaerobic microbial degradation. Aerobic bacteria preferentially dechlorinate less-chlorinated PCBs, while anaerobic bacteria preferentially dechlorinate more highly chlorinated PCBs. The less-chlorinated PCB congeners are less persistent in the environment due to volatilization, solubility, and aerobic biodegradation, while the more-chlorinated PCBs are more persistent in the environment due to adsorption. The composition of an original PCB mixture in the environment can be expected to change due to a combination of processes described above. Any attempt to determine the source of PCBs or Aroclors identified in an environment sample must be approached with caution to avoid inaccurate conclusions.

  5. Two new luminescent Zn(II) compounds constructed from guanazole and aromatic polycarboxylate ligands

    Science.gov (United States)

    Zhao, Haixiang; Dong, Yanli; Liu, Haiping

    2016-02-01

    Two new Zn(II) compounds, namely [(CH3)2NH2]2n[Zn3(bpt)2(datrz)2]n (1) and [(CH3)2NH2)]n[Zn2(bptc)(datrz)]n·n(H2O) (2) (H3bpt = biphenyl-3,4‧,5-tricarboxylic acid, H4bptc = biphenyl-3,3‧,5,5‧-tetracarboxylic acid, Hdatrz = 3,5-diamino-1,2,4-triazole), have been obtained by the self-assemble reactions of Zn(NO3)2, 3,5-diamino-1,2,4-triazole, aromatic polycarboxylate ligands under solvothermal conditions. Single crystal X-ray structural analyses reveal that both compounds display three-dimensional (3D) frameworks. Compound 1 features a trinodal (3, 4, 6)-connected topological network with the point symbol of {4.62}2{4.64.8}{46.64.85}. Compound 2 displays a binodal (4, 6)-connected topological network with the point symbol of {32.62.72}{34.42.64.75}. In addition, the thermal stabilities and luminescent properties of compounds 1 and 2 were also investigated in the solid state at room temperature.

  6. Visualization of Metal-to-Ligand and Ligand-to-Ligand Charge Transfer in Metal-Ligand Complexes

    Institute of Scientific and Technical Information of China (English)

    Yong Ding; Jian-xiu Guo; Xiang-si Wang; Sha-sha Liu; Feng-cai Ma

    2009-01-01

    Three methods including the atomic resolved density of state, charge difference density, and the transition density matrix are used to visualize metal to ligand charge transfer (MLCT) in ruthenium(Ⅱ) ammine complex. The atomic resolved density of state shows that there is density of Ru on the HOMOs. All the density is localized on the ammine, which reveals that the excited electrons in the Ru complex are delocalized over the ammine ligand. The charge difference density shows that all the holes are localized on the Ru and the electrons on the ammine. The localization explains the MLCT on excitation. The transition density matrix shows that there is electron-hole coherence between Ru and ammine. These methods are also used to examine the MLCT in Os(bpy)(p0p)Cl ("Osp0p"; bpy=2,2'-bipyridyl; p0p=4,4'-bipyridyl) and the ligand-to-ligand charge transfer (LLCT) in Alq3. The calculated results show that these methods are powerful to examine MLCT and LLCT in the metal-ligand system.

  7. Mixed ligands 8-hydroxyquinoline aluminum complex with high electron mobility for organic light-emitting diodes

    Science.gov (United States)

    Xu, Bingshe; Chen, Liuqing; Liu, Xuguang; Zhou, Hefeng; Xu, Huixia; Fang, Xiaohong; Wang, Yanli

    2008-03-01

    A mixed ligands 8-hydroxyquinoline complex (Alq2A) with improved electron mobility was designed for organic light-emitting diodes. The electron mobility in Alq2A was determined via transient electroluminescence (EL) from bilayer devices with structure of indium tin oxide/4,4'-bis[N-(1-naphthyl)-N-Phenyl amino]biphenyl/Alq2A /LiF/Al. It was found that the electron mobility in Alq2A is between (2.7and4.4)×10-6cm2/Vs at electric fields ranging between 1.42×106 and 2.40×106V /cm, which is higher than that in Alq3. The Alq2A also shows a higher EL efficiency in steady-state EL studies, which is considered to be derived from (1) improved electron mobility, (2) high fluorescene efficiency, and (3) good film-forming.

  8. Spacial Structure of Cationic Phosphorus Ligand-Ru (Ⅱ) Halide Complexes-by DFT Study

    Institute of Scientific and Technical Information of China (English)

    Yi Xin ZHAO; Shu Guang WANG

    2005-01-01

    The full-parameter geometry optimization of cationic (S)-BINAP-Ru (Ⅱ) halide complex was performed by DFT method using B3LYP, PW91 and PBE potentials with several basis sets. PW91 with 3-21G / SDD basis sets is found to be the most suitable method with consideration of both precision and efficiency. The dihedral angles (θ) of the binaphthyl or biphenyl with different phosphorus ligand-Ru (Ⅱ) halide complexes were found changing from 59.9 to 79.3 degree, while the natural bite angle (βn) of those complexes only changes from 87.4to 90.3 degree. It is different from the common view of asymmetric organic chemists' that θ directly influences βn.

  9. Why mercury prefers soft ligands

    Energy Technology Data Exchange (ETDEWEB)

    Riccardi, Demian M [ORNL; Guo, Hao-Bo [ORNL; Gu, Baohua [ORNL; Parks, Jerry M [ORNL; Summers, Anne [University of Georgia, Athens, GA; Miller, S [University of California, San Francisco; Liang, Liyuan [ORNL; Smith, Jeremy C [ORNL

    2013-01-01

    Mercury (Hg) is a major global pollutant arising from both natural and anthropogenic sources. Defining the factors that determine the relative affinities of different ligands for the mercuric ion, Hg2+, is critical to understanding its speciation, transformation, and bioaccumulation in the environment. Here, we use quantum chemistry to dissect the relative binding free energies for a series of inorganic anion complexes of Hg2+. Comparison of Hg2+ ligand interactions in the gaseous and aqueous phases shows that differences in interactions with a few, local water molecules led to a clear periodic trend within the chalcogenide and halide groups and resulted in the well-known experimentally observed preference of Hg2+ for soft ligands such as thiols. Our approach establishes a basis for understanding Hg speciation in the biosphere.

  10. Soft Landing of Mass-Selected Gold Clusters: Influence of Ion and Ligand on Charge Retention and Reactivity

    Energy Technology Data Exchange (ETDEWEB)

    Johnson, Grant E.; Laskin, Julia

    2015-02-01

    Herein, we employ a combination of reduction synthesis in solution, soft landing of mass-selected precursor and product ions, and in situ time-of-flight secondary ion mass spectrometry (TOF-SIMS) to examine the influence of ion and the length of diphosphine ligands on the charge retention and reactivity of ligated gold clusters deposited onto self-assembled monolayer surfaces (SAMs). Product ions (Au10L42+, (10,4)2+, L = 1,3-bis(diphenyl-phosphino)propane, DPPP) were prepared through in-source collision induced dissociation (CID) and precursor ions [(8,4)2+, L = 1,6-bis(diphenylphosphino)hexane, DPPH] were synthesized in solution for comparison to (11,5)3+ precursor ions ligated with DPPP investigated previously (ACS Nano 2012, 6, 573 and J. Phys. Chem. C. 2012, 116, 24977). Similar to (11,5)3+ precursor ions, the (10,4)2+ product ions are shown to retain charge on 1H,1H,2H,2H-perfluorodecanethiol monolayers (FSAMs). Additional abundant peaks at higher m/z indicative of reactivity are observed in the TOF-SIMS spectrum of (10,4)2+ product ions that are not seen for (11,5)3+ precursor ions. The abundance of (10,4)2+ on 16-mercaptohexadecanoic acid (COOH-SAMs) is demonstrated to be lower than on FSAMs, consistent with partial reduction of charge. The (10,4)2+ product ion on 1-dodecanethiol (HSAMs) exhibits peaks similar to those seen on the COOH-SAM. On the HSAM, higher m/z peaks indicative of reactivity are observed similar to those on the FSAM. The (8,4)2+ DPPH precursor ions are shown to retain charge on FSAMs similar to (11,5)3+ precursor ions prepared with DPPP. An additional peak corresponding to attachment of one gold atom to (8,4)2+ is observed at higher m/z for DPPH-ligated clusters. On the COOH-SAM, (8,4)2+ is less abundant than on the FSAM consistent with partial neutralization. The results indicate that although retention of charge by product ions generated by CID is similar to precursor ions their reactivity during analysis with SIMS is different

  11. Polychlorinated biphenyls in Spanish adults: Determinants of serum concentrations

    International Nuclear Information System (INIS)

    Background: Polychlorinated biphenyls (PCBs) are persistent compounds that may pose an environmental hazard to humans, food being the main source of exposure for the general population. Objective: To measure the serum concentrations of the main PCBs in subjects from the general population in Spain, and to assess potential determinants of such concentrations. Methods: Serum was obtained from blood samples of 953 subjects aged 35-64 years, residents in five Spanish regions (three from the North and two from the South), randomly selected from the EPIC-Spain cohort. Blood collection took place during 1992-1996 and four PCB congeners (118, 138, 153 and 180) were determined by means of gas chromatography with electron-capture detection (GC-ECD). Results: The concentration of total PCBs was 459 ng/g lipids (or 3.1 μg/l); the corresponding figures for PCB 153 were 186 ng/g lipids and 1.25 μg/l. Men had higher values than women, PCB levels increased with age, and serum concentration of PCBs was higher in northern regions. Body mass index (BMI) was inversely related to PCB concentrations, and fish intake was the dietary factor showing the greatest association with serum PCBs. The pattern described was similar for each congener separately. Conclusions: We found concentrations similar to those reported in European countries where blood collection was carried during the same period. Regional differences within Spain are not fully explained by anthropometric or dietary factors. The inverse association with BMI suggests that in the mid-1990s there was still ongoing or recent exposure to PCBs in Spain.

  12. Dietary uptake of polychlorinated biphenyls (PCBs) by rainbow trout

    Science.gov (United States)

    Carline, Robert F.; Barry, Patrick M.; Ketola, H. George

    2004-01-01

    The presence of detectable levels of polychlorinated biphenyls (PCBs) in commercially produced fish feed has raised a concern about the degree of biomagnification of these contaminants in hatchery-reared trout. Our objectives were to (1) define the relationship between concentrations of PCBs in fish feed and in fish tissue and (2) estimate the relative contributions of feed and hatchery supply water to PCB concentrations in fish. We conducted a 6-month feeding trial with fingerling rainbow trout Oncorhynchus mykiss fed commercial diets with four concentrations of PCBs: a low-PCB diet (69 ng/g); a typical commercial diet (126 ng/g); and the typical diet spiked with PCBs at two levels (220 and 280 ng/g). The concentrations of PCBs in fillets after 1 month were commensurate with those in the feeds and remained relatively stable for the next 5 months; mean PCB concentrations in fillets ranged from 54 to 94 ng/g. Low levels of PCBs were detected in the hatchery supply water. We used the concentrations of PCBs in the feeds, absorption rates of PCBs, and two different rates of PCB depuration to estimate the potential uptake of PCBs from supply water. When we used a low depuration rate (half-life = 219 d), the computed body burdens of PCBs could be entirely attributed to the feeds. When a high depuration rate (half-life = 66 d) was used, some uptake of PCBs from the supply water was likely, but most of the total body burden originated from the feeds. We concluded that rainbow trout fed a diet with 126 ng/g PCBs would have a PCB concentration of about 60 ng/g in their fillets, which is high enough to warrant issuance of a consumption advisory (no more than one meal of fish per week) under a protocol adopted by some Great Lakes states.

  13. Immunotoxicity Monitoring in a Population Exposed to Polychlorinated Biphenyls.

    Science.gov (United States)

    Haase, Hajo; Fahlenkamp, Astrid; Schettgen, Thomas; Esser, Andre; Gube, Monika; Ziegler, Patrick; Kraus, Thomas; Rink, Lothar

    2016-01-01

    The relationship between polychlorinated biphenyl (PCB) burden and several indicators of immune function was investigated as part of the HELPcB (Health Effects in High-Level Exposure to PCB) program, offering bio-monitoring to workers, relatives, and neighbors exposed to PCBs by a German transformers and capacitors recycling company. The present retrospective observational study evaluates the correlation of plasma levels of total PCBs, five indicator congeners (28, 101, 138, 153, 180), and seven dioxin-like congeners (105, 114, 118, 156, 157, 167, 189) with several parameters of immune function. The cross-sectional study was performed immediately after the end of exposure (258 subjects), and one (218 subjects), and two (177 subjects) years later. At the first time point, measurements showed significant positive correlation between congeners with low to medium chlorination and the relative proportion of CD19 positive B-cells among lymphocytes, as well as a negative correlation of PCB114 with serum IgM, and of PCB 28 with suppressor T-cell and NK-cell numbers. Congeners with a high degree of chlorination, in particular PCB157 and 189, were positively associated with expression of the activation marker CD25 on T-cells in the cohort of the second time point. No associations between PCB levels and IFN-y production by T-cells and killing by NK-cells were found. In conclusion, there were several effects on the cellular composition of adaptive immunity, affecting both T- and B-cells. However, the values were not generally outside the reference ranges for healthy adult individuals and did not indicate overt functional immunodeficiency, even in subjects with the uppermost PCB burden. PMID:27005643

  14. Immunotoxicity Monitoring in a Population Exposed to Polychlorinated Biphenyls

    Directory of Open Access Journals (Sweden)

    Hajo Haase

    2016-03-01

    Full Text Available The relationship between polychlorinated biphenyl (PCB burden and several indicators of immune function was investigated as part of the HELPcB (Health Effects in High-Level Exposure to PCB program, offering bio-monitoring to workers, relatives, and neighbors exposed to PCBs by a German transformers and capacitors recycling company. The present retrospective observational study evaluates the correlation of plasma levels of total PCBs, five indicator congeners (28, 101, 138, 153, 180, and seven dioxin-like congeners (105, 114, 118, 156, 157, 167, 189 with several parameters of immune function. The cross-sectional study was performed immediately after the end of exposure (258 subjects, and one (218 subjects, and two (177 subjects years later. At the first time point, measurements showed significant positive correlation between congeners with low to medium chlorination and the relative proportion of CD19 positive B-cells among lymphocytes, as well as a negative correlation of PCB114 with serum IgM, and of PCB 28 with suppressor T-cell and NK-cell numbers. Congeners with a high degree of chlorination, in particular PCB157 and 189, were positively associated with expression of the activation marker CD25 on T-cells in the cohort of the second time point. No associations between PCB levels and IFN-y production by T-cells and killing by NK-cells were found. In conclusion, there were several effects on the cellular composition of adaptive immunity, affecting both T- and B-cells. However, the values were not generally outside the reference ranges for healthy adult individuals and did not indicate overt functional immunodeficiency, even in subjects with the uppermost PCB burden.

  15. Polychlorinated biphenyls in serum and time to pregnancy

    International Nuclear Information System (INIS)

    Polychlorinated biphenyls (PCBs) may affect the female reproductive system in both animals and humans. In Sweden, a main exposure source to PCBs is consumption of fatty fish from the Baltic Sea. From 165 female consumers of such fish (fishermen's sisters), information on time to pregnancy (TTP) and miscarriages was collected, blood was drawn, and serum was analyzed for 2,2',4,4',5,5'-hexachlorobiphenyl (CB-153), a biomarker for total PCB exposure. TTP and miscarriage data, as well as plasma CB-153 concentrations, for 121 fishermen's wives were available from previous studies. Thus, information on 286 women was available for investigation of whether a high exposure to PCB affects fertility negatively by increasing the TTP. The concentrations of CB-153 at the time of conception were estimated and trichotomized into low, medium, and high exposure groups. When we analyzed the joint data set of fishermen's wives and fishermen's sisters, a decrease rather than an increase in TTP was indicated for women in the medium (fecundability ratio 1.27 [95% confidence interval 0.89-1.82]) and high (fecundability ratio 1.42 [0.99-2.03]) exposure groups compared to those in the low exposure group. Similar results were found when we stratified on the original data set (fishermen's wives and fishermen's sisters) or childhood exposure. Women with miscarriages had lower estimated past CB-153 concentrations than women with live births. Our data provide no evidence of a hazardous effect associated with CB-153 concentration in the exposure range assessed. The exposure levels found in the fishermen's families, although high compared to that in the general Swedish population, may not be high enough to negatively affect fertility

  16. Formation and stability of polychlorinated biphenyl Pickering emulsions

    Science.gov (United States)

    Roy-Perreault, Andréanne; Kueper, Bernard H.; Rawson, Jim

    2005-03-01

    An emulsion stabilized by colloidal suspensions of finely divided solids is known as a Pickering emulsion. The potential for polychlorinated biphenyls (PCBs) to form Pickering emulsions ex situ when in contact with powdered solids, such as clays and metal oxides, is investigated here. Bentonite, iron oxide and magnesium oxide dispersions proved to be robust Pickering emulsion stabilizers, whereas manganese oxide dispersions were not. Batch experiments revealed that emulsions can be formed using a moderately low energy input and can be stabilized with solid concentrations as low as 0.5 wt.%. For the base conditions (volumetric oil fraction ( ϕoil)=30 vol.%; solid concentration ( χ)=2 wt.%), the formed emulsions were indefinitely stable and the initial average droplet diameters varied from 80 to 258 μm, depending on the solid used in the colloidal dispersion. The average droplet size varied at early time, but for most conditions stabilized to a steady-state value 1 week after preparation. The effect of Ostwald ripening was limited. At greater than 0.5 wt.% concentration, the efficiency of the solid dispersion as a stabilizer was dependant on the volumetric oil fraction but not on the solid concentration. Generally, systems with volumetric oil fractions outside of the 20-70 vol.% range were unstable. The emulsions' droplet stability, average droplet size and size distribution were observed to vary as a function of the amount of energy provided to the system, the volumetric oil fraction, and the concentration of the solid in the aqueous dispersion. It is hypothesized that drilling through fractured rock in the immediate vicinity of dense, non-aqueous phase liquid (DNAPL) PCBs may provide both the energy and solid material necessary to form Pickering emulsions.

  17. Polychlorinated biphenyls in Spanish adults: Determinants of serum concentrations

    Energy Technology Data Exchange (ETDEWEB)

    Agudo, Antonio, E-mail: a.agudo@iconcologia.net [Unit of Nutrition, Environment, and Cancer, Cancer Epidemiology Research Program, Catalan Institute of Oncology (ICO), IDIBELL, Av. Gran Via no 199-203, 08907 L' Hospitalet de Llobregat (Spain); Goni, Fernando [Laboratorio de Salud Publica de Guipuzcoa, 20013 San Sebastian (Spain); CIBER Epidemiologia y Salud Publica (CIBERESP) (Spain); Etxeandia, Arsenio [Laboratorio de Salud Publica de Vizcaya, 48010 Bilbao (Spain); Vives, Asuncion [Laboratorio Unificado Donostia, Hospital N. S. Aranzazu, 20014 San Sebastian (Spain); Millan, Esmeralda [Departamento de Quimica Aplicada, Universidad del Pais Vasco, Facultad de Quimica, 20080 San Sebastian (Spain); Lopez, Raul [CIBER Epidemiologia y Salud Publica (CIBERESP) (Spain); Amiano, Pilar [CIBER Epidemiologia y Salud Publica (CIBERESP) (Spain); Direccion de Salud de Guipuzcoa, 20013 San Sebastian (Spain); Ardanaz, Eva; Barricarte, Aurelio [CIBER Epidemiologia y Salud Publica (CIBERESP) (Spain); Instituto de Salud Publica de Navarra, 31003 Pamplona (Spain); Dolores Chirlaque, M. [CIBER Epidemiologia y Salud Publica (CIBERESP) (Spain); Consejeria de Sanidad, 3008 Murcia (Spain); Dorronsoro, Miren [CIBER Epidemiologia y Salud Publica (CIBERESP) (Spain); Direccion de Salud de Guipuzcoa, 20013 San Sebastian (Spain); Jakszyn, Paula [Unit of Nutrition, Environment, and Cancer, Cancer Epidemiology Research Program, Catalan Institute of Oncology (ICO), IDIBELL, Av. Gran Via no 199-203, 08907 L' Hospitalet de Llobregat (Spain); Larranaga, Nerea [CIBER Epidemiologia y Salud Publica (CIBERESP) (Spain); Direccion de Salud de Guipuzcoa, 20013 San Sebastian (Spain); Martinez, Carmen [CIBER Epidemiologia y Salud Publica (CIBERESP) (Spain); Escuela Andaluza de Salud Publica, 18080 Granada (Spain); Navarro, Carmen [CIBER Epidemiologia y Salud Publica (CIBERESP) (Spain); Consejeria de Sanidad, 3008 Murcia (Spain); Rodriguez, Laudina [Consejeria de Salud y Servicios Sanitarios de Asturias, 33001 Oviedo (Spain); and others

    2009-07-15

    Background: Polychlorinated biphenyls (PCBs) are persistent compounds that may pose an environmental hazard to humans, food being the main source of exposure for the general population. Objective: To measure the serum concentrations of the main PCBs in subjects from the general population in Spain, and to assess potential determinants of such concentrations. Methods: Serum was obtained from blood samples of 953 subjects aged 35-64 years, residents in five Spanish regions (three from the North and two from the South), randomly selected from the EPIC-Spain cohort. Blood collection took place during 1992-1996 and four PCB congeners (118, 138, 153 and 180) were determined by means of gas chromatography with electron-capture detection (GC-ECD). Results: The concentration of total PCBs was 459 ng/g lipids (or 3.1 {mu}g/l); the corresponding figures for PCB 153 were 186 ng/g lipids and 1.25 {mu}g/l. Men had higher values than women, PCB levels increased with age, and serum concentration of PCBs was higher in northern regions. Body mass index (BMI) was inversely related to PCB concentrations, and fish intake was the dietary factor showing the greatest association with serum PCBs. The pattern described was similar for each congener separately. Conclusions: We found concentrations similar to those reported in European countries where blood collection was carried during the same period. Regional differences within Spain are not fully explained by anthropometric or dietary factors. The inverse association with BMI suggests that in the mid-1990s there was still ongoing or recent exposure to PCBs in Spain.

  18. Solid-state fluorescence property and crystal structure of biphenyl derivatives with carboxyl and n-alkyl groups

    Energy Technology Data Exchange (ETDEWEB)

    Imai, Yoshitane, E-mail: y-imai@apch.kindai.ac.j [Department of Applied Chemistry, Faculty of Science and Engineering, Kinki University, 3-4-1 Kowakae, Higashi-Osaka, Osaka 577-8502 (Japan); Kamon, Kensaku [Department of Applied Chemistry, Faculty of Science and Engineering, Kinki University, 3-4-1 Kowakae, Higashi-Osaka, Osaka 577-8502 (Japan); Tajima, Nobuo [First-Principles Simulation Group, Computational Materials Science Center, NIMS, Sengen, Tsukuba, Ibaraki 305-0047 (Japan); Kinuta, Takafumi [Department of Applied Chemistry, Faculty of Science and Engineering, Kinki University, 3-4-1 Kowakae, Higashi-Osaka, Osaka 577-8502 (Japan); Sato, Tomohiro [JST ERATO-SORST Kuroda Chiromorphology Team, 4-7-6 Komaba, Meguro-ku, Tokyo 153-0041 (Japan); Kuroda, Reiko [JST ERATO-SORST Kuroda Chiromorphology Team, 4-7-6 Komaba, Meguro-ku, Tokyo 153-0041 (Japan); Department of Life Sciences, Graduate School of Arts and Sciences, University of Tokyo, 3-8-1 Komaba, Meguro-ku, Tokyo 153-8902 (Japan); Matsubara, Yoshio, E-mail: y-matsu@apch.kindai.ac.j [Department of Applied Chemistry, Faculty of Science and Engineering, Kinki University, 3-4-1 Kowakae, Higashi-Osaka, Osaka 577-8502 (Japan)

    2010-06-15

    By introducing carboxyl and n-alkyl groups into a biphenyl molecule, we can increase the photoluminescence quantum yields of biphenyl derivatives in the solid state. The solid-state fluorescence maxima (lambda{sub em}) of 4-biphenylcarboxylic acid derivatives change according to the n-alkyl group introduced.

  19. Spermaturia and serum hormone concentrations at the age of puberty in boys prenatally exposed to polychlorinated biphenyls

    DEFF Research Database (Denmark)

    Mol, Nanette M; Sørensen, Nicolina; Weihe, Pal;

    2002-01-01

    To determine whether prenatal exposure to polychlorinated biphenyls (PCBs) with possible hormone-disrupting effects is capable of affecting sexual differentiation in boys at the age of puberty.......To determine whether prenatal exposure to polychlorinated biphenyls (PCBs) with possible hormone-disrupting effects is capable of affecting sexual differentiation in boys at the age of puberty....

  20. Molecular Descriptors Family on Structure Activity Relationships 6. Octanol-Water Partition Coefficient of Polychlorinated Biphenyls

    Directory of Open Access Journals (Sweden)

    Lorentz JÄNTSCHI

    2006-01-01

    Full Text Available Octanol-water partition coefficient of two hundred and six polychlorinated biphenyls was model by the use of an original method based on complex information obtained from compounds structure. The regression analysis shows that best results are obtained in four-varied model (r2 = 0.9168. The prediction ability of the model was studied through leave-one-out analysis (r2cv(loo = 0.9093 and in training and test sets analysis. Modeling the octanol-water partition coefficient of polychlorinated biphenyls by integration of complex structural information provide a stable and performing four-varied model, allowing us to make remarks about relationship between structure of polychlorinated biphenyls and associated octanol-water partition coefficients.

  1. 2,2,6,6-Tetrakis(biphenyl-2-yl-4,4,8,8-tetramethylcyclotetrasiloxane

    Directory of Open Access Journals (Sweden)

    Erik P. A. Couzijn

    2009-09-01

    Full Text Available The title compound, [–Si(C12H92OSi(CH32O–]2, was obtained unintentionally as the product of an attempted crystallization of caesium bis(biphenyl-2,2′-diylfluorosilicate from dimethylformamide. In the crystal, the molecule is located on an inversion center and the siloxane ring adopts a twist-chair conformation with the two dimethyl-substituted Si atoms lying 0.7081 (5 Å out of the plane defined by the two bis(biphenyl-2-yl-substituted Si atoms and the four O atoms. In each Si(C12H92 unit, the orientation of one terminal phenyl ring relative to the phenylene ring of the other biphenyl moiety suggests a parallel displaced π–π stacking interaction [centroid distance = 4.2377 (11 Å and dihedral angle = 15.40 (9°].

  2. Polypharmacology of dopamine receptor ligands.

    Science.gov (United States)

    Butini, S; Nikolic, K; Kassel, S; Brückmann, H; Filipic, S; Agbaba, D; Gemma, S; Brogi, S; Brindisi, M; Campiani, G; Stark, H

    2016-07-01

    Most neurological diseases have a multifactorial nature and the number of molecular mechanisms discovered as underpinning these diseases is continuously evolving. The old concept of developing selective agents for a single target does not fit with the medical need of most neurological diseases. The development of designed multiple ligands holds great promises and appears as the next step in drug development for the treatment of these multifactorial diseases. Dopamine and its five receptor subtypes are intimately involved in numerous neurological disorders. Dopamine receptor ligands display a high degree of cross interactions with many other targets including G-protein coupled receptors, transporters, enzymes and ion channels. For brain disorders like Parkinsońs disease, schizophrenia and depression the dopaminergic system, being intertwined with many other signaling systems, plays a key role in pathogenesis and therapy. The concept of designed multiple ligands and polypharmacology, which perfectly meets the therapeutic needs for these brain disorders, is herein discussed as a general ligand-based concept while focusing on dopaminergic agents and receptor subtypes in particular. PMID:27234980

  3. Long-time measurements of polychlorinated dibenzodioxins (PCDD), dibenzofurans (PCDF) and biphenyls (PCB) in deposition

    International Nuclear Information System (INIS)

    Dioxins, furans and polychlorinated biphenyls from one and the same sample were first separated by chromatography, then determined by mass spectroscopy. Sampling was in accordance with VDI method No. 2119, sheet 2, for the measurement of particulate precipitations. The annual means of PCDD/PCDF deposition ranged from 10 to 83 pg TE/(m2.d). The annual means of the deposition of polychlorinated biphenyls (tri and decachlorobiphenyls combined) varied between 23 and 257 ng/(m2.d). The annual mean for coplanar PCBs No. 77, 126 and 169 was less than 1 ng/(m2.d). (orig./DG)

  4. Crystallization of protein–ligand complexes

    International Nuclear Information System (INIS)

    Methods presented for growing protein–ligand complexes fall into the categories of co-expression of the protein with the ligands of interest, use of the ligands during protein purification, cocrystallization and soaking the ligands into existing crystals. Obtaining diffraction-quality crystals has long been a bottleneck in solving the three-dimensional structures of proteins. Often proteins may be stabilized when they are complexed with a substrate, nucleic acid, cofactor or small molecule. These ligands, on the other hand, have the potential to induce significant conformational changes to the protein and ab initio screening may be required to find a new crystal form. This paper presents an overview of strategies in the following areas for obtaining crystals of protein–ligand complexes: (i) co-expression of the protein with the ligands of interest, (ii) use of the ligands during protein purification, (iii) cocrystallization and (iv) soaks

  5. Foetal uptake of coplanar polychlorinated biphenyl (PCB) congeners in mice

    International Nuclear Information System (INIS)

    Earlier studies have shown that the Ah-receptor binding polychlorinated biphenyl (PCB) congener 3,3',4,4'-tetrachlorobiphenyl (IUPAC number CB-77) accumulated as hydroxy and methylsulphone metabolites in late gestational mice foetuses. In the present paper the foetal accumulation potential in mice of other dioxin-like PCB congeners was studied: 3,3'4,4',4-pentachlorobiphenyl, 3,3'4,4'5,5'-hexachlorobiphenyl and 2,3,3',4,4'-pentachlorobiphenyl (IUPAC numbers CB-126, CB-169, CB-105, to some extent dioxin-like) were compared to results of CB-77 (all congeners 14C-labelled and in equimolar doses (2.0 μmol/kg body wt.)). CB-77 resulted in the comparatively strongest foetal 14C-accumulation, when measured in plasma or whole body homogenate four days after administration (day 17 of pregnancy); the plasma 14C-values (calculated as pmol/g wet wt.) were 760, 130, 60 and 40 for CB-77, -126, 105 and -169, respectively, and the CB-77 derived radioactivity in the foetal compartment was 3.6% of administered dose (i.e. a considerable portion of the remaining maternal body radioactivity). Thin-layer chromatography (TLC) results, suggesting extensive CB-77 metabolism and foetal metabolite uptake, support earlier findings. The effects of CB-77 and CB-169 on foetal 7-ethoxyresorufin-O-deethylase (EROD) activities (day 17 of gestation; two days after 5 mg/kg body wt. dose (14.0-17.0 μmol/kg body wt.)) was about 20 times lower than of CB-126. In the dam, high radioactivity levels were observed int he liver and fat (highest concentrations found in CB-126 and CB-105, respectively). Strain comparison - foetal 14C-uptake (four days after administration of CB-77) in C57BL mice was almost five times higher than in NMRI - may be correlated to earlier observed differences in EROD activities between these strains. The present results indicate that congener and strain differences exist regarding both foetal and maternal distribution patterns of coplanar PCB congeners and point out the

  6. Plasma polychlorinated biphenyl concentrations and immune function in postmenopausal women

    Energy Technology Data Exchange (ETDEWEB)

    Spector, June T., E-mail: spectj@uw.edu [Department of Environmental and Occupational Health Sciences, School of Public Health, University of Washington, 4225 Roosevelt Way NE, Seattle, WA 98105 (United States); Department of Medicine, School of Medicine, University of Washington, Seattle, WA (United States); De Roos, Anneclaire J., E-mail: ajd335@drexel.edu [Epidemiology Program, Public Health Sciences Division, Fred Hutchinson Cancer Research Center, 1100 Fairview Avenue N, P.O. Box 19024, Seattle, WA 98109 (United States); Department of Epidemiology, School of Public Health, University of Washington, Seattle, WA (United States); Ulrich, Cornelia M., E-mail: neli.ulrich@nct-heidelberg.de [Department of Epidemiology, School of Public Health, University of Washington, Seattle, WA (United States); Cancer Prevention Program, Fred Hutchinson Cancer Research Center, 1100 Fairview Avenue N, P.O. Box 19024, Seattle, WA 98109 (United States); National Center for Tumor Diseases and German Cancer Research Center, Heidelberg (Germany); Sheppard, Lianne, E-mail: sheppard@uw.edu [Department of Environmental and Occupational Health Sciences, School of Public Health, University of Washington, 4225 Roosevelt Way NE, Seattle, WA 98105 (United States); Department of Biostatistics, School of Public Health, University of Washington, Seattle, WA (United States); Sjoedin, Andreas, E-mail: asjodin@cdc.gov [National Center for Environmental Health, CDC, 4770 Buford Highway NE, Atlanta, GA 30341 (United States); Wener, Mark H., E-mail: wener@u.washington.edu [Department of Medicine, School of Medicine, University of Washington, Seattle, WA (United States); Wood, Brent, E-mail: woodbl@u.washington.edu [Department of Medicine, School of Medicine, University of Washington, Seattle, WA (United States); and others

    2014-05-01

    Background: Polychlorinated biphenyl (PCB) exposure has been associated with non-Hodgkin lymphoma in several studies, and the immune system is a potential mediator. Objectives: We analyzed associations of plasma PCBs with immune function measures. We hypothesized that higher plasma PCB concentrations are associated with lower immune function cross-sectionally, and that increases in PCB concentrations over a one year period are associated with decreases in immune function. Methods: Plasma PCB concentrations and immune function [natural killer (NK) cell cytotoxicity and PHA-induced T-lymphocyte proliferation (PHA-TLP)] were measured at baseline and one year in 109 postmenopausal overweight women participating in an exercise intervention study in the Seattle, Washington (USA) area. Mixed models, with adjustment for body mass index and other potential confounders, were used to estimate associations of PCBs with immune function cross-sectionally and longitudinally. Results: Associations of PCBs with immune function measures differed across groups of PCBs (e.g., medium- and high-chlorinated and dioxin-like [mono-ortho-substituted]) and by the time frame for the comparison (cross-sectional vs. longitudinal). Higher concentrations of medium- and high-chlorinated PCBs were associated with higher PHA-TLP cross-sectionally but not longitudinally. The mean decrease in 0.5 µg/mL PHA-TLP/50.0 pmol/g-lipid increase in dioxin-like PCBs over one year was 51.6 (95% confidence interval 2.7, 100.5; P=0.039). There was no association between plasma PCBs and NK cytotoxicity. Conclusions: These results do not provide strong evidence of impaired cellular immunity from PCB exposure. Larger longitudinal studies with greater variability in PCB exposures are needed to further examine temporal associations of PCBs with immune function. - Highlights: • Plasma PCBs and immune function were measured in 109 women at baseline and one year. • Immune measures included T lymphocyte proliferation

  7. Lactational transfer of mercury and polychlorinated biphenyls in polar bears.

    Science.gov (United States)

    Knott, Katrina K; Boyd, Daryle; Ylitalo, Gina M; O'Hara, Todd M

    2012-07-01

    We examined concentrations of total mercury (tHg, inorganic and methylated forms) and polychlorinated biphenyls (PCBs) in blood and milk from free-ranging Southern Beaufort-Chukchi Sea polar bears (Ursus maritimus) to assess maternal transfer of contaminants during lactation and the potential health risk to nursing young. Concentrations of contaminants in the blood of dependent and juvenile animals (ages 1-5 years) ranged from 35.9 to 52.2 μg kg(-1) ww for tHg and 13.9 to 52.2 μg kg(-1) ww (3255.81-11067.79 μg kg(-1) lw) for ΣPCB(7)s, similar to those of adult females, but greater than adult males. Contaminant concentrations in milk ranged from 5.7 to 71.8 μg tHg kg(-1)ww and 160 to 690 μg ΣPCB(11)s kg(-1) ww (547-5190 μg kg(-1) lw). The daily intake levels for tHg by milk consumption estimated for dependent young were below the tolerable daily intake level (TDIL) of tHg established for adult humans. Although the daily intake levels of PCBs through milk consumption for cubs of the year exceeded the TDIL thresholds, calculated dioxin equivalents for PCBs in milk were below adverse physiological thresholds for aquatic mammals. Relatively high concentrations of non-dioxin like PCBs in polar bear milk and blood could impact endocrine function of Southern Beaufort-Chukchi Sea polar bears, but this is uncertain. Transfer of contaminants during mid to late lactation likely limits bioaccumulation of dietary contaminants in female polar bears during spring. As polar bears respond to changes in their arctic sea ice habitat, the adverse health impacts associated with nutritional stress may be exacerbated by tHg and PCBs exposure, especially in ecologically and toxicologically sensitive polar bear cohorts such as reproductive females and young. PMID:22464860

  8. Plasma polychlorinated biphenyl concentrations and immune function in postmenopausal women

    International Nuclear Information System (INIS)

    Background: Polychlorinated biphenyl (PCB) exposure has been associated with non-Hodgkin lymphoma in several studies, and the immune system is a potential mediator. Objectives: We analyzed associations of plasma PCBs with immune function measures. We hypothesized that higher plasma PCB concentrations are associated with lower immune function cross-sectionally, and that increases in PCB concentrations over a one year period are associated with decreases in immune function. Methods: Plasma PCB concentrations and immune function [natural killer (NK) cell cytotoxicity and PHA-induced T-lymphocyte proliferation (PHA-TLP)] were measured at baseline and one year in 109 postmenopausal overweight women participating in an exercise intervention study in the Seattle, Washington (USA) area. Mixed models, with adjustment for body mass index and other potential confounders, were used to estimate associations of PCBs with immune function cross-sectionally and longitudinally. Results: Associations of PCBs with immune function measures differed across groups of PCBs (e.g., medium- and high-chlorinated and dioxin-like [mono-ortho-substituted]) and by the time frame for the comparison (cross-sectional vs. longitudinal). Higher concentrations of medium- and high-chlorinated PCBs were associated with higher PHA-TLP cross-sectionally but not longitudinally. The mean decrease in 0.5 µg/mL PHA-TLP/50.0 pmol/g-lipid increase in dioxin-like PCBs over one year was 51.6 (95% confidence interval 2.7, 100.5; P=0.039). There was no association between plasma PCBs and NK cytotoxicity. Conclusions: These results do not provide strong evidence of impaired cellular immunity from PCB exposure. Larger longitudinal studies with greater variability in PCB exposures are needed to further examine temporal associations of PCBs with immune function. - Highlights: • Plasma PCBs and immune function were measured in 109 women at baseline and one year. • Immune measures included T lymphocyte proliferation

  9. Crystal structures, fluorescent and magnetic properties of five new coordination polymers based on biphenyl-3,4′,5-tricarboxylic acid

    International Nuclear Information System (INIS)

    Five new coordination polymers, {[Cd3(bpt)2(DMF)2]·(H2O)2}n (1), [Cd(Hbpt)(bipy)0.5(H2O)]n (2), [Cd2(bpt)(phen)2Cl]n (3), {[Cu2(bpt)(phen)(μ2–OH)(H2O)]·(H2O)2}n (4) and {[Mn5(Hbpt)4(phen)4(μ2–OH)2(H2O)2]·(H2O)2(CH3CN)2}n (5) have been prepared through hydro(solvo)thermal reactions of H3bpt (H3bpt=biphenyl-3,4′,5-tricarboxylic acid) with different pyridyl-containing auxiliary ligands (bipy=4,4′-bipyridine and phen=1,10-phenanthroline). Compound 1 represents a 3D ladder-like framework composed of rod-shaped infinite chains. In 2, the bridging ligand bipy links binuclear cadmium ions to generate a 2D layer. Compound 3 features a 1D ladder structure and further linked by π–π stacking interaction to form a 3D supramolecular network. Compound 4 exhibits a binodal 3-connected net which features the Schlafli symbol of (4·82). Compound 5 contains trimetallic cluster and binuclear unite which are further linked by Hbpt ligand to form a 2D layer. Moreover, photoluminescent properties of compounds 1–3 were studied in the solid state. Magnetic susceptibility measurements indicate that compound 4 exhibits ferromagnetic exchange interactions, whereas compound 5 displays antiferromagnetic exchange interactions. - Graphical abstract: Five new coordination polymers have been prepared through reactions of H3bpt with different pyridyl-containing auxiliary ligands. The bpt exhibits four new kinds of coordination modes with “V or Y shape”. Highlights: ► 1 represents a unique (4·8)-connected network with a Schlafli symbol (46)(412·612·84). ► Compound 4 shows ferromagnetic interaction between the dimeric Cu2+ units. ► The bpt ligand exhibits four new kinds of coordination modes with “V or Y shape”.

  10. Concise syntheses of tridentate PNE ligands and their coordination chemistry with palladium(II) : a solution- and solid-state study.

    Science.gov (United States)

    Anderson, Carly E; Apperley, David C; Batsanov, Andrei S; Dyer, Philip W; Howard, Judith A K

    2006-09-14

    A straightforward methodology for the high-yielding synthesis of the di-functionalised phosphines {Ph2P(CH2)2NC4H8E, E = NMe (1), O (2), S (3)}via base-catalysed Michael addition is described. Reaction of the functionalised tertiary phosphines 1-3 with PdCl2(MeCN)2 affords complexes in which the ligands are bound in a tridentate fashion, namely [PdCl(kappa3-PNE)]Cl (6a, 8) as the predominant products. A kappa2-PN coordination mode was also identified crystallographically for ligand following its reaction with PdCl2(MeCN)2, which afforded [PdCl2(-kappa2-PN)] (6b) in ca. 5% yield. Conductivity studies of solutions of 6a are consistent with an ionic formulation, however the poor solubility of and precluded their study in a similar fashion. Analysis of bulk samples of [PdCl2(1)] (6) and [PdCl2(3)] (8) by 15N and 31P NMR spectroscopy in the solid state as consistent with exclusive tridentate binding of the PNE ligands. An X-ray crystallographic study has probed the coordination of in the unusual salt [PdCl(-kappa3-PNN)]2[Mg(SO4)2(OH2)4] (10) prepared by treating a methanolic solution of with excess MgSO4. No data could be obtained to support the transformation of 6a into 6b on addition of excess chloride. In contrast, 6a reacts regioselectively with the water-soluble phosphine Cy2PCH2CH2NMe3Cl to afford the cis-diphosphine complex cis-[PdCl(Cy2PCH2CH2NMe3Cl)(1-kappa2-PN)]Cl2 (9). Reaction of 1 with PdCl(Me)(COD) results in the formation of the kappa2-PN dichloride complex [PdCl(Me)(1-kappa(2)-PN)] (11). Attempts to prepare [Pd(Me)(MeCN)(-kappa2-PN)][PF6] (12) through reaction of 11 with NaPF6 in MeCN led to decomposition. Treatment of PdMe2(TMEDA) with 1 at low temperature initially affords [PdMe2(1-kappa2-NN)], which isomerises to afford [PdMe(2)(1-kappa(2)-PN)] (13); at temperatures greater than 10 degrees C complex 13 decomposes rapidly. PMID:16924291

  11. Polychlorinated biphenyls (PCB)-degrading bacteria associated with the trees in a PCB-contaminated site

    Czech Academy of Sciences Publication Activity Database

    Leigh, M. B.; Prouzová, P.; Macková, Martina; Macek, Tomáš; Nagle, D. P.; Fletcher, J. S.

    2006-01-01

    Roč. 72, č. 4 (2006), s. 2331-2342. ISSN 0099-2240 R&D Projects: GA ČR GA203/06/0563 Institutional research plan: CEZ:AV0Z40550506 Keywords : polychlorinated biphenyl Subject RIV: DK - Soil Contamination ; De-contamination incl. Pesticides Impact factor: 3.532, year: 2006

  12. Preparation of plants containing bacterial enzyme for degradation of polychlorinated biphenyls

    Czech Academy of Sciences Publication Activity Database

    Francová, K.; Surá, M.; Macek, Tomáš; Szekeres, M.; Bancos, S.; Demnerová, K.; Sylvestre, M.; Macková, M.

    2003-01-01

    Roč. 12, č. 3 (2003), s. 309-313. ISSN 1018-4619 Institutional research plan: CEZ:AV0Z4055905 Keywords : transgenic plants * polychlorinated biphenyls * phytoremediation Subject RIV: DK - Soil Contamination ; De-contamination incl. Pesticides Impact factor: 0.325, year: 2003

  13. Genomic characterization of three unique Dehalococcoides that respire on persistent polychlorinated biphenyls

    OpenAIRE

    Wang, Shanquan; Chng, Kern Rei; Wilm, Andreas; Zhao, Siyan; Yang, Kun-Lin; Nagarajan, Niranjan; HE, Jianzhong

    2014-01-01

    Polychlorinated biphenyls (PCBs) as persistent organic pollutants are widespread in the sediments of lakes, rivers, and harbors. Although the PCB detoxification through microbial reductive dechlorination has been extensively studied for more than 20 y, the difficulty in cultivating PCB dechlorinators in pure culture impedes further characterization, optimization, and application in in situ bioremediation. By combining traditional culture techniques with next-generation sequencing technology, ...

  14. Commentary on Polychlorinated Biphenyls (PCBs), Toxins, and Neuropsychological Deficits: Good Science is the Antidote

    Science.gov (United States)

    Hebben, Nancy

    2004-01-01

    The seven cohort studies of the relation between prenatal and postnatal exposure to polychlorinated biphenyls (PCBs) to cognitive, neuropsychological and behavioral development have suggested that exposure to PCBs can cause persistent changes in cognitive functioning. D.V. Cicchetti, A.S. Kaufman, and S.S. Sparrow (this issue) apply six scientific…

  15. A method for the chemical modification of polychlorinated biphenyls for improved affinity towards noble metal surfaces

    DEFF Research Database (Denmark)

    2015-01-01

    The present application discloses a method for the modification and analysis of a field sample suspected of containing contaminant(s) like polychlorinated biphenyls (PCBs). The invention also relates to a corresponding kit for the modification of samples suspected of containing such contaminant(s)....

  16. Contamination of free-range chicken eggs with dioxins and dioxin-like polychlorinated biphenyls

    NARCIS (Netherlands)

    Schoeters, G.; Hoogenboom, L.A.P.

    2006-01-01

    Dioxins and dioxin-like (DL) polychlorinated biphenyls (PCB) are persistent organic pollutants that enter the body mainly by food intake. A small margin exists between current exposure levels in the human population and the levels causing biological effects. Therefore, stringent control of concentra

  17. Polychlorinated biphenyls-induced alterations of thyroid hormone homeostasis and brain development in the rat.

    NARCIS (Netherlands)

    Morse, D.C.

    1995-01-01

    IntroductionThe work described in this thesis was undertaken to gain insight in the processes involved in the developmental neurotoxicity of polychlorinated biphenyls. It has been previously hypothesized that the alteration of thyroid hormone status by PCBs may be in part responsibl

  18. Synthesis and properties of a new diarylethene having thiazole and biphenyl moieties

    International Nuclear Information System (INIS)

    A novel photochromic diarylethene bearing thiazole and biphenyl moieties has been synthesized. Its properties, including photochromism and fluorescence were investigated in detail. It underwent reversible cyclization and cycloreversion reactions upon alternating irradiation with UV and visible light in hexane. The results showed that this compound exhibited reversible photochromism and good fluorescent switching in solution after irradiation with UV light and visible light.

  19. Synthesis and properties of a new diarylethene having thiazole and biphenyl moieties

    Energy Technology Data Exchange (ETDEWEB)

    Li Hui; Pu Shouzhi; Liu Gang; Liu Weijun, E-mail: pushouzhi@tsinghua.org.cn [Jiangxi Key Laboratory of Organic Chemistry, Jiangxi Science and Technology Normal University, Nanchang 330013 (China)

    2011-02-01

    A novel photochromic diarylethene bearing thiazole and biphenyl moieties has been synthesized. Its properties, including photochromism and fluorescence were investigated in detail. It underwent reversible cyclization and cycloreversion reactions upon alternating irradiation with UV and visible light in hexane. The results showed that this compound exhibited reversible photochromism and good fluorescent switching in solution after irradiation with UV light and visible light.

  20. Assessment of polychlorinated biphenyls and organochlorine pesticides in water samples from the Yamuna River

    OpenAIRE

    Bhupander Kumar; Satish Kumar Singh; Meenu Mishra; Sanjay Kumar; Chandra Shekhar Sharma

    2012-01-01

    Polychlorinated biphenyls (PCBs), hexachlorocyclohexane (HCH) and dichlorodiphenyltrichloroethane (DDT) are toxic, persistent and bioaccumulative long-range atmospheric transport pollutants. These are transported worldwide affecting remote regions far from their original sources, and can transfer into food webs with a wide range of acute and chronic health effects. India ratified the Stockholm Convention with the intention of reducing and eliminating persistent organic pollutants (POPs), and ...

  1. An efficient synthesis, X-ray and spectral characterization of biphenyl derivatives

    Indian Academy of Sciences (India)

    Ravindra R Kamble; Dharesh B Biradar; Gangadhar Y Meti; Tasneem Taj; Tegginamath Gireesh; Imthiyaz Ahmed M Khazi; Sundar T Vaidyanathan; Raju Mohandoss; Balasubramanian Sridhar; Viraraghav Parthasarathi

    2011-07-01

    Derivatives of 1,3-thiazolidin-2,4-dione appended to biphenyl ring viz., 7-9, 16-18 were prepared. The newly synthesized compounds were confirmed by IR, NMR (1H and 13C) MS and elemental analyses. Single crystal X-ray diffraction study was carried out for one of the final compounds 9.

  2. Immunologic effects of background exposure to polychlorinated biphenyls and dioxins in Dutch preschool children

    NARCIS (Netherlands)

    Weisglas-Kuperus, N; Patandin, S; Berbers, GAM; Sas, TCJ; Mulder, PGH; Sauer, PJJ; Hooijkaas, H

    2000-01-01

    Prenatal exposure to polychlorinated biphenyls (PCBs) and dioxins is associated with changes in the T-cell lymphocyte population in healthy Dutch infants. We investigated whether these changes persist into later childhood and whether background exposure to PCBs and dioxins is associated with the pre

  3. Modelling the impact of room temperature on concentrations of polychlorinated biphenyls (PCBs) in indoor air

    DEFF Research Database (Denmark)

    Lyng, Nadja; Clausen, Per Axel; Lundsgaard, Claus;

    2016-01-01

    Buildings contaminated with polychlorinated biphenyls (PCBs) are a health concern for the building occupants. Inhalation exposure is linked to indoor air concentrations of PCBs, which are known to be affected by indoor temperatures. In this study, a highly PCB contaminated room was heated to six...

  4. Ligand chain length conveys thermochromism.

    Science.gov (United States)

    Ganguly, Mainak; Panigrahi, Sudipa; Chandrakumar, K R S; Sasmal, Anup Kumar; Pal, Anjali; Pal, Tarasankar

    2014-08-14

    Thermochromic properties of a series of non-ionic copper compounds have been reported. Herein, we demonstrate that Cu(II) ion with straight-chain primary amine (A) and alpha-linolenic (fatty acid, AL) co-jointly exhibit thermochromic properties. In the current case, we determined that thermochromism becomes ligand chain length-dependent and at least one of the ligands (A or AL) must be long chain. Thermochromism is attributed to a balanced competition between the fatty acids and amines for the copper(II) centre. The structure-property relationship of the non-ionic copper compounds Cu(AL)2(A)2 has been substantiated by various physical measurements along with detailed theoretical studies based on time-dependent density functional theory. It is presumed from our results that the compound would be a useful material for temperature-sensor applications. PMID:24943491

  5. Presentation of Ligands on Hydroxylapatite

    Science.gov (United States)

    Chu, Barbara C. F.; Orgel, Leslie E.

    1997-01-01

    Conjugates of biotin with the decamer of glutamic acid (glu(sub 10)) and the trimer of D,L-2-amino-5-phosphonovaleric acid (I) have been synthesized, and it has been shown that they mediate the binding of avidin to hydroxylapatite. In a similar way a conjugate of methotrexate with glu(sub 10) mediates the binding of dihydrofolate reductase to the mineral. The presentation of ligands on the hydroxylapatite component of bone may find applications in clinical medicine.

  6. Privileged chiral ligands and catalysts

    CERN Document Server

    Zhou, Qi-Lin

    2011-01-01

    This ultimate ""must have"" and long awaited reference for every chemist working in the field of asymmetric catalysis starts with the core structure of the catalysts, explaining why a certain ligand or catalyst is so successful. It describes in detail the history, the basic structural characteristics, and the applications of these ""privileged catalysts"". A novel concept that gives readers a much deeper insight into the topic.

  7. Tumor targeting via integrin ligands

    Directory of Open Access Journals (Sweden)

    HorstKessler

    2013-08-01

    Full Text Available Selective and targeted delivery of drugs to tumors is a major challenge for an effective cancer therapy and also to overcome the side effects associated with current treatments. Overexpression of various receptors on tumor cells is a characteristic structural and biochemical aspect of tumors and distinguishes them from physiologically normal cells. This abnormal feature is therefore suitable for selectively directing anticancer molecules to tumors by using ligands that can preferentially recognize such receptors. Several subtypes of integrin receptors that are crucial for cell adhesion, cell signaling, cell viability and motility have been shown to have an upregulated expression on cancer cells. Thus, ligands that recognize specific integrin subtypes represent excellent candidates to be conjugated to drugs or drug carrier systems and be targeted to tumors. In this regard, integrins recognizing the RGD cell adhesive sequence have been extensively targeted for tumor specific drug delivery. Here we review key recent examples on the presentation of RGD-based integrin ligands by means of distinct drug delivery systems, and discuss the prospects of such therapies to specifically target tumor cells.

  8. Radioiodinated ligands for dopamine receptors

    International Nuclear Information System (INIS)

    The dopamine receptor system is important for normal brain function; it is also the apparent action site for various neuroleptic drugs for the treatment of schizophrenia and other metal disorders. In the past few years radioiodinated ligands for single photon emission tomography (SPECT) have been successfully developed and tested in humans: [123I]TISCH for D1 dopamine receptors; [123I]IBZM, epidepride, IBF and FIDA2, four iodobenzamide derivatives, for D2/D3 dopamine receptors. In addition, [123I]β-CIT (RTI-55) and IPT, cocaine derivatives, for the dopamine reuptake site are potentially useful for diagnosis of loss of dopamine neurons. The first iodinated ligand, (R)trans-7-OH-PIPAT, for D3 dopamine receptors, was synthesized and characterized with cloned cell lines (Spodoptera frugiperda, Sf9) expressing the D2 and D3 dopamine receptors and with rat basal forebrain membrane preparations. Most of the known iodobenzamides displayed similar potency in binding to both D2 and D3 dopamine receptors expressed in the cell lines. Initial studies appear to suggest that by fine tuning the structures it may be possible to develop agents specific for D2 and D3 dopamine receptors. It is important to investigate D2/D3 selectivity for this series of potent ligands

  9. Ligand placement based on prior structures: the guided ligand-replacement method

    Energy Technology Data Exchange (ETDEWEB)

    Klei, Herbert E. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Bristol-Myers Squibb, Princeton, NJ 08543-4000 (United States); Moriarty, Nigel W., E-mail: nwmoriarty@lbl.gov; Echols, Nathaniel [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); Terwilliger, Thomas C. [Los Alamos National Laboratory, Los Alamos, NM 87545-0001 (United States); Baldwin, Eric T. [Bristol-Myers Squibb, Princeton, NJ 08543-4000 (United States); Natural Discovery LLC, Princeton, NJ 08542-0096 (United States); Pokross, Matt; Posy, Shana [Bristol-Myers Squibb, Princeton, NJ 08543-4000 (United States); Adams, Paul D. [Lawrence Berkeley National Laboratory, Berkeley, CA 94720 (United States); University of California at Berkeley, Berkeley, CA 94720-1762 (United States)

    2014-01-01

    A new module, Guided Ligand Replacement (GLR), has been developed in Phenix to increase the ease and success rate of ligand placement when prior protein-ligand complexes are available. The process of iterative structure-based drug design involves the X-ray crystal structure determination of upwards of 100 ligands with the same general scaffold (i.e. chemotype) complexed with very similar, if not identical, protein targets. In conjunction with insights from computational models and assays, this collection of crystal structures is analyzed to improve potency, to achieve better selectivity and to reduce liabilities such as absorption, distribution, metabolism, excretion and toxicology. Current methods for modeling ligands into electron-density maps typically do not utilize information on how similar ligands bound in related structures. Even if the electron density is of sufficient quality and resolution to allow de novo placement, the process can take considerable time as the size, complexity and torsional degrees of freedom of the ligands increase. A new module, Guided Ligand Replacement (GLR), was developed in Phenix to increase the ease and success rate of ligand placement when prior protein–ligand complexes are available. At the heart of GLR is an algorithm based on graph theory that associates atoms in the target ligand with analogous atoms in the reference ligand. Based on this correspondence, a set of coordinates is generated for the target ligand. GLR is especially useful in two situations: (i) modeling a series of large, flexible, complicated or macrocyclic ligands in successive structures and (ii) modeling ligands as part of a refinement pipeline that can automatically select a reference structure. Even in those cases for which no reference structure is available, if there are multiple copies of the bound ligand per asymmetric unit GLR offers an efficient way to complete the model after the first ligand has been placed. In all of these applications, GLR

  10. Hybrid pseudomonads engineered by two-step homologous recombination acquire novel degradation abilities toward aromatics and polychlorinated biphenyls

    Energy Technology Data Exchange (ETDEWEB)

    Suenaga, Hikaru [National Institute of Advanced Industrial Science and Technology (AIST), Tsukuba (Japan). Bioproduction Research Inst.; Nonaka, Kazuhiko; Goto, Masatoshi [Kyushu Univ., Fukuoka (Japan). Dept. of Bioscience and Biotechnology; Fujihara, Hidehiko; Furukawa, Kensuke [Beppu Univ. (Japan). Dept. of Fermentation and Food Science

    2010-10-15

    Pseudomonas pseudoalcaligenes KF707 possesses a chromosomally encoded bph gene cluster responsible for the catabolism of biphenyl and polychlorinated biphenyls. Previously, we constructed chimeric versions of the bphA1 gene, which encodes a large subunit of biphenyl dioxygenase, by using DNA shuffling between bphA1 genes from P. pseudoalcaligenes KF707 and Burkholderia xenovorans LB400. In this study, we demonstrate replacement of the bphA1 gene with chimeric bphA1 sequence within the chromosomal bph gene cluster by two-step homologous recombination. Notably, some of the hybrid strains acquired enhanced and/or expanded degradation capabilities for specific aromatic compounds, including single aromatic hydrocarbons and polychlorinated biphenyls. (orig.)

  11. Draft Genome Sequence of Polychlorinated Biphenyl-Dechlorinating Dehalococcoides mccartyi Strain SG1, Which Carries a Circular Putative Plasmid

    OpenAIRE

    Wang, Shanquan; Chng, Kern Rei; Wu, Chen; Wilm, Andreas; Nagarajan, Niranjan; HE, Jianzhong

    2014-01-01

    Dehalococcoides mccartyi strain SG1, isolated from digester sludge, dechlorinates polychlorinated biphenyls (PCBs) to lower congeners. Here we report the draft genome sequence of SG1, which carries a 22.65 kbp circular putative plasmid.

  12. Proof of concept for the use of macroinvertebrates as indicators of polychlorinated biphenyls (PCB) contamination in Lake Hartwell

    Science.gov (United States)

    The U.S. Environmental Protection Agency (EPA) has been conducting research to develop methods and tools for the evaluation of monitored natural recovery (MNR) of sediments contaminated with polychlorinated biphenyls (PCBs), polycyclic aromatic hydrocarbons (PAHs), and other lega...

  13. Mixed function oxidase dependent biotransformation of polychlorinated biphenyls by different species of fish from the North Sea

    DEFF Research Database (Denmark)

    Mehrtens, G.; Laturnus, F.

    1999-01-01

    Mixed function oxidase (MFO) dependent biotransformation of polychlorinated biphenyls (PCBs) was measured in three different fish species from the North Sea. Liver microsomes of plaice (Pleuronectes platessa), dab (Limanda limanda) and cod (Gadus morhua) were isolated and incubated with different...

  14. Environmental exposure to polychlorinated biphenyls (PCBs) and dioxins : Consequences for longterm neurological and cognitive development of the child lactation

    NARCIS (Netherlands)

    Boersma, ER; Lanting, Caren; Koletzko, B; Michaelsen, KF; Hernell, O

    2000-01-01

    Polychlorinated biphenyls (PCBs) and dioxins are environmental pollutants. Prenatally, as well as postnatally through breast feeding, large amounts are transferred from mother to the child. Formula is free of these substances. Considering their potential developmental neurotoxicity, we investigated

  15. Production of metabolites from chloro biphenyls by resting cells of Pseudomonas strain LB400 after growth on different carbon sources

    International Nuclear Information System (INIS)

    The transformation of polychlorinated biphenyl (PCB), when exposed to microorganisms, into chlorobenzoic acid metabolites was studied. PCBs are widely used in electrical transformers and have become widely dispersed in the environment. A proposed system for clean up of PCBs involves the combined use of anaerobic reductive dehalogenation of highly chlorinated congeners followed by aerobic degradation of moderately chlorinated PCBs, mediated by oxidative ring attack. Much of this work focused on biphenyl-grown cells, in particular Pseudomonas strain LB400 grown on biphenyl, which contains a multicomponent enzyme system. It was shown that resting cells of Pseudomonas strain LB400, grown on glycerol or glucose, could also transform purified PCB congeners and mixtures of PCBs in Aroclors, however, transformation rates were less than those observed with biphenyl-grown cells. 29 refs., 2 tabs., 2 figs

  16. Red Phosphorescent Bis-Cyclometalated Iridium Complexes with Fluorine-, Phenyl-, and Fluorophenyl-Substituted 2-Arylquinoline Ligands.

    Science.gov (United States)

    Kim, Jwajin; Lee, Kum Hee; Lee, Seok Jae; Lee, Ho Won; Kim, Young Kwan; Kim, Young Sik; Yoon, Seung Soo

    2016-03-14

    Red phosphorescent iridium(III) complexes based on fluorine-, phenyl-, and fluorophenyl-substituted 2-arylquinoline ligands were designed and synthesized. To investigate their electrophosphorescent properties, devices were fabricated with the following structure: indium tin oxide (ITO)/4,4',4''-tris[2-naphthyl(phenyl)amino]triphenylamine (2-TNATA)/4,4'-bis[N-(1-naphthyl)-N-phenylamino]biphenyl (NPB)/4,4'-bis(N-carbazolyl)-1,1'-biphenyl (CBP): 8 % iridium (III) complexes/bathocuproine (BCP)/tris(8-hydroxyquinolinato)aluminum (Alq3 )/8-hydroxyquinoline lithium (Liq)/Al. All devices, which use these materials showed efficient red emissions. In particular, a device exhibited a saturated red emission with a maximum luminance, external quantum efficiency, and luminous efficiency of 14200 cd m(-2) , 8.44 %, and 6.58 cd A(-1) at 20 mA cm(-2) , respectively. The CIE (x, y) coordinates of this device are (0.67, 0.33) at 12.0 V. PMID:26879000

  17. Rapid Detection of Polychlorinated Biphenyls at Trace Levels in Real Environmental Samples by Surface-Enhanced Raman Scattering

    OpenAIRE

    Zhengjun Zhang; Yu Huang; Zhengcao Li; Xian Zhang; Qin Zhou

    2011-01-01

    Detection of trace levels of persistent pollutants in the environment is difficult but significant. Organic pollutant homologues, due to their similar physical and chemical properties, are even more difficult to distinguish, especially in trace amounts. We report here a simple method to detect polychlorinated biphenyls (PCBs) in soil and distilled spirit samples by the surface-enhanced Raman scattering technique using Ag nanorod arrays as substrates. By this method, polychlorinated biphenyls ...

  18. Stimulation of contraction of pregnant rat uterus in vitro by non-dechlorinated and microbially dechlorinated mixtures of polychlorinated biphenyls.

    OpenAIRE

    BAE, J.; Mousa, M A; Quensen, J F; Boyd, S A; Loch-Caruso, R

    2001-01-01

    A previous study of six polychlorinated biphenyl (PCB) congeners showed that PCBs with four or fewer chlorines and ortho substitution stimulate uterine contraction frequency in vitro, whereas congeners with a greater number of chlorines or non-ortho substitution are inactive in vitro. We tested the hypothesis that PCB mixtures stimulate uterine contractions in a manner inversely related to the degree of chlorination and the presence of chlorines in the ortho- position of the biphenyl constitu...

  19. Ligand photo-isomerization triggers conformational changes in iGluR2 ligand binding domain.

    Directory of Open Access Journals (Sweden)

    Tino Wolter

    Full Text Available Neurological glutamate receptors bind a variety of artificial ligands, both agonistic and antagonistic, in addition to glutamate. Studying their small molecule binding properties increases our understanding of the central nervous system and a variety of associated pathologies. The large, oligomeric multidomain membrane protein contains a large and flexible ligand binding domains which undergoes large conformational changes upon binding different ligands. A recent application of glutamate receptors is their activation or inhibition via photo-switchable ligands, making them key systems in the emerging field of optochemical genetics. In this work, we present a theoretical study on the binding mode and complex stability of a novel photo-switchable ligand, ATA-3, which reversibly binds to glutamate receptors ligand binding domains (LBDs. We propose two possible binding modes for this ligand based on flexible ligand docking calculations and show one of them to be analogues to the binding mode of a similar ligand, 2-BnTetAMPA. In long MD simulations, it was observed that transitions between both binding poses involve breaking and reforming the T686-E402 protein hydrogen bond. Simulating the ligand photo-isomerization process shows that the two possible configurations of the ligand azo-group have markedly different complex stabilities and equilibrium binding modes. A strong but slow protein response is observed after ligand configuration changes. This provides a microscopic foundation for the observed difference in ligand activity upon light-switching.

  20. Ruthenium Cumulenylidene Complexes Bearing Heteroscorpionate Ligands

    OpenAIRE

    Strinitz, Frank

    2014-01-01

    In previous work of the BURZLAFF group, the design of suitable N,N,O ligands for a wide variety of applications ranging from catalysis to bioinorganic model compounds has been extensively investigated. Especially the methyl substituted bis(3,5-dimethylpyrazol-1-yl) acetate (bdmpza) ligand has shown manifold chemistry, comparable to the anionic cyclopentadienyl (Cp) and hydridotris(pyrazol-1-yl)borato (Tp) ligand. In the first part of this thesis the new tricarbonylmanganese(I) complexes be...

  1. Phenotypic spandrel: absolute discrimination and ligand antagonism

    OpenAIRE

    François, Paul; Johnson, Kyle A.; Saunders, Laura N.

    2015-01-01

    We consider the general problem of absolute discrimination between categories of ligands irrespective of their concentration. An instance of this problem is immune discrimination between self and not-self. We connect this problem to biochemical adaptation, and establish that ligand antagonism - the ability of sub threshold ligands to negatively impact response - is a necessary consequence of absolute discrimination.Thus antagonism constitutes a "phenotypic spandrel": a phenotype existing as a...

  2. Clinical Use of PPARγ Ligands in Cancer

    Directory of Open Access Journals (Sweden)

    Jennifer L. Hatton

    2008-01-01

    Full Text Available The role of PPARγ in adipocyte differentiation has fueled intense interest in the function of this steroid nuclear receptor for regulation of malignant cell growth and differentiation. Given the antiproliferative and differentiating effects of PPARγ ligands on liposarcoma cells, investigation of PPARγ expression and ligand activation in other solid tumors such as breast, colon, and prostate cancers ensued. The anticancer effects of PPARγ ligands in cell culture and rodent models of a multitude of tumor types suggest broad applicability of these agents to cancer therapy. This review focuses on the clinical use of PPARγ ligands, specifically the thiazolidinediones, for the treatment and prevention of cancer.

  3. Development of immobilized ligands for actinide separations

    International Nuclear Information System (INIS)

    Primary goals during this grant period were to (1) synthesize new bifunctional chelating ligands, (2) characterize the structural features of the Ln and An coordination complexes formed by these ligands, (3) use structural data to iteratively design new classes of multifunctional ligands, and (4) explore additional routes for attachment of key ligands to solid supports that could be useful for chromatographic separations. Some highlights of recently published work as well as a summary of submitted, unpublished and/or still in progress research are outlined

  4. Relationships of Polychlorinated Biphenyls and Dichlorodiphenyldichloroethylene (p,p’-DDE) with Testosterone Levels in Adolescent Males

    Science.gov (United States)

    Gallo, Mia V.; Deane, Glenn D.; Nelder, Kyrie R.; DeCaprio, Anthony P.; Jacobs, Agnes

    2013-01-01

    Background: Concern persists over endocrine-disrupting effects of persistent organic pollutants (POPs) on human growth and sexual maturation. Potential effects of toxicant exposures on testosterone levels during puberty are not well characterized. Objectives: In this study we evaluated the relationship between toxicants [polychlorinated biphenyls (PCBs), dichlorodiphenyldichloroethylene (p,p´-DDE), hexachlorobenzene (HCB), and lead] and testosterone levels among 127 Akwesasne Mohawk males 10 to DeCaprio AP, Jacobs A; Akwesasne Task Force on the Environment. 2014. Relationships of polychlorinated biphenyls and dichlorodiphenyldichloroethylene (p,p´-DDE) with testosterone levels in adolescent males. Environ Health Perspect 122:304–309; http://dx.doi.org/10.1289/ehp.1205984 PMID:24398050

  5. Studies on the transformation of selected polychlorinated biphenyl congeners by Pseudomonas strain LB 400

    International Nuclear Information System (INIS)

    Some of the main factors influencing the degradation of certain PCB congeners by resting cells of Pseudomonas strain LB 400 were characterized. The significance of the carbon source used for growth was studied by comparison of rates of PCB transformation by cells grown on biphenyl and other carbon sources. PCB transformation was studied in resting cells grown on glucose and glycerol. Supplementation of the degradation medium with biphenyl significantly decreased the rate of PCB congener transformation. The presence of glycerol or glucose did not affect PCB transformation rates. The study showed that in the treatment of contaminated soils, resting cells lose their viability and PCB transforming ability, such that, in the absence of a growth substrate, soil would have to be reinoculated to maintain PCB biodegradation. 15 refs., 2 tabs., 5 figs

  6. Polychlorinated Biphenyl-77 Induces Adipocyte Differentiation and Proinflammatory Adipokines and Promotes Obesity and Atherosclerosis

    OpenAIRE

    Arsenescu, Violeta; Arsenescu, Razvan I; King, Victoria; Swanson, Hollie; Cassis, Lisa A.

    2008-01-01

    Background Obesity, an inflammatory condition linked to cardiovascular disease, is associated with expansion of adipose tissue. Highly prevalent coplanar polychlorinated biphenyls (PCBs) such as 3,3′,4,4′-tetrachlorobiphenyl (PCB-77) accumulate in adipose tissue because of their lipophilicity and increase with obesity. However, the effects of PCBs on adipocytes, obesity, and obesity-associated cardiovascular disease are unknown. Objectives In this study we examined in vitro and in vivo effect...

  7. Metabolism of chlorobiphenyls by a variant biphenyl dioxygenase exhibiting enhanced activity toward dibenzofuran

    International Nuclear Information System (INIS)

    Highlights: ► Burkholderia xenovorans LB400 biphenyl dioxygenase (BphAELB400) metabolizes PCBs. ► Asn338Gln/Leu409Phe double mutation speeds up electron transfer of enzyme reaction. ► We tested how the mutations affect the PCB-degrading abilities of BphAELB400 variants. ► The same mutations also broaden the PCB substrate range of BphAELB400 variants. -- Abstract: The biphenyl dioxygenase of Burkholderia xenovorans LB400 (BphAELB400) catalyzes the dihydroxylation of biphenyl and of several polychlorinated biphenyls (PCBs) but it poorly oxidizes dibenzofuran. In this work we showed that BphAERR41, a variant which was previously found to metabolize dibenzofuran more efficiently than its parent BphAELB400, metabolized a broader range of PCBs than BphAELB400. Hence, BphAERR41 was able to metabolize 2,6,2′,6′-, 3,4,3′,5′- and 2,4,3′,4′-tetrachlorobiphenyl that BphAELB400 is unable to metabolize. BphAERR41 was obtained by changing Thr335Phe336Asn338Ile341Leu409 of BphAELB400 to Ala335Met336Gln338Val341Phe409. Site-directed mutagenesis was used to create combinations of each substitution, in order to assess their individual contributions. Data show that the same Asn338Glu/Leu409Phe substitution that enhanced the ability to metabolize dibenzofuran resulted in a broadening of the PCB substrates range of the enzyme. The role of these substitutions on regiospecificities toward selected PCBs is also discussed.

  8. Metabolism of chlorobiphenyls by a variant biphenyl dioxygenase exhibiting enhanced activity toward dibenzofuran

    Energy Technology Data Exchange (ETDEWEB)

    Viger, Jean-Francois; Mohammadi, Mahmood; Barriault, Diane [Institut National de la Recherche Scientifique, INRS-Institut Armand-Frappier, Laval, Quebec, Canada H4K 1C2 (Canada); Sylvestre, Michel, E-mail: Michel.Sylvestre@iaf.inrs.ca [Institut National de la Recherche Scientifique, INRS-Institut Armand-Frappier, Laval, Quebec, Canada H4K 1C2 (Canada)

    2012-03-09

    Highlights: Black-Right-Pointing-Pointer Burkholderia xenovorans LB400 biphenyl dioxygenase (BphAE{sub LB400}) metabolizes PCBs. Black-Right-Pointing-Pointer Asn338Gln/Leu409Phe double mutation speeds up electron transfer of enzyme reaction. Black-Right-Pointing-Pointer We tested how the mutations affect the PCB-degrading abilities of BphAE{sub LB400} variants. Black-Right-Pointing-Pointer The same mutations also broaden the PCB substrate range of BphAE{sub LB400} variants. -- Abstract: The biphenyl dioxygenase of Burkholderia xenovorans LB400 (BphAE{sub LB400}) catalyzes the dihydroxylation of biphenyl and of several polychlorinated biphenyls (PCBs) but it poorly oxidizes dibenzofuran. In this work we showed that BphAE{sub RR41}, a variant which was previously found to metabolize dibenzofuran more efficiently than its parent BphAE{sub LB400}, metabolized a broader range of PCBs than BphAE{sub LB400}. Hence, BphAE{sub RR41} was able to metabolize 2,6,2 Prime ,6 Prime -, 3,4,3 Prime ,5 Prime - and 2,4,3 Prime ,4 Prime -tetrachlorobiphenyl that BphAE{sub LB400} is unable to metabolize. BphAE{sub RR41} was obtained by changing Thr335Phe336Asn338Ile341Leu409 of BphAE{sub LB400} to Ala335Met336Gln338Val341Phe409. Site-directed mutagenesis was used to create combinations of each substitution, in order to assess their individual contributions. Data show that the same Asn338Glu/Leu409Phe substitution that enhanced the ability to metabolize dibenzofuran resulted in a broadening of the PCB substrates range of the enzyme. The role of these substitutions on regiospecificities toward selected PCBs is also discussed.

  9. Plasma Levels of Polychlorinated Biphenyls, Non-Hodgkin Lymphoma, and Causation

    OpenAIRE

    Kohles, Sean S.; Freeman, Michael D

    2012-01-01

    Polychlorinated biphenyls (PCBs) are synthetic chlorinated hydrocarbons that have extensively polluted the environment and bioaccumulated in the food chain. PCBs have been deemed to be probable carcinogens by the Environmental Protection Agency, and exposure to high levels of PCBs has been consistently linked to increased risk of non-Hodgkin lymphoma (NHL). In the present article we present a forensic epidemiologic evaluation of the causal relationship between NHL and elevated PCB levels via ...

  10. Ship-source pollution by polychlorinated biphenyls and brominated flame retardants

    OpenAIRE

    ČULIN, Jelena; Bielić, Toni

    2015-01-01

    Polychlorinated biphenyls (PCBs) and brominated flame retardants (BFRs) are groups of anthropogenic contaminants that have been routinely used in many applications for several decades. Prior to the discovery of their detrimental health effects and subsequent implementation of regulatory measures they were widely applied in shipbuilding. They are still found onboard active and inactive ships and pose a risk to human and environment. Therefore, it is important to continue to carry out preven...

  11. Effects of polychlorinated biphenyls on maternal odor conditioning in rat pups

    OpenAIRE

    Cromwell, Howard C.; Johnson, Asia; McKnight, Logan; Horinek, Maegan; Asbrock, Christina; Burt, Shannon; Jolous-Jamshidi, Banafsheh; Meserve, Lee A.

    2007-01-01

    Polychlorinated biphenyls (PCBs) are pervasive environmental contaminants that can have damaging effects on physiologic, motoric and cognitive function. Results from studies on PCBs and behavior have shown that exposure can alter learning and memory processes and that these shifts in cognitive abilities can be related to changes in hormonal and neural function. Little experimentation has been done on the impact of exposure to PCBs on social and emotional development. Previous work has shown t...

  12. Neurodevelopmental toxicity of prenatal polychlorinated biphenyls (PCBs) by chemical structure and activity: a birth cohort study

    OpenAIRE

    Park Hye-Youn; Hertz-Picciotto Irva; Sovcikova Eva; Kocan Anton; Drobna Beata; Trnovec Tomas

    2010-01-01

    Abstract Background Polychlorinated biphenyls (PCBs) are ubiquitous environmental toxins. Although there is growing evidence to support an association between PCBs and deficits of neurodevelopment, the specific mechanisms are not well understood. The potentially different roles of specific PCB groups defined by chemical structures or hormonal activities e.g., dioxin-like, non-dioxin like, or anti-estrogenic PCBs, remain unclear. Our objective was to examine the association between prenatal ex...

  13. Alteration of rat fetal cerebral cortex development after prenatal exposure to polychlorinated biphenyls

    OpenAIRE

    Naveau, Elise; Pinson, Anneline; GERARD, Arlette; Nguyen, Laurent; Charlier, Corinne; Thomé, Jean-Pierre; Zoeller, Robert Thomas; Bourguignon, Jean-Pierre; Parent, Anne-Simone

    2014-01-01

    Polychlorinated biphenyls (PCBs) are environmental contaminants that persist in environment and human tissues. Perinatal exposure to these endocrine disruptors causes cognitive deficits and learning disabilities in children. These effects may involve their ability to interfere with thyroid hormone (TH) action. We tested the hypothesis that developmental exposure to PCBs can concomitantly alter TH levels and TH-regulated events during cerebral cortex development: progenitor proliferation, cell...

  14. Polychlorinated Biphenyls and Leukocyte Telomere Length: An Analysis of NHANES 1999–2002

    OpenAIRE

    Franco Scinicariello; Buser, Melanie C.

    2015-01-01

    Polychlorinated biphenyls (PCBs) induce the expression of the proto-oncogene c-myc which has a role in cellular growth and proliferation programs. The c-myc up-regulates the telomerase reverse transcriptase which adds the telomeres repeating sequences to the chromosomal ends to compensate for the progressive loss of telomeric sequence. We performed multivariate linear regression to analyze the association of PCBs, polychlorinated dibenzo-p-dioxins, and 1,2,3,4,6,7,8-heptachlorodibenzofuran wi...

  15. Effects of Developmental Exposure to Polychlorinated Biphenyls and/or Polybrominated Diphenyl Ethers on Cochlear Function

    OpenAIRE

    Poon, Emily; Powers, Brian E.; McAlonan, Ruth M.; Ferguson, Duncan C.; Schantz, Susan L

    2011-01-01

    Developmental exposure to polychlorinated biphenyls (PCBs) causes hearing loss that may be due to reduced thyroxine during cochlear development. Polybrominated diphenyl ethers (PBDEs) are structurally similar to PCBs and reduce thyroxine. This study utilized an environmental PCB mixture and a commercial PBDE mixture, DE-71, that represents the PBDEs found in humans to assess the potential for additive effects of PCBs and PBDEs on cochlear function. Female Long-Evans rats were dosed with corn ...

  16. Tissue damage after acute intoxication by polychlorinated biphenyls (PCBs) in cockroaches Blattella germanica

    OpenAIRE

    Lambiase, S; Zhang, Y.; P. Morbini; M. Fasola

    2009-01-01

    It is common knowledge that polychlorinated biphenyls (PCBs) represent a serious threat to the health of both vertebrates and invertebrates. As far as the former are concerned, especially as regards human beings, a broad literature describes the direct and indirect effects induced by the PCBs on their systems and organs. Among invertebrates, the information available is mostly related to arthropods and is, however, very scarce. The aim of this work was to evaluate the effects of polychlorinat...

  17. A Preliminary Link between Hydroxylated Metabolites of Polychlorinated Biphenyls and Free Thyroxin in Humans

    OpenAIRE

    Eveline Dirinck; Dirtu, Alin C.; Govindan Malarvannan; Adrian Covaci; Jorens, Philippe G.; Van Gaal, Luc F.

    2016-01-01

    Background: Polychlorinated biphenyls (PCBs) and their hydroxylated metabolites (HO-PCBs) interfere with thyroid hormone action both in vitro and in vivo. However, epidemiologic studies on the link between PCB exposure and thyroid function have yielded discordant results, while very few data are available for HO-PCBs. Objectives: Our study aimed at investigating the relationship between clinically available markers of thyroid metabolism and serum levels of both PCBs and HO-PCBs. Subjects and ...

  18. Effects of Chinese domestic polychlorinated biphenyls (PCBs) on gonadal differentiation in Xenopus laevis.

    OpenAIRE

    Qin, Zhan-Fen; Zhou, Jing-Ming; Chu, Shao-Gang; Xu, Xiao-Bai

    2003-01-01

    To determine whether polychlorinated biphenyls (PCBs) influence gonadal differentiation in Xenopus laevis, tadpoles were exposed to two Chinese domestic PCBs (PCB3 and PCB5 from Nieuwkoop and Faber stage 46/47 to complete metamorphosis. Gonads were characterized using a dissecting microscope. The control X. laevis had normal ovaries or testes in gross morphology, whereas obviously abnormal testes including ovotestes were found in PCB3- and PCB5-exposed groups. Ovotestes were characterized by ...

  19. Prenatal Exposure to Polychlorinated Biphenyls and Postnatal Growth: A Structural Analysis

    OpenAIRE

    Lamb, Matthew R.; Taylor, Sylvia; Liu, Xinhua; Wolff, Mary S.; Borrell, Luisa; Matte, Thomas D; Susser, Ezra S.; Factor-Litvak, Pam

    2005-01-01

    Normal endocrine function in utero and early in childhood influences later height and weight attainment. Polychlorinated biphenyls (PCBs) are persistent environmental contaminants with suspected endocrine-disrupting properties. PCBs may mimic or inhibit hormone and endocrine processes based in part on their structural configuration, with non-ortho-substituted PCBs having a coplanar orientation and ortho-substituted PCBs becoming increasingly noncoplanar. Coplanar and noncoplanar PCBs have kno...

  20. Biomonitoring and Elimination of Perfluorinated Compounds and Polychlorinated Biphenyls through Perspiration: Blood, Urine, and Sweat Study

    OpenAIRE

    Stephen J. Genuis; Sanjay Beesoon; Detlef Birkholz

    2013-01-01

    Perfluorinated compounds (PFCs) are man-made organofluorine chemicals manufactured and marketed for their stain-resistant properties. Polychlorinated biphenyls (PCBs) are anthropogenic organochlorine compounds previously used in various industrial and chemical applications prior to being banned in the Western world in the 1970s. Both PFCs and PCBs are persistent contaminants within the human organism and both have been linked to adverse health sequelae. Data is lacking on effective means to f...

  1. Polychlorinated biphenyls fractioning assessment in aqueous bioremediation assy with phanerochaete chrysosporium

    OpenAIRE

    Sangely, Matthieu; Sablayrolles, Caroline; Vialle, Claire; Strehaiano, Pierre; Thannberger, Laurent; Vignoles, Mireille

    2009-01-01

    Thanks to growing environmental concerns in public opinion, bioremediation processes are more and more used to decontaminate soils from organic compounds. Polychlorinated biphenyls (PCBs) are known to be world wide spread persistent organic pollutants (POPs). The white rot fungus Phanerochaete chrysosporium is able to degrade PCBs in water, and soil As POPs, PCBs can also be adsorbed onto organic matter, such as Phanerochaete chrysosporium mycelium. This study aims at estimating the fractioni...

  2. Oculodermatological findings in workers with occupational exposure to polychlorinated biphenyls (PCBs).

    OpenAIRE

    Fischbein, A; Rizzo, J N; Solomon, S J; Wolff, M S

    1985-01-01

    Oculodermatological findings, such as hypersecretion of the Meibomian glands, swelling of the upper eyelids and hyperpigmentation of the conjunctivae are considered typical of "PCB poisoning." They were common clinical manifestations of yusho and yu-cheng, two epidemics in Japan and Taiwan caused by the ingestion of rice cooking oil contaminated with polychlorinated biphenyls (PCBs) and polychlorinated dibenzofurans. To investigate the prevalence of such abnormalities in a population with lon...

  3. Prenatal and postnatal exposure to polychlorinated biphenyls and child size at 24 months of age

    OpenAIRE

    Jackson, Leila W.; Lynch, Courtney D.; Kostyniak, Paul J.; McGuinness, Bridget M; Buck Louis, Germaine M.

    2009-01-01

    Research suggests that exposure to polychlorinated biphenyls (PCBs) may result in decreased child growth, though the critical window(s) are unclear. We investigated the association between PCBs and child size at age 24 months (n=44). PCBs were measured in 1st trimester serum, breast milk, and child serum at age 24 months, and dichotomized at the median. Age- and gender-specific z-scores were calculated for anthropometric measures. Using linear regression, we observed no significant changes in...

  4. Perinatal exposure to polychlorinated biphenyls and dioxins and its effect on neonatal neurological development

    OpenAIRE

    Huisman, Martijn; Koopman-Esseboom, Corine; Fidler, Vaclav; Hadders-Algra, Mijna; Paauw, Cornelis; Tuinstra, L.G.M.Th.; Weisglas-Kuperus, Nynke; Sauer, Pieter; Touwen, Bert C.; Boersma, Eric

    1995-01-01

    textabstractPolychlorinated biphenyls (PCBs) and dioxins (polychlorinated dibenzo-p-dioxins (PCDDs), and dibenzofurans (PCDFs)) are widespread environmental contaminants which are neurotoxic in animals. Perinatal exposure to PCBs, PCDDs, and PCDFs occurs prenatally via the placenta and postnatally via breast milk. To investigate whether such an exposure affects the neonatal neurological condition, the neurological optimality of 418 Dutch newborns was evaluated with the Prechtl neurological ex...

  5. Polychlorinated biphenyls and reproductive hormones in female polar bears at Svalbard.

    OpenAIRE

    Haave, Marte; Ropstad, Erik; Derocher, Andrew E; Lie, Elisabeth; Dahl, Ellen; Wiig, Øystein; Skaare, Janneche U; Jenssen, Bjørn Munro

    2003-01-01

    High concentrations of polychlorinated biphenyls (PCBs) in polar bears from Svalbard have increased concern for that population's reproductive health. We examined whether there were associations between the plasma concentrations of PCBs and reproductive hormones [progesterone (P4)] and 17 beta-estradiol (E2)] in free-living female polar bears from Svalbard. Concentrations of P4 depended on reproductive status, and concentrations were lowest in females with offspring--females with cubs and fem...

  6. Evaluating Health Risks from Inhaled Polychlorinated Biphenyls: Research Needs for Addressing Uncertainty

    OpenAIRE

    Lehmann, Geniece M.; Christensen, Krista; Maddaloni, Mark; Phillips, Linda J.

    2014-01-01

    Background: Indoor air concentrations of polychlorinated biphenyls (PCBs) in some buildings are one or more orders of magnitude higher than background levels. In response to this, efforts have been made to assess the potential health risk posed by inhaled PCBs. These efforts are hindered by uncertainties related to the characterization and assessment of source, exposure, and exposure-response. Objectives: We briefly describe some common sources of PCBs in indoor air and estimate the contribut...

  7. Rhizospere Redox Cycling and Implications for Rhizosphere Biotransformation of Selected Polychlorinated Biphenyl (PCB) Congeners

    OpenAIRE

    Meggo, Richard E.; Schnoor, Jerald L.

    2013-01-01

    Theoretically, sequential cycles of dechlorination followed by aerobic bio-oxidation are desirable to achieve complete degradation of a mixture of higher and lower chlorinated PCBs. In this research, soil was artificially contaminated with polychlorinated biphenyls (PCBs) in mixture and as single congeners, aged, and planted with two different plant species. Alternating redox cycles were created in the root zone of plants by flooding and draining the soil. Over 32 weeks, switchgrass (Panicum ...

  8. Polychlorinated biphenyls-induced alterations of thyroid hormone homeostasis and brain development in the rat.

    OpenAIRE

    Morse, D.C.

    1995-01-01

    IntroductionThe work described in this thesis was undertaken to gain insight in the processes involved in the developmental neurotoxicity of polychlorinated biphenyls. It has been previously hypothesized that the alteration of thyroid hormone status by PCBs may be in part responsible for the developmental neurotoxicity of these compounds in humans (Rogan et al. 1986). This is a logical hypothesis, given the well-described effects of PCBs on plasma thyroid hormone levels in adult animals, and ...

  9. Stimulatory effects of a microbially dechlorinated polychlorinated biphenyl (PCB) mixture on rat uterine contraction in vitro

    OpenAIRE

    Tsuneta, Taeko; Loch-Caruso, Rita; Quensen, John F.; Boyd, Stephen A.; Hanna, Mona; Grindatti, Carmen

    2008-01-01

    Microbially mediated reductive dechlorination has been advocated as the first part of a two-stage (anaerobic/aerobic) biotreatment process for polychlorinated biphenyls (PCBs) in sediments, and is generally viewed as a detoxication process. However, previous studies suggest that microbial dechlorination increases ability to stimulate uterine contractions compared with the original PCB mixtures. Here, we investigate the composition and uterotonic activity of the commercial PCB mixture Aroclor ...

  10. CONTAMINATION OF POLYCHLORINATED BIPHENYLS IN FISHES LEADING TO TOXICITY IN FISH CONSUMING POPULATION

    OpenAIRE

    Govind Pandey; Madhuri S.; A.B. Shrivastav

    2012-01-01

    The pollution of rivers and streams with chemical contaminants has become one of the most critical environmental problems. Similar to humans and other species of animals, fish have also been found to be polluted with a large number of pollutants/contaminants. Unintentionally added chemicals causing fish toxicity include organochlorine pesticides, polychlorinated biphenyls (PCBs) and other persistent chemicals in feed, chemicals in construction materials, and metabolites and degradation produc...

  11. Two anaerobic polychlorinated biphenyl-dehalogenating enrichments that exhibit different para-dechlorination specificities.

    OpenAIRE

    Wu, Q; Wiegel, J

    1997-01-01

    Two anaerobic polychlorinated biphenyl (PCB)-dechlorinating enrichments with distinct substrate specificities were obtained: a 2,3,4,6-tetrachlorobiphenyl (2346-CB) para-dechlorinating enrichment derived from Aroclor 1260-contaminated Woods Pond (Lenox, Mass.) sediment and a 2,4,6-trichlorobiphenyl (246-CB) unflanked para-dechlorinating enrichment derived from PCB-free Sandy Creek Nature Center (Athens, Ga.) sediment. The enrichments have been successfully transferred to autoclaved soil slurr...

  12. Potential for Polychlorinated Biphenyl Biodegradation in Sediments from Indiana Harbor and Ship Canal

    OpenAIRE

    Liang, Yi; Martinez, Andres; Hornbuckle, Keri C.; Mattes, Timothy E.

    2014-01-01

    Polychlorinated biphenyls (PCBs) are carcinogenic, persistent, and bioaccumulative contaminants that pose risks to human and environmental health. In this study, we evaluated the PCB biodegradation of sediments from Indiana Harbor and Ship Canal (IHSC), a PCB-contaminated site (average PCB concentration = 12,570 ng/g d.w.). PCB congener profiles and bacterial community structure in a core sediment sample (4.57 m long) were characterized. Analysis of vertical PCB congener profile patterns in s...

  13. Polychlorinated biphenyls in the surficial sediment of Indiana Harbor and Ship Canal, Lake Michigan

    OpenAIRE

    Martinez, Andres; Norström, Karin; Wang, Kai; Hornbuckle, Keri C.

    2009-01-01

    We report the results of the first intensive survey of polychlorinated biphenyls (PCBs) in the surficial sediment of the Indiana Harbor and Ship Canal (IHSC) in East Chicago, Indiana, a part of the Calumet River tributary of Lake Michigan that will be dredged to maintain depth for ship traffic. The tributary has previously been reported to be a large source of PCBs to Lake Michigan. PCB congeners were measured using tandem mass spectrometry in multiple reaction monitoring mode, a method that ...

  14. (Biphenyl-2-yl)bromidobis(2-methyl-tetra-hydro-furan-κO)magnesium(II).

    Science.gov (United States)

    Nordschild, Simon; Wohlgemuth, D; Bolte, Michael

    2009-01-01

    In the title Grignard reagent, [MgBr(C(12)H(9))(C(5)H(10)O)(2)], the Mg centre adopts a distorted tetra-hedral MgCO(2)Br arrangement. The dihedral angle between the two aromatic rings of the biphenyl residue is 44.00 (14)°. Each mol-ecule incorporates one R- and one S-configured 2-methyl-tetra-hydro-furan mol-ecule. PMID:21583743

  15. Plant compounds that induce polychlorinated biphenyl biodegradation by Arthrobacter sp. strain B1B.

    OpenAIRE

    Gilbert, E S; Crowley, D. E.

    1997-01-01

    Plant compounds that induced Arthrobacter sp. strain B1B to cometabolize polychlorinated biphenyls (PCBs) were identified by a screening assay based on the formation of a 4,4'-dichlorobiphenyl ring fission product. A chemical component of spearmint (Mentha spicata), l-carvone, induced Arthrobacter sp. strain B1B to cometabolize Aroclor 1242, resulting in significant degradation of 26 peaks in the mixture, including selected tetra- and pentachlorobiphenyls. Evidence for PCB biodegradation incl...

  16. Relationships of Polychlorinated Biphenyls and Dichlorodiphenyldichloroethylene (p,p’-DDE) with Testosterone Levels in Adolescent Males

    OpenAIRE

    Schell, Lawrence M.; Gallo, Mia V.; Deane, Glenn D.; Nelder, Kyrie R.; DeCaprio, Anthony P; Jacobs, Agnes; ,

    2013-01-01

    Background: Concern persists over endocrine-disrupting effects of persistent organic pollutants (POPs) on human growth and sexual maturation. Potential effects of toxicant exposures on testosterone levels during puberty are not well characterized. Objectives: In this study we evaluated the relationship between toxicants [polychlorinated biphenyls (PCBs), dichlorodiphenyldichloroethylene (p,p´-DDE), hexachlorobenzene (HCB), and lead] and testosterone levels among 127 Akwesasne Mohawk males 10 ...

  17. Polychlorinated biphenyls in serum of the Siberian Yupik people from St. Lawrence Island, Alaska

    OpenAIRE

    Carpenter, David O.; DeCaprio, Anthony P; O’Hehir, David; Akhtar, Farooq; Johnson, Glenn.; Scrudato, Ronald J.; Apatiki, Lucy; Kava, Jane; Gologergen, Jesse; Miller, Pamela K.; Eckstein, Lorraine

    2005-01-01

    Objectives. To determine serum levels of polychlorinated biphenyls (PCBs) in Siberian Yupik adults from St. Lawrence Island, Alaska, and to determine the relative contribution of atmospheric transport of PCBs and local contamination to body burdens. Study Design. Siberian Yupiks of various ages were recruited from three populations: residents of the village of Gambell, residents of the village of Savoonga who did not have family hunting camps near the Northeast Cape (NEC), a Formerly Used Def...

  18. Effect of Chemical Structure on the Isobaric and Isochoric Fragility in Polychlorinated Biphenyls

    OpenAIRE

    Roland, C. M.; Casalini, R.

    2005-01-01

    Pressure-volume-temperature data, along with dielectric relaxation measurements, are reported for a series of polychlorinated biphenyls (PCB), differing in the number of chlorine atoms on their phenyl rings. Analysis of the results reveals that with increasing chlorine content, the relaxation times of the PCB become governed to a greater degree by density, rho, relative to the effect of temperature, T. This result is consistent with the respective magnitudes of the scaling exponent, gamma, yi...

  19. Metabolomic Analysis of the Effects of Polychlorinated Biphenyls in Non-alcoholic Fatty Liver Disease

    OpenAIRE

    Shi, Xue; Wahlang, Banrida; Wei, Xiaoli; Yin, Xinmin; Falkner, K. Cameron; Prough, Russell A.; Kim, Seong Ho; Mueller, Eugene G.; McClain, Craig J.; Cave, Matthew; Zhang, Xiang

    2012-01-01

    Polychlorinated Biphenyls (PCBs) are persistent organic pollutants and have been associated with abnormal liver enzymes and suspected non-alcoholic fatty liver disease (NAFLD), obesity, and the metabolic syndrome in epidemiological studies. In epidemiological surveys of human PCB exposure, PCB 153 has the highest serum levels among PCB congeners. To determine the hepatic effects of PCB 153 in mice, C57BL/6J mice were fed either a control diet (CD) or a high fat diet (HFD) for 12 weeks, with o...

  20. Effects of polychlorinated biphenyls and environmental biotransformation products on aquatic nitrification.

    OpenAIRE

    Sayler, G S; Shiaris, M. P.; Beck, W.; Held, S.

    1982-01-01

    The effects of polychlorinated biphenyls (PCBs) on nitrification were examined for pure cultures and natural reservoir samples. PCBs at concentrations greater than 10 microgram liter-1 inhibited nitrification, principally ammonium oxidation, in one of two natural reservoir environments. However, this inhibition could not be reproduced in pure high-cell-density cultures or in previously contaminated reservoir waters. A PCB environmental biotransformation product, p-chlorophenylglyoxylic acid, ...

  1. Chlororganische Pestizide, polychlorierte Biphenyle und potentiell toxische Schwermetalle in Organproben von Seeadlern und Habichten

    OpenAIRE

    Kenntner, Norbert

    2010-01-01

    In the present study, we examined organs of 145 white-tailed eagles (Haliaeetus albicilla) from Germany and 5 specimen from Austria, as well as 62 northern goshawks (Accipiter gentilis) from different regions of Germany for their organ concentrations of chlorinated pesticides, polychlorinated biphenyls (PCB) and potentially toxic heavy metals. We proved a significant decline of DDT concentrations in livers of 127 white-tailed eagles (WTE) collected between 1990 and 2001. Considering the final...

  2. Field-derived Henry's law constants for polychlorinated biphenyls in oceanic waters

    OpenAIRE

    Gioia, Rosalinda; Dachs, Jordi; Lohmann, Rainer; Jones, Kevin C.; Nizzeto, Luca

    2010-01-01

    Accurate knowledge of Henry's law constants (Kaw) is very important for fate and transport studies of organic chemicals. Here field-derived Kaw values for polychlorinated biphenyl (PCB) congeners (PCBs 28, 49, 52, 118, 138, 149, and 153) were determined in the open Atlantic Ocean, at locations where air and seawater were assumed to be at equilibrium. Field-based Kaw values were derived from air and seawater samples simultaneously collected at these locations, and their relationship with tempe...

  3. Antiproliferative and pro-apoptotic activity of eugenol-related biphenyls on malignant melanoma cells

    Directory of Open Access Journals (Sweden)

    Dettori Maria

    2007-01-01

    Full Text Available Abstract Background Malignant melanoma is one of the most aggressive skin cancer and chemotherapeutic agents currently in use are still unsatisfactory. Prevention and early diagnosis are the only effective tools against this tumour whose incidence and mortality rates are highly increased during the last decades in fair skin populations. Therefore the search for novel therapeutic approaches is warranted. Aim of this work was to identify and test new compounds with antiproliferative and cytotoxic activity on melanoma cells. We tested eugenol together with six natural and synthetic eugenol-related compounds for their capability to inhibit cell growth on primary melanoma cell lines established from patients' tissue samples. Results Eugenol and isoeugenol monomers and their respective O-methylated forms did not show to inhibit melanoma cells proliferation. Conversely, the dimeric forms (biphenyls showed some antiproliferative activity which was mild for dehydrodieugenol, higher for its O,O'-methylated form (O,O'-dimethyl-dehydrodieugenol, and markedly pronounced for the racemic mixture of the brominated biphenyl (6,6'-dibromo-dehydrodieugenol (S7, being its enantiomeric form (S the most effective compared to the other compounds. Such activity resulted to be selective against tumour cells, without affecting cultured normal human skin fibroblasts. Dose and time dependence curves have been obtained for the enantiomeric form S7-(S. Then IC50 and minimal effective doses and times have been established for the melanoma cell lines tested. TUNEL and phosphatidylserine exposure assays demonstrated the occurrence of apoptotic events associated with the antiproliferative activity of S7-(S. Cytotoxic activity and apoptosis induced by treating melanoma cells with eugenol-related biphenyls was partially dependent by caspase activation. Conclusion Our findings demonstrate that the eugenol related biphenyl (S-6,6'-dibromo-dehydrodieugenol elicits specific

  4. Immunologic effects of background exposure to polychlorinated biphenyls and dioxins in Dutch preschool children.

    OpenAIRE

    Weisglas-Kuperus, Nynke; Patandin, Svati; Berbers, G A; Sas, Theo; Sauer, Pieter; Hooijkaas, Herbert; Mulder, Paul

    2000-01-01

    textabstractPrenatal exposure to polychlorinated biphenyls (PCBs) and dioxins is associated with changes in the T-cell lymphocyte population in healthy Dutch infants. We investigated whether these changes persist into later childhood and whether background exposure to PCBs and dioxins is associated with the prevalence of infectious or allergic diseases and humoral immunity at preschool age. The total study group consisted of 207 healthy mother-infant pairs. We estimated prenatal exposure to P...

  5. CLOSURE REPORT FOR CORRECTIVE ACTION UNIT 528: POLYCHLORINATED BIPHENYLS CONTAMINATION NEVADA TEST SITE, NEVADA

    Energy Technology Data Exchange (ETDEWEB)

    BECHTEL NEVADA

    2006-09-01

    This Closure Report (CR) describes the closure activities performed at CAU 528, Polychlorinated Biphenyls Contamination, as presented in the Nevada Division of Environmental Protection (NDEP)-approved Corrective Action Plan (CAP) (US. Department of Energy, National Nuclear Security Administration Nevada Site Office [NNSAINSO], 2005). The approved closure alternative was closure in place with administrative controls. This CR provides a summary of the completed closure activities, documentation of waste disposal, and analytical data to confirm that the remediation goals were met.

  6. Cometabolic oxidation of polychlorinated biphenyls in soil with a surfactant-based field application vector.

    OpenAIRE

    Lajoie, C. A.; Layton, A C; Sayler, G. S.

    1994-01-01

    Polychlorinated biphenyl (PCB)-degradative genes, under the control of a constitutive promoter, were cloned into a broad-host-range plasmid and a transposon. These constructs were inserted into a surfactant-utilizing strain, Pseudomonas putida IPL5, to create a field application vector (FAV) in which a surfactant-degrading organism cometabolizes PCB. By utilizing a surfactant not readily available to indigenous populations and a constitutive promoter, selective growth and PCB-degradative gene...

  7. Ligand-specific conformational changes in the alpha1 glycine receptor ligand-binding domain

    DEFF Research Database (Denmark)

    Pless, Stephan Alexander; Lynch, Joseph W

    2009-01-01

    residue responded differently to glycine and strychnine, thus underlining the importance of loop C in ligand discrimination. These results provide an important step toward mapping the domains crucial for ligand discrimination in the ligand-binding domain of glycine receptors and possibly other Cys loop...

  8. Anaerobic degradation of Polychlorinated Biphenyls (PCBs) and Polychlorinated Biphenyls Ethers (PBDEs), and microbial community dynamics of electronic waste-contaminated soil

    Energy Technology Data Exchange (ETDEWEB)

    Song, Mengke [Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Graduate University of Chinese Academy of Sciences, Beijing 100039 (China); Luo, Chunling, E-mail: clluo@gig.ac.cn [Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Li, Fangbai [Guangdong Institute of Eco-environmental and Soil Sciences, Guangzhou 510650 (China); Jiang, Longfei [Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); College of Life Sciences, Nanjing Agricultural University, Nanjing 210095 (China); Wang, Yan [Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China); Zhang, Dayi [Lancaster Environment Centre, Lancaster University, Lancaster LA1 4YQ (United Kingdom); Zhang, Gan [Guangzhou Institute of Geochemistry, Chinese Academy of Sciences, Guangzhou 510640 (China)

    2015-01-01

    Environmental contamination caused by electronic waste (e-waste) recycling is attracting increasing attention worldwide because of the threats posed to ecosystems and human safety. In the present study, we investigated the feasibility of in situ bioremediation of e-waste-contaminated soils. We found that, in the presence of lactate as an electron donor, higher halogenated congeners were converted to lower congeners via anaerobic halorespiration using ferrous ions in contaminated soil. The 16S rRNA gene sequences of terminal restriction fragments indicated that the three dominant strains were closely related to known dissimilatory iron-reducing bacteria (DIRB) and those able to perform dehalogenation upon respiration. The functional species performed the activities of ferrous oxidation to ferric ions and further ferrous reduction for dehalogenation. The present study links iron cycling to degradation of halogenated materials in natural e-waste-contaminated soil, and highlights the synergistic roles of soil bacteria and ferrous/ferric ion cycling in the dehalogenation of polychlorinated biphenyls (PCBs) and polybrominated biphenyl ethers (PBDEs). - Highlights: • The biodegradation PCBs and PBDEs in e-waste contaminated soils was studied. • DIRB and arylhalorespiring bacteria were responsive to dehalogenation respiration. • Soil bacteria and Fe ion cycling play synergistic roles in dehalogenation.

  9. Anaerobic degradation of Polychlorinated Biphenyls (PCBs) and Polychlorinated Biphenyls Ethers (PBDEs), and microbial community dynamics of electronic waste-contaminated soil

    International Nuclear Information System (INIS)

    Environmental contamination caused by electronic waste (e-waste) recycling is attracting increasing attention worldwide because of the threats posed to ecosystems and human safety. In the present study, we investigated the feasibility of in situ bioremediation of e-waste-contaminated soils. We found that, in the presence of lactate as an electron donor, higher halogenated congeners were converted to lower congeners via anaerobic halorespiration using ferrous ions in contaminated soil. The 16S rRNA gene sequences of terminal restriction fragments indicated that the three dominant strains were closely related to known dissimilatory iron-reducing bacteria (DIRB) and those able to perform dehalogenation upon respiration. The functional species performed the activities of ferrous oxidation to ferric ions and further ferrous reduction for dehalogenation. The present study links iron cycling to degradation of halogenated materials in natural e-waste-contaminated soil, and highlights the synergistic roles of soil bacteria and ferrous/ferric ion cycling in the dehalogenation of polychlorinated biphenyls (PCBs) and polybrominated biphenyl ethers (PBDEs). - Highlights: • The biodegradation PCBs and PBDEs in e-waste contaminated soils was studied. • DIRB and arylhalorespiring bacteria were responsive to dehalogenation respiration. • Soil bacteria and Fe ion cycling play synergistic roles in dehalogenation

  10. Polychlorinated biphenyls in eggs and chlorioallantoic membranes of American alligators (Alligator mississippiensis) from coastal South Carolina

    Energy Technology Data Exchange (ETDEWEB)

    Cobb, G.P.; Wood, P.D. [Clemson Univ., Pendleton, SC (United States); O`Quinn, M. [South Carolina Governor`s School for Science and Mathematics, Hartsville, SC (United States)

    1997-07-01

    Assessing chemical exposure in threatened or endangered wildlife species presents unique analytical problems. Chorioallantoic membranes (CAMs) have been proposed as surrogate tissues for evaluation of polychlorinated biphenyl (PCB) exposure in oviparous species. Research was undertaken to determine the extent of PCB accumulation in alligators (Alligator mississippiensis) at sites along the coast of South Carolina and to evaluate the utility of CAMs as surrogate tissues for determining PCB concentrations in whole alligator eggs. Polychlorinated biphenyls were found in eggs and CAMs of alligators from both sites examined. Concentrations of PCBs were higher in CAMs (p = 0.02) and eggs (p = 0.001) from sites known to contain chlorinated hydrocarbons than from more pristine sites. Total PCBs partitioned predictably (r{sup 2} > 0.59; p < 0.02) between egg and CAM tissues indicating the utility of CAMs to serve as surrogate tissues when comparing total PCB concentrations in whole eggs. Tetrachloro through octachloro biphenyl homologues and total PCBs in CAMs from reference areas were correlated with concentrations of these homologues in eggs. At contaminated sites, total PCB concentrations in CAMs were correlated with total PCB concentrations in eggs.

  11. Interconversion between Methoxylated and Hydroxylated Polychlorinated Biphenyls in Rice Plants: An Important but Overlooked Metabolic Pathway.

    Science.gov (United States)

    Sun, Jianteng; Pan, Lili; Su, Zhenzhu; Zhan, Yu; Zhu, Lizhong

    2016-04-01

    To date, there is limited knowledge on the methoxylation of polychlorinated biphenyls (PCBs) and the relationship between hydroxylated polychlorinated biphenyls (OH-PCBs) and methoxylated polychlorinated biphenyls (MeO-PCBs) in organisms. In this study, rice (Oryza sativa L.) was chosen as the model organism to determine the metabolism of PCBs in plants. Limited para-substituted 4'-OH-CB-61 (major metabolite) and 4'-MeO-CB-61 (minor metabolite) were found after a 5-day exposure to CB-61, while ortho- and meta-substituted products were not detected. Interconversion between OH-PCBs and MeO-PCBs in organisms was observed for the first time. The demethylation ratio of 4'-MeO-CB-61 was 18 times higher than the methylation ratio of 4'-OH-CB-61, indicating that formation of OH-PCBs was easier than formation of MeO-PCBs. The transformation products were generated in the roots after 24 h of exposure. The results of in vivo and in vitro exposure studies show that the rice itself played a key role in the whole transformation processes, while endophytes were jointly responsible for hydroxylation of PCBs and demethylation of MeO-PCBs. Metabolic pathways of PCBs, OH-PCBs, and MeO-PCBs in intact rice plants are proposed. The findings are important in understanding the fate of PCBs and the source of OH-PCBs in the environment. PMID:26928534

  12. Macrocyclic ligands for uranium complexation

    International Nuclear Information System (INIS)

    A highly preorganized 24-macrocycle containing biuret, thiobiuret and pyridine subunits has been prepared by high dilution ring-closure procedures. Intermediate products to this macrocycle have been utilized to extend this synthetic route to include further representatives where solubility and stability will be influenced by substituent variation. A 1:1 complex has been formed from uranyl acetate and a quinquepyridine derivative, this representing a new type of ligand for the uranyl ion. A very convenient synthetic procedure that will allow the incorporation of these macrocycles into polymeric systems has been developed for the introduction of a vinyl substituent into the 4-position of the pyridine ring. Using triflate, vinyltributyltin and Pd0 chemistry, this procedure should make a variety of substituted 4-vinylpyridines available for the first time. 3 refs

  13. Synthesis and characterization of mixed ligand chiral nanoclusters

    OpenAIRE

    Güven, Zekiye Pelin; Guven, Zekiye Pelin; Üstbaş, Burçin; Ustbas, Burcin; Harkness, Kellen M.; Coşkun, Hikmet; Coskun, Hikmet; Joshi, Chakra P.; Besong, Tabot M. D.; Stellacci, Francesco; Bakr, Osman M.; Akbulut, Özge; Akbulut, Ozge

    2015-01-01

    Chiral mixed ligand silver nanoclusters were synthesized in the presence of a chiral and an achiral ligand. The ratio of the ligands was changed to track the formation of these clusters. While the chiral ligand lead to nanoparticles, Presence of the achiral ligand induced the formation of nanoclusters with chiral properties.

  14. Ligand-receptor Interactions by NMR Spectroscopy

    Directory of Open Access Journals (Sweden)

    Novak. P.

    2008-04-01

    Full Text Available Today NMR spectroscopy is a method of choice for elucidation of interactions between biomolecules and the potential ligands. Knowledge on these interactions is an essential prerequisite for the rational drug design. The most important contribution of NMR to drug design a few years ago was the 3D structure determination of proteins. Besides delivering the 3D structures of the free proteins as a raw material for the modeling studies on ligand binding, NMR can directly yield valuable experimental data on the biologically important protein-ligand complexes. In addition to X-ray diffraction, NMR spectroscopy can provide information on the internal protein dynamics ordynamics of intermolecular interactions. Changes in NMR parameters allow us to detect ("SAR by NMR" and quantitatively determine binding affinities (titration, diffusion NMR experiments, etc. of potential ligands. Also, it is possible to determine the binding site and conformations of ligands, receptors and receptor-ligand complexes with the help of NMR methods such as tr-NOESY. Epitopes or functional groups responsible for binding of ligands to the receptor can be identified by employing STD or WaterLOGSY experiments. In this review are described some of the most frequent NMR methods for the characterization of the interactions between biomolecules and ligands, together with their advantages and disadvantages.

  15. Magnetic nanoparticles linked to a ligand

    OpenAIRE

    Penadés, Soledad; Martín-Lomas, Manuel; Martínez de la Fuente, Jesús; Rademacher, Thomas W.

    2006-01-01

    Materials and methods for making small magnetic particles, e.g. clusters of metal atoms, which can be employed as a substrate for immobilising a plurality of ligands. Also disclosed are uses of these magnetic nanoparticles as therapeutic and diagnostic reagents, and in the study of ligand-mediated interactions.

  16. Electrochemistry of complex combinations with organic ligands

    International Nuclear Information System (INIS)

    The electrochemical behaviour of Cd(2), Ni(2), Fe(2), Fe(3), In(3), Pb(2) complexes with organic bi-and polydentate ligands have been studied by methods of classical and alternating current polarography. Cadmium and indium complexing depending on pH value and the nature of the ligands (bipyridyl isomers, phosphoric acid esters) is discussed

  17. Ligand sphere conversions in terminal carbide complexes

    DEFF Research Database (Denmark)

    Morsing, Thorbjørn Juul; Reinholdt, Anders; Sauer, Stephan P. A.; Bendix, Jesper

    2016-01-01

    Metathesis is introduced as a preparative route to terminal carbide complexes. The chloride ligands of the terminal carbide complex [RuC(Cl)2(PCy3)2] (RuC) can be exchanged, paving the way for a systematic variation of the ligand sphere. A series of substituted complexes, including the first exam...

  18. Protein-ligand-based pharmacophores: generation and utility assessment in computational ligand profiling.

    Science.gov (United States)

    Meslamani, Jamel; Li, Jiabo; Sutter, Jon; Stevens, Adrian; Bertrand, Hugues-Olivier; Rognan, Didier

    2012-04-23

    Ligand profiling is an emerging computational method for predicting the most likely targets of a bioactive compound and therefore anticipating adverse reactions, side effects and drug repurposing. A few encouraging successes have already been reported using ligand 2-D similarity searches and protein-ligand docking. The current study describes the use of receptor-ligand-derived pharmacophore searches as a tool to link ligands to putative targets. A database of 68,056 pharmacophores was first derived from 8,166 high-resolution protein-ligand complexes. In order to limit the number of queries, a maximum of 10 pharmacophores was generated for each complex according to their predicted selectivity. Pharmacophore search was compared to ligand-centric (2-D and 3-D similarity searches) and docking methods in profiling a set of 157 diverse ligands against a panel of 2,556 unique targets of known X-ray structure. As expected, ligand-based methods outperformed, in most of the cases, structure-based approaches in ranking the true targets among the top 1% scoring entries. However, we could identify ligands for which only a single method was successful. Receptor-ligand-based pharmacophore search is notably a fast and reliable alternative to docking when few ligand information is available for some targets. Overall, the present study suggests that a workflow using the best profiling method according to the protein-ligand context is the best strategy to follow. We notably present concrete guidelines for selecting the optimal computational method according to simple ligand and binding site properties. PMID:22480372

  19. Optimizing Polychlorinated Biphenyl Degradation by Flavonoid-Induced Cells of the Rhizobacterium Rhodococcus erythropolis U23A.

    Directory of Open Access Journals (Sweden)

    Thi Thanh My Pham

    Full Text Available There is evidence that many plant secondary metabolites may act as signal molecules to trigger the bacterial ability to metabolize polychlorinated biphenyls (PCBs during the rhizoremediation process. However, the bases for the PCB rhizoremediation process are still largely unknown. The rhizobacterium Rhodococcus erythropolis U23A is unable to use flavanone as a growth substrate. However, on the basis of an assay that monitors the amount of 4-chlorobenzoate produced from 4-chlorobiphenyl by cells grown co-metabolically on flavanone plus sodium acetate, this flavonoid was previously found to be a potential inducer of the U23A biphenyl catabolic pathway. In this work, and using the same assay, we identified ten other flavonoids that did not support growth, but that acted as inducers of the U23A biphenyl pathway, and we confirmed flavonoid induction of the biphenyl catabolic pathway using quantitative real-time polymerase chain reaction (RT-qPCR on the bphA gene. We also examined the effect of the growth co-substrate on flavonoid induction. Sodium acetate was replaced by glucose, mannose, sucrose, or mannitol, which are sugars found in plant root exudates. The data showed that the level of induction of strain U23A biphenyl-degrading enzymes was significantly influenced by the nature and concentration of the flavonoid in the growth medium, as well as by the substrate used for growth. Sucrose allowed for an optimal induction response for most flavonoids. Some flavonoids, such as flavone and isoflavone, were better inducers of the biphenyl catabolic enzymes than biphenyl itself. We also found that all flavonoids tested in this work were metabolized by strain U23A during co-metabolic growth, but that the metabolite profiles, as well as the level of efficiency of degradation, differed for each flavonoid. To obtain insight into how flavonoids interact with strain U23A to promote polychlorinated biphenyl (PCB degradation, we determined the concentration of

  20. Autocrine signal transmission with extracellular ligand degradation

    International Nuclear Information System (INIS)

    Traveling waves of cell signaling in epithelial layers orchestrate a number of important processes in developing and adult tissues. These waves can be mediated by positive feedback autocrine loops, a mode of cell signaling where binding of a diffusible extracellular ligand to a cell surface receptor can lead to further ligand release. We formulate and analyze a biophysical model that accounts for ligand-induced ligand release, extracellular ligand diffusion and ligand–receptor interaction. We focus on the case when the main mode for ligand degradation is extracellular and analyze the problem with the sharp threshold positive feedback nonlinearity. We derive expressions that link the speed of propagation and other characteristics of traveling waves to the parameters of the biophysical processes, such as diffusion rates, receptor expression level, etc. Analyzing the derived expressions we found that traveling waves in such systems can exhibit a number of unusual properties, e.g. non-monotonic dependence of the speed of propagation on ligand diffusivity. Our results for the fully developed traveling fronts can be used to analyze wave initiation from localized perturbations, a scenario that frequently arises in the in vitro models of epithelial wound healing, and guide future modeling studies of cell communication in epithelial layers

  1. Improving protein-ligand docking with flexible interfacial water molecules using SWRosettaLigand.

    Science.gov (United States)

    Li, Linqing; Xu, Weiwei; Lü, Qiang

    2015-11-01

    Computational protein-ligand docking is of great importance in drug discovery and design. Conformational changes greatly affect the results of protein-ligand docking, especially when water molecules take part in mediating protein ligand interactions or when large conformational changes are observed in the receptor backbone interface. We have developed an improved protocol, SWRosettaLigand, based on the RosettaLigand protocol. This approach incorporates the flexibility of interfacial water molecules and modeling of the interface of the receptor into the original RosettaLigand. In a coarse sampling step, SWRosettaLigand pre-optimizes the initial position of the water molecules, docks the ligand to the receptor with explicit water molecules, and minimizes the predicted structure with water molecules. The receptor backbone interface is treated as a loop and perturbed and refined by kinematic closure, or cyclic coordinate descent algorithm, with the presence of the ligand. In two cross-docking test sets, it was identified that for 8 out of 14, and 16 out of 22, test instances, the top-ranked structures by SWRosettaLigand achieved better accuracy than other protocols. PMID:26515196

  2. Differential expression of biphenyl synthase gene family members in fire-blight-infected apple 'Holsteiner Cox'.

    Science.gov (United States)

    Chizzali, Cornelia; Gaid, Mariam M; Belkheir, Asma K; Hänsch, Robert; Richter, Klaus; Flachowsky, Henryk; Peil, Andreas; Hanke, Magda-Viola; Liu, Benye; Beerhues, Ludger

    2012-02-01

    Fire blight, caused by the bacterium Erwinia amylovora, is a devastating disease of apple (Malus × domestica). The phytoalexins of apple are biphenyls and dibenzofurans, whose carbon skeleton is formed by biphenyl synthase (BIS), a type III polyketide synthase. In the recently published genome sequence of apple 'Golden Delicious', nine BIS genes and four BIS gene fragments were detected. The nine genes fall into four subfamilies, referred to as MdBIS1 to MdBIS4. In a phylogenetic tree, the BIS amino acid sequences from apple and Sorbus aucuparia formed an individual cluster within the clade of the functionally diverse type III polyketide synthases. cDNAs encoding MdBIS1 to MdBIS4 were cloned from fire-blight-infected shoots of apple 'Holsteiner Cox,' heterologously expressed in Escherichia coli, and functionally analyzed. Benzoyl-coenzyme A and salicoyl-coenzyme A were the preferred starter substrates. In response to inoculation with E. amylovora, the BIS3 gene was expressed in stems of cv Holsteiner Cox, with highest transcript levels in the transition zone between necrotic and healthy tissues. The transition zone was the accumulation site of biphenyl and dibenzofuran phytoalexins. Leaves contained transcripts for BIS2 but failed to form immunodetectable amounts of BIS protein. In cell cultures of apple 'Cox Orange,' expression of the BIS1 to BIS3 genes was observed after the addition of an autoclaved E. amylovora suspension. Using immunofluorescence localization under a confocal laser-scanning microscope, the BIS3 protein in the transition zone of stems was detected in the parenchyma of the bark. Dot-shaped immunofluorescence was confined to the junctions between neighboring cortical parenchyma cells. PMID:22158676

  3. Polychlorinated biphenyls (PCBs) in the frame of the dismantling of nuclear facilities

    International Nuclear Information System (INIS)

    During construction and maintenance of nuclear facilities PCB (polychlorinated biphenyls) containing paints were used in a large extent in the past. The WAK dismantling and disposal Company has dismantles such facilities and identified the PCB in the buildings. Besides the radionuclides the conventional hazardous material group of the PCBs has also to be disposed. The respective legal regulations have to be considered. In the frame of the contribution the radiological release of building structures with respect to re-use or demolition and residual PCB containing materials is discussed. The radiological disposal in final repositories and the conventional disposal regulations for releasable residual wastes are reported.

  4. Whole-Cell Fluorescent Biosensors for Bioavailability and Biodegradation of Polychlorinated Biphenyls

    Directory of Open Access Journals (Sweden)

    David Ryan

    2010-02-01

    Full Text Available Whole-cell microbial biosensors are one of the newest molecular tools used in environmental monitoring. Such biosensors are constructed through fusing a reporter gene such as lux, gfp or lacZ,to a responsive promoter. There have been many reports of the applications of biosensors, particularly their use in assaying pollutant toxicity and bioavailability. This paper reviews the basic concepts behind the construction of whole-cell microbial biosensors for pollutant monitoring, and describes the applications of two such biosensors for detecting the bioavailability and biodegradation of Polychlorinated Biphenyls (PCBs.

  5. Remobilization of polychlorinated biphenyls from sediment and its consequences for their transport in river waters

    OpenAIRE

    Gdaniec-Pietryka, Monika; Mechlińska, Agata; Wolska, Lidia; Gałuszka, Agnieszka; Namieśnik, Jacek

    2012-01-01

    A laboratory experiment was performed to examine the remobilization of indicator polychlorinated biphenyls (iPCBs) from sediments and its results were applied to the real-world data for explaining the transport of PCBs in river. Seven PCB concentrations were determined in three series of model water–sediment systems (3 g of river sediment, three different volumes of distilled water (0.5, 0.25, and 0.15 ml), and 5 mg of biocide) after 11 days of incubation. Solid-phase extraction was used for ...

  6. Population Dynamics of Polychlorinated Biphenyl-Dechlorinating Microorganisms in Contaminated Sediments

    OpenAIRE

    Kim, J.; Rhee, G.

    1997-01-01

    The growth dynamics of polychlorinated biphenyl (PCB)-dechlorinating microorganisms were determined for the first time, along with those of sulfate reducers and methanogens, by using the most-probable-number technique. The time course of Aroclor 1248 dechlorination mirrored the growth of dechlorinators; dechlorination ensued when the dechlorinating population increased by 2 orders of magnitude from 2.5 x 10(sup5) to 4.6 x 10(sup7) cells g of sediment(sup-1), at a specific growth rate of 6.7 d...

  7. Radiolytic dechlorination of polychlorinated biphenyls in transformer oil and in marine sediment

    International Nuclear Information System (INIS)

    Radiolytic dechlorination of polychlorinated biphenyls (PCBs) in transformer oil and in marine sediments has been studied. At low PCB concentrations, complete degradation of the PCBs in transformer oil was achieved without degradation of the oil. Addition of an organic base, triethylamine, enhances the radiolytic dechlorination yield. The mechanism of dechlorination has been shown to involve electron transfer to PCBs from various aromatic radical anions formed in the irradiated oil. At high PCB concentrations, large amounts of triethylamine were necessary to achieve complete radiolytic dechlorination. Preliminary results on PCB-contaminated marine sediments demonstrate that addition of 2-propanol to the sediment/water slurry increases the effectiveness of the electron beam treatment

  8. Isolation of bioactive biphenyl compounds from the twigs of Chaenomeles sinensis.

    Science.gov (United States)

    Kim, Chung Sub; Subedi, Lalita; Kwon, Oh Kil; Kim, Sun Yeou; Yeo, Eui-Ju; Choi, Sang Un; Lee, Kang Ro

    2016-01-15

    Investigation of the MeOH extract of Chaenomeles sinensis twigs resulted in the isolation of seven biphenyl compounds (1-7) including a new compound, chaenomin (1). The chemical structures of the isolated compounds were elucidated by extensive NMR data ((1)H and (13)C NMR, (1)H-(1)H COSY, HSQC and HMBC), specific optical rotation, and chemical reaction. Compounds 2 and 6 showed potent cytotoxic activities against four cancer cell lines (A549, SK-OV-3, SK-MEL-2, and HCT15), and compound 7 exhibited potent anti-neuroinflammatory and NGF-potentiating activity. PMID:26706168

  9. Management of the Polychlorinated Biphenyl Inventory in the Double-Shell Tank (DST) System

    International Nuclear Information System (INIS)

    This document presents the significant management features for polychlorinated biphenyl (PCB) wastes in the double-shell tank (DST) system, discussed in Sections 2.0 through 4.0. Section 2.0 delineates the decision limits for acceptance of PCB wastes into and within the DST system. Section 3.0 briefly discusses the process for obtaining a baseline PCB inventory. The PCB inventory tracking system for waste transfers into and within the DST system is described in Section 4.0. The implementation of this PCB management plan is described in Section 5.0. Section 6.0 names the organizations responsible for implementation of the plans elements

  10. Rapid separation of polychlorinated biphenyls from DDT and its analogues on silica gel

    Science.gov (United States)

    Snyder, Diane; Reinert, Robert E.

    1971-01-01

    Polychlorinated biphenyls (PCB's), which are used in industry worldwide (i), have been found as residues in numerous wildlife species (2-7). Because of the similarity in chemical characteristics, PCB compounds interfere with gas liquid chromatographic (GLC) analysis of certain chlorinated hydrocarbon insecticides (8). In the present study, we sought a rapid microanalytical procedure for separation of PCB's from DDT and its analogues before analysis with GLC. A small silica gel column was found to be suitable for removing two of the Aroclor series of PCB's (1254 and 1260) from DDT and its analogues.

  11. Polycyclic aromatic hydrocarbons (PAH) and polychlorinated biphenyls (PCB) in urban soils of Greater London, UK

    OpenAIRE

    Vane, Christopher H.; Kim, Alexander W.; Beriro, Darren J.; Cave, Mark R.; Knights, Katherine; Moss-Hayes, Vicky; Nathanail, Paul C.

    2014-01-01

    Surface soils from a 19 km2 area in east London, UK were analysed for polycyclic aromatic hydrocarbons (PAH) and polychlorinated biphenyls (PCB) (n = 76). ∑16 PAH ranged from 4 to 67 mg/kg (mean, 18 mg/kg) and ∑50 PAH ranged from 6 to 88 mg/kg (mean, 25 mg/kg). ∑7 PCB ranged from 1 to 750 μg/kg (mean, 22 μg/kg) and ∑tri-hepta PCB ranged 9 to 2600 μg/kg (mean, 120 μg/kg). Compared to other international cities concentrations were similar for PAH but higher for PCB. Normal background concentrat...

  12. Polychlorinated biphenyl concentrations in adipose tissue as determinants of abdominal obesity in the Elderly

    DEFF Research Database (Denmark)

    Bräuner, Elvira; Raaschou-Nielsen, Ole; Andersen, Zorana;

    2013-01-01

    explain the epidemic. Evidence from animal experiments suggests that exposure to endocrine disruptors such as PCBs is associated with the development of obesity but our knowledge of the effects of these compounds on weight gain in humans is limited. Our objective was to investigate the association between...... circumference 5 years after enrolment. We examined ten polychlorinated biphenyl congeners (PCBs) as potential determinants. All PCBs included were positively associated with increased abdominal circumference, although this association was not significant. These data do not support the hypotheses of a link...

  13. 1-[(Biphenyl-4-yl(phenylmethyl]-1H-imidazole (bifonazole

    Directory of Open Access Journals (Sweden)

    Lynne S. Taylor

    2010-10-01

    Full Text Available In the title compound, C22H18N2, the dihedral angles formed by the imidazole ring with the phenyl ring and the benzene ring of the biphenyl group are 87.02 (5 and 78.20 (4°, respectively. In the crystal, molecules interact through intermolecular C—H...N hydrogen bonds, forming chains parallel to the b axis. These chains are further linked into a three-dimensional network by C—H...π stacking interactions

  14. Synthesis of new biphenyl-substituted quinoline derivatives, preliminary screening and docking studies

    Indian Academy of Sciences (India)

    Nellisara D Shashikumar; Ganganaika Krishnamurthy; Halehatti S Bhojyanaik; Mayasandra R Lokesh; Kaginalli S Jithendrakumara

    2014-01-01

    New quinoline derivatives containing biphenyl ring were synthesized and characterized by IR, 1H NMR and mass spectral studies. The synthesized compounds were screened for antimicrobial, anthelmintic activities as well as free radical scavenging property against the DPPH radical. The minimum inhibition concentration values showed promising inhibiting activity and are potent biological agents. The compounds showed minimum binding energy towards -tubulin. The compounds 11a, 11c, 13c and 13d have good affinity towards the active pocket and may be considered as a good inhibitor of -tubulin.

  15. Separation of Biphenyl Nitrile Compounds by Microemulsion Electrokinetic Chromatography with Mixed Surfactants

    Institute of Scientific and Technical Information of China (English)

    Su Xuan GONG; Tao BO; Lan HUANG; Ke An LI; Hu Wei LIU

    2004-01-01

    A mixture of nine biphenyl nitrile compounds with high hydrophobicity and similar structures was successfully separated by microemulsion electrokinetic chromatography (MEEKC) within 30 min. The buffer system contained 100 mmol/L sodium dodecyl sulfate (SDS), 80 mmol/L sodium cholate (SC), 0.81% heptane, 7.5% n-butanol, 10% acetonitrile and 10 mmol/L borate. The addition of SC, organic modifiers, sample preparation and temperature all showed remarkable effect on the separation. Meanwhile, the MEEKC method was briefly compared with micellar electrokinetic chromatography (MEKC) method.

  16. Ligand Exchange Processes on Solvated Lithium Cations

    OpenAIRE

    Pasgreta, Ewa Maria

    2007-01-01

    In this work the solvation process of Li+ ion, as well as solvent and ligand exchange reactions on Li+ ion were studied. Li+ ions possess interesting properties and like other alkali metal ions are known to form complexes with macrocyclic ligands called cryptands. In this summary, an overview over the insights gained in the factors that control the reactivity of Li+ complexes with respect to the solvent and cryptand properties is presented. Three main questions were addressed: • How does the ...

  17. Chemistry of Marine Ligands and Siderophores

    OpenAIRE

    Vraspir, Julia M.; Butler, Alison

    2009-01-01

    Marine microorganisms are presented with unique challenges to obtain essential metal ions required to survive and thrive in the ocean. The production of organic ligands to complex transition metal ions is one strategy to both facilitate uptake of specific metals, such as iron, and to mitigate the potential toxic effects of other metal ions, such as copper. A number of important trace metal ions are complexed by organic ligands in seawater, including iron, cobalt, nickel, copper, zinc, and cad...

  18. Fas ligand deficiency in HIV disease

    OpenAIRE

    Sieg, Scott; Smith, Dawn; Yildirim, Zafer; Kaplan, David

    1997-01-01

    Apoptosis is postulated to be involved as an anti-viral immune mechanism by killing infected cells before viral replication has occurred. The Fas–Fas ligand interaction is a powerful regulator of T cell apoptosis and could potentially act as a potent anti-viral immune mechanism against T cell tropic virus such as human immunodeficiency virus (HIV). We investigated the status of Fas ligand in peripheral blood mononuclear cells (PBMCs) obtained from persons infected with HIV. We found that mono...

  19. Construction of dinuclear complexes using multidentate ligands

    International Nuclear Information System (INIS)

    This work details the synthesis of novel copper(I), copper(II), nickel(II) and zinc(II) dinuclear complexes. Attempts have been made to control the co-ordination architectures of the metal centres by using bis-bidentate and tridentate chelating N,S- and N-donor ligands to generate dinuclear systems. The ligands were both symmetrically and asymmetrically disubstituted pyridazine-based and pyridine-based ligands consisting of a mixture of N-only and mixed N,S-donors. The study using the pyridazine-based ligands continues previous research in our group using 3,6-bis disubstituted pyridazine-based ligands to form complexes with copper(l) and copper(II). The pyridazine-based ligands have been seen to be bis-bidentate upon co-ordination of copper. The pyridazine-based ligands could be envisaged to generate dinuclear complexes by directly bridging between two metal ions. This study involved the formation of copper(l), nickel(II) and zinc(II) complexes with these ligands. The structural properties of two particular complexes have been explored using X-ray crystallography and spectroscopic techniques. Pyridine-based ligands have also been used previously in our group as tridentate chelating ligands. They have been seen to form dinuclear complexes with copper(I) and copper(II) when reacted with an additional bridging ligand e.g. 4,4'-bipyridine. This provides an alternative method for generating dinuclear complexes. Chapter 1 presents an introduction to the area of supramolecular chemistry from which we can learn the principles of polymer formation and them 'in reverse' to generate discrete dinuclear systems. Chapter 2 details the synthesis of the pyridazine and pyridine-based ligands including a detailed nmr study of the ligands. Since the ligands were synthesised using cyclic thioamides as terminal groups it has been found that thiol-thione tautomerisation occurred during synthesis giving rise to two possible ligand conformations. The nmr study has been used to try and

  20. Visualizing ligand molecules in twilight electron density

    International Nuclear Information System (INIS)

    A software script is presented for facilitating the analysis and visual inspection of ligand molecules in the context of the electron-density maps calculated from experimental data associated with protein structures determined by X-ray crystallography. Three-dimensional models of protein structures determined by X-ray crystallography are based on the interpretation of experimentally derived electron-density maps. The real-space correlation coefficient (RSCC) provides an easily comprehensible, objective measure of the residue-based fit of atom coordinates to electron density. Among protein structure models, protein–ligand complexes are of special interest, given their contribution to understanding the molecular underpinnings of biological activity and to drug design. For consumers of such models, it is not trivial to determine the degree to which ligand-structure modelling is biased by subjective electron-density interpretation. A standalone script, Twilight, is presented for the analysis, visualization and annotation of a pre-filtered set of 2815 protein–ligand complexes deposited with the PDB as of 15 January 2012 with ligand RSCC values that are below a threshold of 0.6. It also provides simplified access to the visualization of any protein–ligand complex available from the PDB and annotated by the Uppsala Electron Density Server. The script runs on various platforms and is available for download at http://www.ruppweb.org/twilight//

  1. Designer TGFβ superfamily ligands with diversified functionality.

    Directory of Open Access Journals (Sweden)

    George P Allendorph

    Full Text Available Transforming Growth Factor--beta (TGFβ superfamily ligands, including Activins, Growth and Differentiation Factors (GDFs, and Bone Morphogenetic Proteins (BMPs, are excellent targets for protein-based therapeutics because of their pervasiveness in numerous developmental and cellular processes. We developed a strategy termed RASCH (Random Assembly of Segmental Chimera and Heteromer, to engineer chemically-refoldable TGFβ superfamily ligands with unique signaling properties. One of these engineered ligands, AB208, created from Activin-βA and BMP-2 sequences, exhibits the refolding characteristics of BMP-2 while possessing Activin-like signaling attributes. Further, we find several additional ligands, AB204, AB211, and AB215, which initiate the intracellular Smad1-mediated signaling pathways more strongly than BMP-2 but show no sensitivity to the natural BMP antagonist Noggin unlike natural BMP-2. In another design, incorporation of a short N-terminal segment from BMP-2 was sufficient to enable chemical refolding of BMP-9, without which was never produced nor refolded. Our studies show that the RASCH strategy enables us to expand the functional repertoire of TGFβ superfamily ligands through development of novel chimeric TGFβ ligands with diverse biological and clinical values.

  2. LigandRFs: random forest ensemble to identify ligand-binding residues from sequence information alone

    KAUST Repository

    Chen, Peng

    2014-12-03

    Background Protein-ligand binding is important for some proteins to perform their functions. Protein-ligand binding sites are the residues of proteins that physically bind to ligands. Despite of the recent advances in computational prediction for protein-ligand binding sites, the state-of-the-art methods search for similar, known structures of the query and predict the binding sites based on the solved structures. However, such structural information is not commonly available. Results In this paper, we propose a sequence-based approach to identify protein-ligand binding residues. We propose a combination technique to reduce the effects of different sliding residue windows in the process of encoding input feature vectors. Moreover, due to the highly imbalanced samples between the ligand-binding sites and non ligand-binding sites, we construct several balanced data sets, for each of which a random forest (RF)-based classifier is trained. The ensemble of these RF classifiers forms a sequence-based protein-ligand binding site predictor. Conclusions Experimental results on CASP9 and CASP8 data sets demonstrate that our method compares favorably with the state-of-the-art protein-ligand binding site prediction methods.

  3. Fully Flexible Docking of Medium Sized Ligand Libraries with RosettaLigand

    Science.gov (United States)

    DeLuca, Samuel; Khar, Karen; Meiler, Jens

    2015-01-01

    RosettaLigand has been successfully used to predict binding poses in protein-small molecule complexes. However, the RosettaLigand docking protocol is comparatively slow in identifying an initial starting pose for the small molecule (ligand) making it unfeasible for use in virtual High Throughput Screening (vHTS). To overcome this limitation, we developed a new sampling approach for placing the ligand in the protein binding site during the initial ‘low-resolution’ docking step. It combines the translational and rotational adjustments to the ligand pose in a single transformation step. The new algorithm is both more accurate and more time-efficient. The docking success rate is improved by 10–15% in a benchmark set of 43 protein/ligand complexes, reducing the number of models that typically need to be generated from 1000 to 150. The average time to generate a model is reduced from 50 seconds to 10 seconds. As a result we observe an effective 30-fold speed increase, making RosettaLigand appropriate for docking medium sized ligand libraries. We demonstrate that this improved initial placement of the ligand is critical for successful prediction of an accurate binding position in the ‘high-resolution’ full atom refinement step. PMID:26207742

  4. Analysis the mixtures of polyphenyls by gas chromatrogaphie. 1.- Area response for biphenyl and terphenyls relative to triphenylmethane

    International Nuclear Information System (INIS)

    The relative performances of the thermal conductivity and flame ionization detectors towards triphenylmethane were investigated for each one of the components of biphenyl of biphenyl and terphenyl mixtures. The influence of the concentration of the considered compound as well as the influence derived from the present of all other components on the above-mentioned relative performance were studied. A 2 m long column filled with 50-70 mesh stomacher containing 20% apiezon L was used to carry out the study with the thermal conductivity detector by keeping the column at 300 degree centigree using helium gas as carrier. (Author) 13 refs

  5. Arbuscular Mycorrhizal Fungal Hyphae Alter Soil Bacterial Community and Enhance Polychlorinated Biphenyls Dissipation

    Science.gov (United States)

    Qin, Hua; Brookes, Philip C.; Xu, Jianming

    2016-01-01

    We investigated the role of arbuscular mycorrhizal fungal (AMF) hyphae in alternation of soil microbial community and Aroclor 1242 dissipation. A two-compartment rhizobox system with double nylon meshes in the central was employed to exclude the influence of Cucurbita pepo L. root exudates on hyphal compartment soil. To assess the quantitative effect of AMF hyphae on soil microbial community, we separated the hyphal compartment soil into four horizontal layers from the central mesh to outer wall (e.g., L1–L4). Soil total PCBs dissipation rates ranged from 35.67% of L4 layer to 57.39% of L1 layer in AMF inoculated treatment, which were significant higher than the 17.31% of the control (P biphenyls as well as the total PCBs were significantly correlated with soil hyphal length (P biphenyl dissipation, while taxa from the Oxalobacteraceae and Streptomycetaceae responded negatively to AMF and PCB congener dissipation. Our results suggested that the AMF hyphal exudates as well as the hyphae per se did have quantitative effects on shaping soil microbial community, and could modify the PCBs dissipation processes consequently. PMID:27379068

  6. Polychlorinated biphenyls (PCBs) in a benthic ecosystem in Gwangyang Bay, South Korea

    International Nuclear Information System (INIS)

    Highlights: ► PCBs are still detectable in Gwangyang Bay in spite of their ban in 1980s. ► PCBs in the benthic ecosystem is enriched in lower chlorinated biphenyls. ► PCBs are released from a nearby local steel industry. ► Distribution of PCBs to the bay arises mostly from atmospheric transfer. - Abstract: Benthic ecosystem in Gwangyang Bay, a fast developing industrial area with steel production, port container handling, petroleum and other chemical processing in South Korea was studied. The average levels of polychlorinated biphenyls (ΣPCB) in the benthic components were: seawater 2.99 ± 0.13 (ng/L); sediment 294 ± 118 (ng/g TOC); [biota = ng/g lipid] starfish 92; prawn 131 ± 2; mussels 127 ± 22; crab 182 ± 114; clam 187; polychaeta 215; sea cucumber 497 ± 90; squill 603 ± 38; fish 396 ± 159. Levels in the inner bay samples were higher than the outer bay samples suggesting land based pollution. Good correlation (r2 = 0.79; p < 0.05) existed between PCB concentration and lipid content indicating partitioning processes in action. PCB signature in the abiotic and biotic components shows enrichment of lower chlorinated congeners emitted by a unique source nearby, viz. steel manufacturing plant.

  7. Polychlorinated biphenyls in surface soil in urban and background areas of Mongolia

    International Nuclear Information System (INIS)

    Polychlorinated biphenyls (PCBs) were measured in soil in some industrial towns (Ulaanbaatar, Suhbaatar, Erdenet, Darhan, Tsetserleg, Hovd, Ulaangom, Altay, Bayanhongor, Arvayheer, Saynshand, Choybalsan) and in background and rural areas of Mongolia. The average sum of all investigated PCB congeners in soil of Mongolia comes to 7.4 ng/g dry weight (DW) and varies from 0.53 ng/g DW till 114 ng/g DW. PCB levels in soil from towns are significantly higher than those in soil from background and rural areas. The PCB homological composition in soil sampled in highly-PCB-polluted sites is similar to the PCB homological pattern in Sovol and Aroclor 1254. Significant correlation between soil organic carbon and low chlorinated PCB both for towns and background sites was found. Significant differences in PCB means in soil in different natural zones were found. -- Highlights: •First study to measure PCBs in surface soil sampled throughout Mongolia. •The PCB patterns in polluted soil were similar to those in Sovol or Aroclor 1254. •Significant differences in PCB means in soil in different natural zones were found. -- Polychlorinated biphenyls were measured in soils throughout Mongolia

  8. Tissue damage after acute intoxication by polychlorinated biphenyls (PCBs in cockroaches Blattella germanica

    Directory of Open Access Journals (Sweden)

    S Lambiase

    2009-06-01

    Full Text Available It is common knowledge that polychlorinated biphenyls (PCBs represent a serious threat to the health of both vertebrates and invertebrates. As far as the former are concerned, especially as regards human beings, a broad literature describes the direct and indirect effects induced by the PCBs on their systems and organs. Among invertebrates, the information available is mostly related to arthropods and is, however, very scarce. The aim of this work was to evaluate the effects of polychlorinated biphenyls (PCBs on tissues and organs of individuals belonging to a species of Blattaria (Blattella germanica treated with various doses of this toxic material. The pathologies found became more serious as the dosage increased and were present throughout the entire digestive system, in the fat body and in the male gonads: in these areas cell and tissue breakdown and severely damaged spermiogenesis were observed. In particular, the testicles, Malpighian tubules and fat body accumulated an amorphous basophilic PAS-positive substance. Furthermore, the NOS-dependent NADPH diaphorase activity pattern in the retina and optic lobes was more evident in the treated than in the control insects.

  9. Ab initio study of long-range electron transfer between biphenyl anion radical and naphthalene

    Institute of Scientific and Technical Information of China (English)

    李象远; 肖顺清; 何福城

    1999-01-01

    After the separation of the donor, the aeceptor, and the σ-type bridge from the π-σ-π system, the geometries of biphenyl, biphenyl anion radical, naphthalene, and naphthalene anion radical are optimized, and then the reorganization energy for the intermolecular electron transfer (ET) at the levels of HF/4-31G and HF/DZP is calculated. The ET matrix elements of the self-exchange reactions of the π-σ-π systems have been calculated by means of both the direct calculation based on the variational principle, and the transition energy between the molecular orbitals at the linear coordinate R=0.5. For the cross reactions, the ET matrix element and the geometry of the transition state are determined by searching the minimum energy splitting △min along the reaction coordinate. In the evaluation of the solvent reorganization energy of the ET in solution, the Marcus’ two-sphere model has been invoked. A few of ET rate constants for the intramolecular ET reactions for the π-σ-π systems, which contain

  10. Assessment of exposure risk of polychlorinated biphenyls to interior least terns (Sterna antillarum)

    Science.gov (United States)

    Sanchez, B.C.; Caldwell, C.A.

    2008-01-01

    Risk of polychlorinated biphenyl (PCB) exposure and effects were assessed for a colony of federally endangered interior least terns (Sterna antillarum) nesting on the Bitter Lake National Wildlife Refuge (NM, USA). The colony feeds from an area on the Refuge (Hunter Marsh/Oxbow Complex) wherein fish with elevated concentrations of total PCBs have been documented. Concentrations of total PCBs in whole fish averaged 0.94 mg/kg with a maximum concentration of 2.77 mg/kg, wet weight. Estimated daily PCB intake rates by adult birds throughout their 180-d breeding season ranged from <0.01 mg/kg/d to 0.98 mg/kg/d, yielding hazard quotients that ranged from 0.01 to 21.68. Polychlorinated biphenyls pose a moderate risk to the colony of interior least terns that breed at the Bitter Lake National Wildlife Refuge, but the exposure rate is not likely to threaten their overall breeding success. ?? 2008 SETAC.

  11. Atmospheric polychlorinated biphenyls in Indian cities: Levels, emission sources and toxicity equivalents

    International Nuclear Information System (INIS)

    Atmospheric concentration of Polychlorinated biphenyls (PCBs) were measured on diurnal basis by active air sampling during Dec 2006 to Feb 2007 in seven major cities from the northern (New Delhi and Agra), eastern (Kolkata), western (Mumbai and Goa) and southern (Chennai and Bangalore) parts of India. Average concentration of Σ25PCBs in the Indian atmosphere was 4460 (±2200) pg/m−3 with a dominance of congeners with 4–7 chlorine atoms. Model results (HYSPLIT, FLEXPART) indicate that the source areas are likely confined to local or regional proximity. Results from the FLEXPART model show that existing emission inventories cannot explain the high concentrations observed for PCB-28. Electronic waste, ship breaking activities and dumped solid waste are attributed as the possible sources of PCBs in India. Σ25PCB concentrations for each city showed significant linear correlation with Toxicity equivalence (TEQ) and Neurotoxic equivalence (NEQ) values. Highlights: •Unlike decreasing trend of PCBs in United States and European countries, high levels of PCBs remain in the Indian atmosphere. •Existing emission inventories cannot explain the high PCB concentrations in Indian atmosphere. •Electronic waste recycling, ship dismantling and open burning of municipal solid waste are implicated as potential sources. -- Measurement of atmospheric Polychlorinated biphenyls in seven major Indian cities

  12. Hydroxy and methylsulfone metabolites of polychlorinated biphenyls in the human blood and tissues

    Energy Technology Data Exchange (ETDEWEB)

    Masuda, Yoshito; Haraguchi, Koichi [Daiichi College of Pharmaceutical Sciences, Fukuoka (Japan)

    2004-09-15

    Polychlorinated biphenyls (PCBs) are a group of chlorinated compounds which have polluted the global environment, persistently retained in wildlife and humans, and eventually affected the human health. PCBs are biotransformed to mainly hydroxy (HO-) and methylsulfone (MeSO{sub 2}-) metabolites in the animal and human tissues. About ten thousands of chemical and biological researches on PCBs, HOPCBs and MeSO{sub 2}-PCBs have been reported and reviewed so far. Letcher et al. cleverly reviewed the HO-PCBs and MeSO2-PCBs in 2000. We review the contamination of HO-PCBs and MeSO{sub 2}-PCBs in human tissues and their possible effects to human health. Different positional numberings of Cl-, HO- and MeSO{sub 2}- on biphenyl rings were used by different authors. Then, nomenclature of PCB metabolite was assessed by Maervoet et al. and they suggested to use the IUPAC chemical name and number of parent PCB congener with the subsequent assignment of the phenyl ring position number of the HO- or MeSO{sub 2}- substituent number afterward.

  13. Thermophysical properties of (diphenyl ether + biphenyl) mixtures for their use as heat transfer fluids

    International Nuclear Information System (INIS)

    Highlights: ► Densities at high pressure of mixtures of diphenyl ether and biphenyl were reported. ► The composition dependence on thermal conductivity and viscosity is very smooth. ► Crossing point in αp isotherms were detected around 38 MPa. ► MYEGA reproduces our experimental η(T) curves with deviations lower than 0.24%. ► The experimental devices were checked obtaining good agreements with literature. - Abstract: Experimental measurements of density, viscosity and thermal conductivity are reported for pure diphenyl ether and three different binary mixtures of diphenyl ether and biphenyl including the eutectic point. Density has been measured for the liquid phase at temperatures ranging from (298.15 to 363.15) K and for pressures up to 45 MPa using a high-pressure vibrating tube densimeter. A Tammann–Tait correlation of the experimental densities has been proposed for each composition. From these correlations, isothermal compressibility, isobaric thermal expansivity and internal pressure have been determined. Moreover, viscosity and thermal conductivity were experimentally determined at atmospheric pressure for several temperatures by using a rolling ball viscometer and a device based in the hot-wire technique, respectively. All the experimental devices used to determine the thermophysical properties were checked finding good agreements with previous literature data. The experimental viscosity values were correlated using the Vogel–Fulcher–Tammann, Avramov–Milchev and MYEGA equation.

  14. Transcriptional Response of Rhodococcus aetherivorans I24 to Polychlorinated Biphenyl-Contaminated Sediments

    KAUST Repository

    Puglisi, Edoardo

    2010-04-06

    We used a microarray targeting 3,524 genes to assess the transcriptional response of the actinomycete Rhodococcus aetherivorans I24 in minimal medium supplemented with various substrates (e. g., PCBs) and in both PCB-contaminated and non-contaminated sediment slurries. Relative to the reference condition (minimal medium supplemented with glucose), 408 genes were upregulated in the various treatments. In medium and in sediment, PCBs elicited the upregulation of a common set of 100 genes, including gene-encoding chaperones (groEL), a superoxide dismutase (sodA), alkyl hydroperoxide reductase protein C (ahpC), and a catalase/peroxidase (katG). Analysis of the R. aetherivorans I24 genome sequence identified orthologs of many of the genes in the canonical biphenyl pathway, but very few of these genes were upregulated in response to PCBs or biphenyl. This study is one of the first to use microarrays to assess the transcriptional response of a soil bacterium to a pollutant under conditions that more closely resemble the natural environment. Our results indicate that the transcriptional response of R. aetherivorans I24 to PCBs, in both medium and sediment, is primarily directed towards reducing oxidative stress, rather than catabolism. © 2010 Springer Science+Business Media, LLC.

  15. The associations between the environmental exposure to polychlorinated biphenyls (PCBs) and breast cancer risk and progression

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    Polychlorinated biphenyls(PCBs) are chlorinated biphenyl compounds with wide applications in the industry.In spite of a ban on their production in the late 1970s,PCBs,as a group of POPs,are still persistent and widely spread in the environment,posing potential threats to human health.The role of PCBs as etiologic agents for breast cancer has been intensively explored in a variety of in vivo,animal and epidemiologic studies.Initial investigations indicated higher levels of PCBs in mammary tissues or sera corresponded to the occurrence of breast cancer,but later studies showed no positive association between PCB exposure and breast cancer development.More recent data suggested that the CYP1A1 m2 polymorphisms might add increased risk to the etiology of breast cancer in women with environmental exposure to PCBs.PCBs are implicated in advancing breast cancer progression,and our unpublished data reveals that PCBs activate the ROCK signaling to enhance breast cancer metastasis.Therefore,the correlation between PCB exposure and breast cancer risk warrants further careful investigations.

  16. The proton nuclear magnetic shielding tensors in biphenyl: experiment and theory.

    Science.gov (United States)

    Schönborn, Frank; Schmitt, Heike; Zimmermann, Herbert; Haeberlen, Ulrich; Corminboeuf, Clémence; Grossmann, Gisbert; Heine, Thomas

    2005-07-01

    Line-narrowing multiple pulse techniques are applied to a spherical sample crystal of biphenyl. The 10 different proton shielding tensors in this compound are determined. The accuracy level for the tensor components is 0.3 ppm. The assignment of the measured tensors to the corresponding proton sites is given careful attention. Intermolecular shielding contributions are calculated by the induced magnetic point dipole model with empirical atom and bond susceptibilities (distant neighbours) and by a new quantum chemical method (near neighbours). Subtracting the intermolecular contributions from the (correctly assigned) measured shielding tensors leads to isolated-molecule shielding tensors for which there are symmetry relations. Compliance to these relations is the criterion for the correct assignment. The success of this program indicates that intermolecular proton shielding contributions can be calculated to better than 0.5 ppm. The isolated-molecule shielding tensors obtained from experiment and calculated intermolecular contributions are compared with isolated-molecule quantum chemical results. Expressed in the icosahedral tensor representation, the rms differences of the respective tensor components are below 0.5 ppm for all proton sites in biphenyl. In the isolated molecule, the least shielded direction of all protons is the perpendicular to the molecular plane. For the para proton, the intermediate principal direction is along the C-H bond. It is argued that these relations also hold for the protons in the isolated benzene molecule. PMID:15949748

  17. Assessing atmospheric concentration of polychlorinated biphenyls by evergreen Rhododendron maximum next to a contaminated stream.

    Science.gov (United States)

    Dang, Viet D; Walters, David M; Lee, Cindy M

    2016-09-01

    Conifers are often used as an air passive sampler, but few studies have focused on the implication of broadleaf evergreens to monitor atmospheric semivolatile organic compounds such as polychlorinated biphenyls (PCBs). In the present study, the authors used Rhododendron maximum (rhododendron) growing next to a contaminated stream to assess atmospheric PCB concentrations. The present study area was located in a rural setting and approximately 2 km downstream of a former capacitor plant. Leaves from the same mature shrubs were collected in late fall 2010 and winter and spring 2011. Polychlorinated biphenyls were detected in the collected leaves, suggesting that rhododendron can be used as air passive samplers in rural areas where active sampling is impractical. Estimated ΣPCB (47 congeners) concentrations in the atmosphere decreased from fall 2010 to spring 2011 with concentration means at 3990 pg m(-3) , 2850 pg m(-3) , and 931 pg m(-3) in fall 2010, winter 2011, and spring 2011, respectively. These results indicate that the atmospheric concentrations at this location continue to be high despite termination of active discharge from the former industrial source. Leaves had a consistent pattern of high concentrations of tetra-CBs and penta-CBs similar to the congener distribution in polyethylene passive samplers deployed in the water column, suggesting that volatilized PCBs from the stream were the primary source of contaminants in rhododendron leaves. Environ Toxicol Chem 2016;35:2192-2198. © 2016 SETAC. PMID:26889751

  18. Syntheses,Crystal Structures and Fluorescence Properties of Two Triazolyl Derivatives with Biphenyl Links

    Institute of Scientific and Technical Information of China (English)

    LING Yun; LI Jing; HU Ai-Xi; ZHANG Lei

    2009-01-01

    Two novel triazolyl derivatives with biphenyl links,namely 4,4-bis(1,2,4-triazol-1-yl-methyl)biphenylene 1 and 4,4-bis(3,5-dimethyl-1,2,4-triazol-1-ylmethyl)biphenylene 2,have been synthesized and structurally characterized by single-crystal X-ray diffraction.Compounds 1·H2O·HCl and 2·2H2O·2HCl crystallize in the monoclinic system with spacegroup C2/c and P21/c,respectively.he dihedral angles of the two phenyl rings are 30.26(6)° in 1·H2O·HCl,while co-planar(0.00(7)°)in 2·2H2O·2HCl.In 1'H2O·HCl,the N-H…O hydrogen bonds link 1 to form chain-like structures which are further connected by O-H…Cl,C-H…Cl,C-H…O and π-π supramolecular interactions.The hydrogen bonds of O-H…Cl in 2·2H2O·2HCl provide distinguishing P/M helical chains along the baxis,and these chains are further connected by N-H…O hydrogen bonds to generate a 2D structure.Compounds 1 and 2 in methanol solution show much stronger emission bands at 319 nm than biphenyl at 3 16 nm under excitation at 260 nm.

  19. Anion-dependent construction of a series of fluorescent coordination polymers based on 1D zinc∩4,4‧-bis(imidazol-1-yl)-biphenyl substrates

    Science.gov (United States)

    Zou, Kang-Yu; Zou, Qian; Han, Tong; Liu, Yi-Chen; Wang, Jun-Jie; Zhang, Xue; Li, Zuo-Xi

    2016-03-01

    In this work, the rod-like ligand 4,4‧-bis(imidazol-1-yl)-biphenyl (bibp) has been utilized as a building block to carry out counterion effects on the structural diversities of coordination polymers. A series of new zinc complexes, [Zn(trans-bibp)Cl2]∞ (1), [Zn(trans-bibp)Br2]∞ (2), {[Zn(cis-bibp)(Ac)2]·(H2O)}∞ (3), [Zn(trans-bibp)SO4]∞ (4), {[Zn2(cis-bibp)2(ipa)2]·(H2O)}∞ (5, H2ipa=isophthalic acid) and {[Zn(trans-bibp)(cis-bibp)]·(ClO4)2(CHCl3)2(CH3OH)}∞ (6) have been successfully synthesized. Complexes 1 and 2 are iso-structural, which show a 1D W-type chain [Zn(trans-bibp)]∞. Complex 3 exhibits a 2D wave-like layer formed by the hydrogen bond among the 1D linear chain [Zn(cis-bibp)]∞. Complex 4 displays a 2D fish-bone lattice, which is generated from connecting the 1D W-type chain [Zn(trans-bibp)]∞ by the μ2-SO42- . Complex 5 presents an interesting 2D-3D 65·8 architecture, including two 1D chains [Zn(ipa)]∞ and [Zn(cis-bibp)]∞. Complex 6 demonstrates a 2D wave-like layer [Zn(trans-bibp)(cis-bibp)]∞. The structural diversities among 1-6 have been carefully discussed, and the role of counterion in the self-assembly of coordination polymer have also been well documented from the coordination affinity and bridging mode. Furthermore, the solid-state fluorescence properties of 1-6 at room temperature have been studied.

  20. Immobilisation of ligands by radio-derivatized polymers; Immobilisering av ligander med radioderiverte polymerer

    Energy Technology Data Exchange (ETDEWEB)

    Varga, J.M.; Fritsch, P.

    1995-01-30

    The invention relates to radio-derivatized polymers and a method of producing them by contacting non-polymerizable conjugands with radiolysable polymers in the presence of irradiation. The resulting radio-derivatized polymers can be further linked with ligand of organic or inorganic nature to immobilize such ligands. 2 figs., 5 tabs.

  1. Highly efficient red phosphorescent Ir(III) complexes for organic light- emitting diodes based on aryl(6-arylpyridin-3-yl)methanone ligands

    Energy Technology Data Exchange (ETDEWEB)

    Kang, Hyun Ju; Lee, Kum Hee [Department of Chemistry, Sungkyunkwan University, Suwon, 440-746 (Korea, Republic of); Lee, Seok Jae; Seo, Ji Hyun [Department of Information Display, Hongik University, Seoul 121-791 (Korea, Republic of); Kim, Young Kwan, E-mail: kimyk@wow.hongik.ac.kr [Department of Information Display, Hongik University, Seoul 121-791 (Korea, Republic of); Yoon, Seung Soo, E-mail: ssyoon@skku.edu [Department of Chemistry, Sungkyunkwan University, Suwon, 440-746 (Korea, Republic of)

    2011-07-29

    A series of phosphorescent Ir(III) complexes 1-4 were synthesized based on aryl(6-arylpyridin-3-yl)methanone ligands, and their photophysical and electroluminescent properties were characterized. Multilayer devices with the configuration, Indium tin oxide/4,4',4''-tris(N-(naphthalene-2-yl)-N-phenyl-amino)triphenylamine (60 nm)/4,4'-bis(N-(1-naphthyl)-N-phenylamino)biphenyl (20 nm)/Ir(III) complexes doped in N,N'-dicarbazolyl-4,4'-biphenyl (30 nm, 8%)/2,9-dimethyl-4,7-diphenyl-phenathroline (10 nm)/tris(8-hydroxyquinoline)-aluminum (20 nm)/lithium quinolate (2 nm)/ Al (100 nm), were fabricated. Among these, the device employing complex 2 as a dopant exhibited efficient red emission with a maximum luminance, luminous efficiency, power efficiency and quantum efficiency of 16200 cd/m{sup 2} at 14.0 V, 12.20 cd/A at 20 mA/cm{sup 2}, 4.26 lm/W and 9.26% at 20 mA/cm{sup 2}, respectively, with Commission Internationale de l'Enclairage coordinates of (0.63, 0.37) at 12.0 V.

  2. Highly efficient red phosphorescent Ir(III) complexes for organic light- emitting diodes based on aryl(6-arylpyridin-3-yl)methanone ligands

    International Nuclear Information System (INIS)

    A series of phosphorescent Ir(III) complexes 1-4 were synthesized based on aryl(6-arylpyridin-3-yl)methanone ligands, and their photophysical and electroluminescent properties were characterized. Multilayer devices with the configuration, Indium tin oxide/4,4',4''-tris(N-(naphthalene-2-yl)-N-phenyl-amino)triphenylamine (60 nm)/4,4'-bis(N-(1-naphthyl)-N-phenylamino)biphenyl (20 nm)/Ir(III) complexes doped in N,N'-dicarbazolyl-4,4'-biphenyl (30 nm, 8%)/2,9-dimethyl-4,7-diphenyl-phenathroline (10 nm)/tris(8-hydroxyquinoline)-aluminum (20 nm)/lithium quinolate (2 nm)/ Al (100 nm), were fabricated. Among these, the device employing complex 2 as a dopant exhibited efficient red emission with a maximum luminance, luminous efficiency, power efficiency and quantum efficiency of 16200 cd/m2 at 14.0 V, 12.20 cd/A at 20 mA/cm2, 4.26 lm/W and 9.26% at 20 mA/cm2, respectively, with Commission Internationale de l'Enclairage coordinates of (0.63, 0.37) at 12.0 V.

  3. Organotellurium ligands - designing and complexation reactions

    Indian Academy of Sciences (India)

    Ajai K Singh

    2002-08-01

    A variety of tellurium ligands has been designed and studied for their complexation reactions in the last decade. Of these hybrid telluroethers, halotellurium ligands and polytellurides are the most notable ones. RTe- and polytelluride ions have also been used to design clusters. Ligation of ditelluroethers and several hybrid telluroethers is extensively studied in our laboratories. The ditelluroether ligand RTeCH2TeR (where R = 4-MeOC6H4) (1), similar to dppm [1,2-bis(diphenylphosphino) methane], has been synthesized in good yield (∼80 %) by reacting CHCl3 with RTe- (generated in situ by borohydride reduction of R2Te2). Iodine reacts with 1 to give tetra-iodo derivative, which has intermolecular Te$\\cdots$I interactions resulting in a macro structure containing rectangular Te-I$\\cdots$Te bridges. 1 readily forms four membered rings with Pd(II) and Ru(II). On the formation of this chelate ring, the signal in 125Te NMR spectra shifts significantly upfield (50-60 ppm). The bridging mode of 1 has been shown in [Ru(-cymene)Cl2](-1)[Ru(-cymene)Cl2]. The hybrid telluroether ligands explored are of the types (Te, S), (Te, N) and (Te, O). The tellurium donor site has strong trans influence, which is manifested more strongly in square planar complexes of palladium(II). The morpholine N-donor site has been found to have weaker donor characteristics in (Te, N) ligands than pyridine and alkylamine donor sites of analogous ligands. The singlet oxygen readily oxidises the coordinated Te. This oxidation follows first order kinetics. The complexation reaction of RuCl3.H2O with N-[2-(4-methoxyphenyltelluro)ethyl]phthalimide (2) results in a novel (Te, N, O)-heterocycle, Te-chloro,Te-anisyl-1a-aza-4-oxa-3-tellura-1H, 2H, 4aH-9 fluorenone. The (Te, O) ligands can be used as hemilabile ligands, the oxygen atom temporarily protects the vacant coordination site before the arrival of the substrate. The chelate shifts observed in 125Te NMR spectra of metal complexes of Te-ligands have

  4. Cytochrome P4501A induction in avian hepatocyte cultures exposed to polychlorinated biphenyls: Comparisons with AHR1-mediated reporter gene activity and in ovo toxicity

    International Nuclear Information System (INIS)

    Avian-specific toxic equivalency factors (TEFs) were developed by the World Health Organization to simplify environmental risk assessments of dioxin-like compounds (DLCs), but TEFs do not account for differences in the toxic and biochemical potencies of DLCs among species of birds. Such variability may be due to differences in species sensitivity to individual DLCs. The sensitivity of avian species to DLCs was recently associated with the identity of amino acids 324 and 380 in the aryl hydrocarbon receptor 1 (AHR1) ligand binding domain. A luciferase reporter gene (LRG) assay, measuring AHR1-mediated induction of a cytochrome P450 1A5 (CYP1A5) reporter gene, in combination with a species' AHR1 ligand binding domain sequence, were also shown to predict avian species sensitivity to polychlorinated biphenyls (PCBs) and PCB relative potency in a given species. The goals of the present study were to (1) characterize the concentration-dependent effects of 2,3,7,8-tetrachlorodibenzo-p-dioxin and PCBs 126, 77, 105 and 118 on induction of ethoxyresorufin O-deethylase (EROD) activity and CYP1A4/5 mRNA in chicken, ring-necked pheasant and Japanese quail embryo hepatocytes and (2) compare these in vitro results to those previously generated by the LRG assay and in ovo toxicity studies. EROD activity and CYP1A4/5 mRNA expression data support and complement the findings of the LRG assay. CYP1A enzyme activity and mRNA expression were significantly correlated both with luciferase activity and in ovo toxicity induced by PCBs. Relative potency values were generally similar between the LRG and EROD assays and indicate that the relative potency of some PCBs may differ among species. -- Highlights: ► The chicken isn't the most sensitive species to CYP1A induction by PCB 105 and 118. ► The relative potency of PCBs differs between avian species. ► EROD activity was correlated with luciferase activity from the LRG assay. ► EROD activity was a better predictor of toxicity than CYP

  5. Sliding tethered ligands add topological interactions to the toolbox of ligand-receptor design

    Science.gov (United States)

    Bauer, Martin; Kékicheff, Patrick; Iss, Jean; Fajolles, Christophe; Charitat, Thierry; Daillant, Jean; Marques, Carlos M.

    2015-09-01

    Adhesion in the biological realm is mediated by specific lock-and-key interactions between ligand-receptor pairs. These complementary moieties are ubiquitously anchored to substrates by tethers that control the interaction range and the mobility of the ligands and receptors, thus tuning the kinetics and strength of the binding events. Here we add sliding anchoring to the toolbox of ligand-receptor design by developing a family of tethered ligands for which the spacer can slide at the anchoring point. Our results show that this additional sliding degree of freedom changes the nature of the adhesive contact by extending the spatial range over which binding may sustain a significant force. By introducing sliding tethered ligands with self-regulating length, this work paves the way for the development of versatile and reusable bio-adhesive substrates with potential applications for drug delivery and tissue engineering.

  6. A new class of PN3-pincer ligands for metal–ligand cooperative catalysis

    KAUST Repository

    Li, Huaifeng

    2014-12-01

    Work on a new class of PN3-pincer ligands for metal-ligand cooperative catalysis is reviewed. While the field of the pyridine-based PN3-transition metal pincer complexes is still relatively young, many important applications of these complexes have already emerged. In several cases, the PN3-pincer complexes for metal-ligand cooperative catalysis result in significantly improved or unprecedented activities. The synthesis and coordination chemistry of PN3-pincer ligands are briefly summarized first to cover the synthetic routes for their preparation, followed by a focus review on their applications in catalysis. A specific emphasis is placed on the later section about the role of PN3-pincer ligands\\' dearomatization-rearomatization steps during the catalytic cycles. The mechanistic insights from density functional theory (DFT) calculations are also discussed.

  7. Impact of receptor clustering on ligand binding

    Directory of Open Access Journals (Sweden)

    Caré Bertrand R

    2011-03-01

    Full Text Available Abstract Background Cellular response to changes in the concentration of different chemical species in the extracellular medium is induced by ligand binding to dedicated transmembrane receptors. Receptor density, distribution, and clustering may be key spatial features that influence effective and proper physical and biochemical cellular responses to many regulatory signals. Classical equations describing this kind of binding kinetics assume the distributions of interacting species to be homogeneous, neglecting by doing so the impact of clustering. As there is experimental evidence that receptors tend to group in clusters inside membrane domains, we investigated the effects of receptor clustering on cellular receptor ligand binding. Results We implemented a model of receptor binding using a Monte-Carlo algorithm to simulate ligand diffusion and binding. In some simple cases, analytic solutions for binding equilibrium of ligand on clusters of receptors are provided, and supported by simulation results. Our simulations show that the so-called "apparent" affinity of the ligand for the receptor decreases with clustering although the microscopic affinity remains constant. Conclusions Changing membrane receptors clustering could be a simple mechanism that allows cells to change and adapt its affinity/sensitivity toward a given stimulus.

  8. Levels of Polychlorinated Dibenzo-p-Dibenzofurans, and Biphenyls in Southern Mississippi Catfish and Estimation of Potential.

    Science.gov (United States)

    Fish consumption has been classified as one of the primary pathways of exposure to polychlorinated dibenzo-p-dioxins, dibenzofurans (PCDD/Fs) and biphenyls (PCBs). In this study, we evaluated tissue levels of the 17 laterally-substituted PCDD/Fs, 12 dioxin-like PCBs, and 97 non-...

  9. Polychlorinated biphenyls (PCBs) in indoor air originating from sealants in contaminated and uncontaminated apartments within the same housing estate

    DEFF Research Database (Denmark)

    Frederiksen, Marie; Meyer, Harald William; Ebbehøj, Niels Erik;

    2012-01-01

    Twenty-four congeners of polychlorinated biphenyls (PCBs) were measured in 83 air samples and 20 elastic sealants samples of apartments with PCB-containing sealants. In addition, PCBs were measured in 21 air samples from reference apartments located in an uncontaminated section of the same estate...

  10. The Relationship between Prenatal and Postnatal Exposure to Polychlorinated Biphenyls (PCBs) and Cognitive, Neuropsychological, and Behavioral Deficits: A Critical Appraisal

    Science.gov (United States)

    Cicchetti, Domenic V.; Kaufman, Alan S.; Sparrow, Sara S.

    2004-01-01

    Our purpose in this report is to evaluate scientifically that body of literature relating the effects of prenatal and postnatal exposure to polychlorinated biphenyls (PCBs) upon neurobehavioral, health-related, and cognitive deficits in neonates, developing infants, children, and adults. The data derive from seven cohorts: six cohorts of mothers…

  11. Determination of in vitro relative potency (REP) values for mono-ortho polychlorinated biphenyls after purification with active charcoal

    NARCIS (Netherlands)

    Peters, A.K.; Leonards, P.E.G.; Zhao, B.; Bergman, A.; Denison, M.S.; Berg, van den M.

    2006-01-01

    The TEF system for dioxin-like compounds has included assignment of TEF values for mono-ortho polychlorinated biphenyls (MO-PCBs). Small traces of aryl hydrocarbon receptor (AhR)-active impurities could result in artifactually higher relative potency (REP) values. MO-PCBs -105, -118, -156, and -167

  12. Environmental exposure to polychlorinated biphenyls (PCBs) and dioxins - Consequences for longterm neurological and cognitive development of the child. A Review

    NARCIS (Netherlands)

    Boersma, ER

    2001-01-01

    Polychlorinated biphenyl's (PCBs) and dioxins are environmental pollutants. Calculated on a body weight basis, prenatally as well as postnatally through breast-feeding, large amounts are transferred from mother to the child. Formula is free of these substances. Considering their potential developmen

  13. (Biphenyl-2-yl)bromidobis(2-methyl­tetra­hydro­furan-κO)magnesium(II)

    OpenAIRE

    Michael Bolte; D. Wohlgemuth; Simon Nordschild

    2009-01-01

    In the title Grignard reagent, [MgBr(C12H9)(C5H10O)2], the Mg centre adopts a distorted tetrahedral MgCO2Br arrangement. The dihedral angle between the two aromatic rings of the biphenyl residue is 44.00 (14)°. Each molecule incorporates one R- and one S-configured 2-methyltetrahydrofuran molecule.

  14. 21 CFR 500.45 - Use of polychlorinated biphenyls (PCB's) in the production, handling, and storage of animal feed.

    Science.gov (United States)

    2010-04-01

    ..., including: Aroclor (United States); Phenoclor (France); Colphen (Germany); and Kanaclor (Japan). PCB's are... persistent and ubiquitous contaminant in the environment, causing the contamination of certain foods. In... 21 Food and Drugs 6 2010-04-01 2010-04-01 false Use of polychlorinated biphenyls (PCB's) in...

  15. 21 CFR 509.15 - Use of polychlorinated biphenyls (PCB's) in establishments manufacturing food-packaging materials.

    Science.gov (United States)

    2010-04-01

    ... establishments manufacturing food-packaging materials. 509.15 Section 509.15 Food and Drugs FOOD AND DRUG... UNAVOIDABLE CONTAMINANTS IN ANIMAL FOOD AND FOOD-PACKAGING MATERIAL General Provisions § 509.15 Use of polychlorinated biphenyls (PCB's) in establishments manufacturing food-packaging materials. (a)......

  16. ASSESSMENT OF PCDDS (POLYCHLORINATED DIBENZODIOXINS) AND PCDFS (POLYCHLORINATED DIBENZOFURANS) FROM PCB (POLYCHLORINATED BIPHENYL'S) TRANSFORMER AND CAPACITOR FIRES

    Science.gov (United States)

    The EPA, under the Toxic Substances Control Act, has been mandated to develop appropriate regulations for the control of exposure to polychlorinated biphenyls (PCBs). In light of this responsibility the EPA Office of Toxic Substances recently issued an Advance Notice of Proposed ...

  17. Kinetics and conductivity parameters of uptake and transport of polychlorinated biphenyls in the Caco-2 intestinal cell line model

    NARCIS (Netherlands)

    Dulfer, W.J.; Govers, H.A.J.; Groten, J.P.

    1998-01-01

    Most of the accumulation of polychlorinated biphenyls (PCBs) over the food chain can be attributed to contaminant uptake from food. The effect of fatty acid absorption on net uptake and transport fluxes of a selection of 14 PCBs over the organismal gut epithelium has been determined in monolayers of

  18. Effect of Quercetin on Haematobiochemical and Histological Changes in the Liver of Polychlorined Biphenyls-Induced Adult Male Wistar Rats

    OpenAIRE

    Kandaswamy Selvakumar; Senthamilselvan Bavithra; Sekaran Suganya; Firdous Ahmad Bhat; Gunasekaran Krishnamoorthy; Jagadeesan Arunakaran

    2013-01-01

    Polychlorinated biphenyls exposure damages the rat liver cells. Hematological parameters such as hemoglobin, packed cell volume, red-blood cells, white-blood cells, neutrophils, platelet counts, and RBC indices were significantly decreased. Polymorphs, eosinophil counts, and erythrocyte sedimentation rate were significantly increased. Serum liver enzymes such as aspartate transaminase, alanine transaminase, alkaline phosphatase, and gamma-glutamyl transferase were increased by PCBs treatment....

  19. First worldwide UNEP interlaboratory study on persistent organic pollutants (POPs) with data on polychlorinated biphenyls and organochlorine pesticides

    NARCIS (Netherlands)

    Leeuwen, van S.P.J.; Bavel, van B.; Boer, de J.

    2013-01-01

    The first worldwide interlaboratory study on persistent organic pollutants (POPs) under the Stockholm Convention was organized, with a participation of 103 laboratories from Asia, Europe, the Americas, Africa and Australia, of which the majority submitted data on polychlorinated biphenyls (PCBs) and

  20. Determination of levels of polychlorinated biphenyls (PCBs) present in caulk and window glazing material samples from older buildings

    Science.gov (United States)

    Levels of polychlorinated biphenyls (PCBs) in caulk and window glazing material samples from older buildings were determined, using a method developed for this purpose. This method was evaluated by analyzing a combination of 47 samples of caulk, glazing materials, including quali...

  1. Ligand identification using electron-density map correlations

    International Nuclear Information System (INIS)

    An automated ligand-fitting procedure is applied to (Fo − Fc)exp(iϕc) difference density for 200 commonly found ligands from macromolecular structures in the Protein Data Bank to identify ligands from density maps. A procedure for the identification of ligands bound in crystal structures of macromolecules is described. Two characteristics of the density corresponding to a ligand are used in the identification procedure. One is the correlation of the ligand density with each of a set of test ligands after optimization of the fit of that ligand to the density. The other is the correlation of a fingerprint of the density with the fingerprint of model density for each possible ligand. The fingerprints consist of an ordered list of correlations of each the test ligands with the density. The two characteristics are scored using a Z-score approach in which the correlations are normalized to the mean and standard deviation of correlations found for a variety of mismatched ligand-density pairs, so that the Z scores are related to the probability of observing a particular value of the correlation by chance. The procedure was tested with a set of 200 of the most commonly found ligands in the Protein Data Bank, collectively representing 57% of all ligands in the Protein Data Bank. Using a combination of these two characteristics of ligand density, ranked lists of ligand identifications were made for representative (Fo − Fc)exp(iϕc) difference density from entries in the Protein Data Bank. In 48% of the 200 cases, the correct ligand was at the top of the ranked list of ligands. This approach may be useful in identification of unknown ligands in new macromolecular structures as well as in the identification of which ligands in a mixture have bound to a macromolecule

  2. Determination of selected polychlorinated biphenyls in soil and earthworm (Eisenia fetida) using a QuEChERS-based method and gas chromatography with tandem MS.

    Science.gov (United States)

    He, Zeying; Wang, Lu; Peng, Yi; Luo, Ming; Wang, Wenwen; Liu, Xiaowei

    2015-11-01

    Soil and earthworms are important objects in soil pollution assessment and environmental behavior and toxicity study for polychlorinated biphenyls. Accelerated solvent extraction and solid-phase extraction are generally required for the extraction and clean-up of polychlorinated biphenyls in soil and earthworm, which are tedious and time-consuming. In this work, a modified QuEChERS (quick, easy, cheap, effective, rugged, and safe) procedure combined with gas chromatography and triple quadrupole mass spectrometry was developed for the determination of 20 selected polychlorinated biphenyl congeners in soil and earthworm. Different extraction times, solvents, and clean-up adsorbents were compared and optimized. The average recoveries from spiked soils ranged between 70 and 120% with satisfactory relative standard deviations for all the polychlorinated biphenyls. In earthworm, the recoveries of polychlorinated biphenyls 180, 183, and 189 were relatively low (< 70% in some spiking levels) compared to that of the other polychlorinated biphenyls. The limits of quantification were in the range of 0.01-0.05 ng/g. The method was successfully applied to the analysis of 66 agricultural soils. To our knowledge, a combined method based on QuEChERS for the determination of polychlorinated biphenyls in soil and earthworms has not been published before. The procedure proved to be simple, sensitive, efficient, and environmentally friendly. PMID:26332829

  3. Effects of PPARγ Ligands on Leukemia

    Directory of Open Access Journals (Sweden)

    Yoko Tabe

    2012-01-01

    Full Text Available Peroxisome proliferator-activated receptors (PPARs and retinoic acid receptors (RARs, members of the nuclear receptor superfamily, are transcription factors that regulate a variety of important cellular functions. PPARs form heterodimers retinoid X receptor (RXR, an obligate heterodimeric partner for other nuclear receptors. Several novel links between retinoid metabolism and PPAR responses have been identified, and activation of PPAR/RXR expression has been shown to increase response to retinoids. PPARγ has emerged as a key regulator of cell growth and survival, whose activity is modulated by a number of synthetic and natural ligands. While clinical trials in cancer patients with thiazolidinediones (TZD have been disappointing, novel structurally different PPARγ ligands, including triterpenoids, have entered clinical arena as therapeutic agents for epithelial and hematopoietic malignancies. Here we shall review the antitumor advances of PPARγ, alone and in combination with RARα ligands in control of cell proliferation, differentiation, and apoptosis and their potential therapeutic applications in hematological malignancies.

  4. Flexible Ligand Docking Using Evolutionary Algorithms

    DEFF Research Database (Denmark)

    Thomsen, Rene

    2003-01-01

    search spaces effectively and is one of the commonly used methods for flexible ligand docking. During the last decade, several EAs using different variation operators have been introduced, such as the ones provided with the AutoDock program. In this paper we evaluate the performance of different EA......The docking of ligands to proteins can be formulated as a computational problem where the task is to find the most favorable energetic conformation among the large space of possible protein–ligand complexes. Stochastic search methods such as evolutionary algorithms (EAs) can be used to sample large...... settings such as choice of variation operators, population size, and usage of local search. The comparison is performed on a suite of six docking problems previously used to evaluate the performance of search algorithms provided with the AutoDock program package. The results from our investigation confirm...

  5. Flexible Ligand Docking Using Differential Evolution

    DEFF Research Database (Denmark)

    Thomsen, René

    2003-01-01

    Molecular docking of biomolecules is becoming an increasingly important part in the process of developing new drugs, as well as searching compound databases for promising drug candidates. The docking of ligands to proteins can be formulated as an optimization problem where the task is to find the...... most favorable energetic conformation among the large space of possible protein-ligand complexes. Stochastic search methods, such as evolutionary algorithms (EAs), can be used to sample large search spaces effectively and is one of the preferred methods for flexible ligand docking. The differential...... evolution algorithm (DE) is applied to the docking problem using the AutoDock program. The introduced DockDE algorithm is compared with the Lamarckian GA (LGA) provided with AutoDock, and the DockEA previously found to outperform the LGA. The comparison is performed on a suite of six commonly used docking...

  6. Polychlorinated biphenyls, glycaemia and diabetes in a population living in a highly polychlorinated biphenyls-polluted area in northern Italy: a cross-sectional and cohort study

    Directory of Open Access Journals (Sweden)

    Claudia Zani

    2013-05-01

    Full Text Available Background. Polychlorinated biphenyls (PCBs have been found to be associated with diabetes in some, but not all, studies performed so far. The aim of this study was to assess the association between PCB serum levels and glycaemia and diabetes in people living in Brescia, a highly industrialised PCB-polluted town in Northern Italy. Design and Methods. 527 subjects were enrolled in a cross-sectional population-based study: they were interviewed face-to-face in 2003 and also provided a blood sample under fasting conditions. The concentration of 24 PCB congeners was determined using gas-chromatography (GC/MS. Subsequently, all subjects were included in a follow-up (cohort study. According to the Local Health Authority health-care database, subjects were considered to be diabetic if they had diabetes at interview time (prevalent cases or during a 7-year follow-up (incident cases. Results. A total of 53 subjects (10.0% were diabetics: 28 had dia- betes at enrolment and other 25 developed the disease subsequently. Diabetes frequency increased according to the serum concentrations of total PCBs and single PCB congeners, but no association was found when estimates were adjusted for education, body mass index, age and gender by logistic regression analysis. Accordingly, glycaemia increased with PCB serum levels, but no association was observed when multiple regression analysis, including confounding factors, was performed. Conclusions. This study does not support the hypothesis that PCB environmental exposure is strictly associated with diabetes or glycaemia.

  7. Supramolecular architectures constructed using angular bipyridyl ligands

    International Nuclear Information System (INIS)

    This work details the synthesis and characterization of a series of coordination frameworks that are formed using bidentate angular N-donor ligands. Pyrimidine was reacted with metal(ll) nitrate salts. Reactions using Cd(NO3)2 receive particular focus and the analogous reactions using the linear ligand, pyrazine, were studied for comparison. In all cases, two-dimensional coordination networks were prepared. Structural diversity is observed for the Cd(ll) centres including metal-nitrate bridging. In contrast, first row transition metal nitrates form isostructural one-dimensional chains with only the bridging N-donor ligands generating polymeric propagation. The angular ligand, 2,4-bis(4-pyridyl)-1,3,5-triazine (dpt), was reacted with Cd(NO3)2 and Zn(NO3)2. Whereas Zn(NO3)2 compounds exhibit solvent mediated polymorphism, a range of structures were obtained for the reactions with Cd(NO3)2, including the first example of a doubly parallel interpenetrated 4.82 net. 4,7-phenanthroline, was reacted with various metal(ll) nitrates as well as cobalt(ll) and copper(ll) halides. The ability of 4,7-phenanthroline to act as both a N-donor ligand and a hydrogen bond acceptor has been discussed. Reactions of CuSCN with pyrimidine yield an unusual three-dimensional structure in which polymeric propagation is not a result of ligand bridging. The reaction of CuSCN with dpt yielded structural supramolecular isomers. (author)

  8. The first scorpionate ligand based on diazaphosphole.

    Science.gov (United States)

    Mlateček, Martin; Dostál, Libor; Růžičková, Zdeňka; Honzíček, Jan; Holubová, Jana; Erben, Milan

    2015-12-14

    The reaction of PhBCl2 with 1H-1,2,4-λ(3)-diazaphosphole in the presence of NEt3 gives a new scorpionate ligand, phenyl-tris(1,2,4-diazaphospholyl)borate (PhTdap). The coordination behaviour of this ligand toward transition and non-transition metals has been comprehensively studied. In the thallium(I) complex, Tl(PhTdap), κ(2)-N,N bonding supported with intramolecular η(3)-phenyl coordination has been observed in the solid state. Tl(PhTdap) also shows unusual intermolecular π-interactions between five-membered diazaphosphole rings and the thallium atom giving infinite molecular chains in the crystal. In the square planar complex [Pd(C,N-C6H4CH2NMe2)(PhTdap)], κ(2)-bonded scorpionate has been detected in both solution and in the solid state. For other studied compounds with the central metal ion Ti(IV), Mo(II), Mn(I), Fe(II), Ru(II), Co(II), Co(III), Ni(II) and Cd(II), the κ(3)-N,N,N coordination pattern was observed. Electronic properties of PhTdap and its ligand-field strength were elucidated from UV-Vis spectra of transition-metal species. The CH/P replacement on going from tris(pyrazolyl)borate to the ligand PhTdap causes a slight increase in electronic density rendered to the central metal atom. The following order of ligand-field strength has been established: HB(3,5-Me2pz)3 PhB(pz)3 PhB(1,2,4-triazolyl) < PhTdap. The crystal structures of ten metal complexes bearing the new ligand are reported. The possibility of PhTdap coordination through the phosphorus atom is also briefly discussed. PMID:26537349

  9. Biphenyl 4-Hydroxylases Involved in Aucuparin Biosynthesis in Rowan and Apple Are Cytochrome P450 736A Proteins.

    Science.gov (United States)

    Sircar, Debabrata; Gaid, Mariam M; Chizzali, Cornelia; Reckwell, Dennis; Kaufholdt, David; Beuerle, Till; Broggini, Giovanni A L; Flachowsky, Henryk; Liu, Benye; Hänsch, Robert; Beerhues, Ludger

    2015-06-01

    Upon pathogen attack, fruit trees such as apple (Malus spp.) and pear (Pyrus spp.) accumulate biphenyl and dibenzofuran phytoalexins, with aucuparin as a major biphenyl compound. 4-Hydroxylation of the biphenyl scaffold, formed by biphenyl synthase (BIS), is catalyzed by a cytochrome P450 (CYP). The biphenyl 4-hydroxylase (B4H) coding sequence of rowan (Sorbus aucuparia) was isolated and functionally expressed in yeast (Saccharomyces cerevisiae). SaB4H was named CYP736A107. No catalytic function of CYP736 was known previously. SaB4H exhibited absolute specificity for 3-hydroxy-5-methoxybiphenyl. In rowan cell cultures treated with elicitor from the scab fungus, transient increases in the SaB4H, SaBIS, and phenylalanine ammonia lyase transcript levels preceded phytoalexin accumulation. Transient expression of a carboxyl-terminal reporter gene construct directed SaB4H to the endoplasmic reticulum. A construct lacking the amino-terminal leader and transmembrane domain caused cytoplasmic localization. Functional B4H coding sequences were also isolated from two apple (Malus × domestica) cultivars. The MdB4Hs were named CYP736A163. When stems of cv Golden Delicious were infected with the fire blight bacterium, highest MdB4H transcript levels were observed in the transition zone. In a phylogenetic tree, the three B4Hs were closest to coniferaldehyde 5-hydroxylases involved in lignin biosynthesis, suggesting a common ancestor. Coniferaldehyde and related compounds were not converted by SaB4H. PMID:25862456

  10. Cationic ruthenium alkylidene catalysts bearing phosphine ligands

    OpenAIRE

    Endo, Koji; Grubbs, Robert H.

    2016-01-01

    The discovery of highly active catalysts and the success of ionic liquid immobilized systems have accelerated attention to a new class of cationic metathesis catalysts. We herein report the facile syntheses of cationic ruthenium catalysts bear-ing bulky phosphine ligands. Simple ligand exchange using silver(I) salts of non-coordinating or weakly coordinating anions pro-vided either PPh3 or chelating Ph2P(CH2)nPPh2 (n = 2 or 3) ligated cationic catalysts. The structures of these newly reported...

  11. Ligand Intermediates in Metal-Catalyzed Reactions

    Energy Technology Data Exchange (ETDEWEB)

    Gladysz, John A.

    1999-07-31

    The longest-running goal of this project has been the synthesis, isolation, and physical chemical characterization of homogeneous transition metal complexes containing ligand types believed to be intermediates in the metal-catalyzed conversion of CO/H{sub 2}, CO{sub 2}, CH{sub 4}, and similar raw materials to organic fuels, feedstocks, etc. In the current project period, complexes that contain unusual new types of C{sub x}(carbide) and C{sub x}O{sub y} (carbon oxide) ligands have been emphasized. A new program in homogeneous fluorous phase catalysis has been launched as described in the final report.

  12. Persistent organochlorine residues and toxic evaluation of polychlorinated biphenyls in sharks from the Mediterranean Sea (Italy).

    Science.gov (United States)

    Storelli, M M; Marcotrigiano, G O

    2001-12-01

    Persistent organochlorines such as polychlorinated biphenyls including coplanar congeners, DDT compounds and HCB were measured in different tissues (muscle, liver and eggs) of two Mediterranean shark species: namely Centrophorus granulosus and Squalus blainvillei. The concentrations of organochlorines in the tissues and organs of both species were in the order DDTs > PCBs > HCB. The highest values of DDTs, PCBs and HCB were found in liver followed by eggs and muscle. Among DDTs the compound found in greatest concentration was p,p'-DDE. The PCB profiles were dominated by congeners 138, 153, and 180. The isomers with higher TEQs values were non- and mono-ortho congeners than di-ortho ones in muscle, liver and eggs of both species. Among the non-ortho, PCB 126 was the major contributing individual to the total TEQs in both species. PMID:11827119

  13. Polychlorinated biphenyls alter expression of alpha-synuclein, synaptophysin and parkin in the rat brain

    DEFF Research Database (Denmark)

    Malkiewicz, Katarzyna; Mohammed, Roma; Folkesson, Ronnie;

    2006-01-01

    Polychlorinated Biphenyls (PCBs)-induced changes in synaptic transmission are one of the effects of their neurotoxicity but the mechanism remains unknown. We assessed the in vivo effects of the PCBs mixture, Aroclor 1254 on the expression of neuronal proteins that are involved in the synaptic...... function and/or are associated with neurodegeneration. Wistar rats were treated orally with repeated doses of Aroclor 1254 and the levels of soluble alpha-synuclein, parkin, synaptophysin and amyloid precursor protein (APP) in the brain were determined by Western blotting. The results showed that Aroclor...... did not cause changes in the expression and processing of APP but at a dose 100 microg/g/day repeated for 6 days caused a decrease in the expression of alpha-synuclein in the cerebellum, cortex, hippocampus and hypothalamus of the animals sacrificed 2 days after treatment. The decrease in alpha...

  14. Biphenyls from the Twigs of Garcinia multiflora and their AntiTobacco Mosaic Virus Activities

    Directory of Open Access Journals (Sweden)

    Xingmeng Xu

    2016-03-01

    Full Text Available For more bioactive compounds, p hytochemical investigations of the acetone extract of the twigs G arcinia multiflora resulted in the isolation of two new bipheny ls, multiflorabiphenyls A and B (1 and 2 , along with four known biphenyl derivatives (3-6 . Structural elucidations of 1 and 2 were performed by spectral methods such as 1D and 2D NMR spectroscopy, in addition to high resolution mass spectrometry. Compounds 1 and 2 were also evaluated for their anti-tobacco mosaic virus (Anti-TMV activity. The results showed that compound s 1 and 2 showed high anti-TMV activit ies with inhibition rate s of 25.4 % and 28.3%, respectively, which is close d to that of Ningnanmycin ( 3 3.5 %.

  15. Electrodialytic remediation of polychlorinated biphenyls contaminated soil with iron nanoparticles and two different surfactants

    DEFF Research Database (Denmark)

    Gomes, Helena I.; Dias-Ferreira, Celia; Ottosen, Lisbeth M.;

    2014-01-01

    Polychlorinated biphenyls (PCB) are persistent organic pollutants (POP) that strongly adsorb in soils and sediments. There is a need to develop new and cost-effective solutions for the remediation of PCB contaminated soils. The suspended electrodialytic remediation combined with zero valent iron...... nanoparticles (nZVI) could be a competitive alternative to the commonly adapted solutions of incineration or landfilling. Surfactants can enhance the PCB desorption, dechlorination, and the contaminated soil cleanup. In this work, two different surfactants (saponin and Tween 80) were tested to enhance PCB...... desorption and removal from a soil sampled at a polluted site, in a two-compartment cell where the soil was stirred in a slurry with 1% surfactant, 10mL of nZVI commercial suspension, and a voltage gradient of 1Vcm(-1). The highest PCB removal was obtained with saponin. Higher chlorinated PCB congeners...

  16. Biodegradation Of Persistent Organic Pollutants (POPs):I The Case Of Polychlorinated Biphenyls (PCB)

    International Nuclear Information System (INIS)

    Persistent organic pollutants are chemicals that are toxic to humans and wildlife, remain intact in the environment for long periods, accumulate in living organisms and can become widely distributed geographically by air, water or migrating species. As a result, these contaminants have been found all over the world including in places,such as the Polar Regions, which are very far from their application site. The Stockholm Convention was signed in 23/5/01 in order to cope with this international environmental problem. Although POPs were banned by most countries, there are still a lot of sites contaminated with these substances. The remediation of these sites is problematic and requires distinct considerations from those which are established for hydrocarbon remediation. This manuscript reviews the literature about anaerobic and aerobic biodegradation of polychlorinated biphenyls (PCB) and possible strategies to stimulate these processes. The degradation of the other POPs would be reviewed in additional texts.

  17. Spermatogenic capacity in fertile men with elevated exposure to polychlorinated biphenyls

    DEFF Research Database (Denmark)

    Petersen, Maria Skaalum; Halling, Jónrit; Weihe, Pál;

    2015-01-01

    BACKGROUND: Endocrine disrupting industrial chemicals, such as polychlorinated biphenyls (PCBs), are suspected to adversely affect male reproductive functions. OBJECTIVES: The Faroe Islands community exhibits an unusually wide range of exposures to dietary contaminants, and in this setting we...... examined the possible association between PCB exposure and semen quality and reproductive hormones in fertile Faroese men. METHODS: Participants in this cross-sectional study include 266 proven fertile men residing in the Faroe Islands. PCB levels and hormone profiles were measured in serum samples taken...... at the clinical examination that included semen quality parameters. RESULTS: A significant positive association was seen between serum-PCB and the testosterone/estradiol ratio (p=0.04). In the unadjusted analyses, elevated PCB exposure was associated with increased serum concentrations of SHBG (p=0...

  18. Organochlorine Pesticides (OCs) and Polychlorinated Biphenyls (PCBs) in Tilapia zillii from Lake El-Manzala, Egypt

    International Nuclear Information System (INIS)

    A fresh water fish species, (Tilapia zillii) from Lake El-Manzala was analyzed for concentrations of several Organochlorine pesticides (OCs) and Polychlorine piphenyl's (PCBs) in liver, gonads, mesenteric fat, flesh and the digestive tract in mature fish during the breeding season. Polychlorinated piphenyls (PCBs) and Organochloripe pesticides (OCs) were calculated in (ng/g) dry weight (dw) in homogenized samples. The obtained results revealed differences in lipid content between these different organs. The females showed higher lipid content than males. There was significant positive correlation the lipid content and organochlorines and polychlorinated biphenyls (PCBs). The results come concomitant with the lipophilicity of studied compounds. However, the recoded concentration of these studied pollutants still does not exceed international hazardous levels. (author)

  19. Polychlorinated biphenyl exposure and glucose metabolism in Danish children aged 9 years

    DEFF Research Database (Denmark)

    Jensen, Tina K; Timmermann, Clara Amalie Gade; Rossing, Laura I;

    2014-01-01

    Context: Human exposure to polychlorinated biphenyls (PCBs) has been associated to type 2 diabetes in adults. Objectives: To determine whether concurrent serum PCB concentration was associated with markers of glucose metabolism in healthy children. Design: Cross-sectional study. Settings and...... amounts available for PCB and analyses. Main outcome measures: Fasting plasma glucose and serum insulin were measured and a homeostasis assessment model of insulin resistance (HOMA-IR) and β-cell function (HOMA-B) calculated. Serum PCB congeners and other persistent compounds were measured and ΣPCB...... calculated. Results: PCBs were present in serum at low concentrations, median 0.19μ g/g lipid (interquartile range, IQR: 0.12-0.31). After adjustment for putative confounding factors, the second, third, fourth and fifth quintiles of total PCB were significantly inversely associated with serum insulin (-14...

  20. Temperature of hydrogen radio frequency plasma under dechlorination process of polychlorinated biphenyls

    Energy Technology Data Exchange (ETDEWEB)

    Inada, Y., E-mail: inada@hvg.t.u-tokyo.ac.jp; Abe, K.; Kumada, A.; Hidaka, K. [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Amano, K.; Itoh, K.; Oono, T. [R and D Center, Tokyo Electric Power Company, 4-1 Egasaki-cho, Tsurumi-ku, Yokohama 230-8510 (Japan)

    2014-10-27

    It has been reported that RF (radio frequency) hydrogen plasmas promote the dechlorination process of PCBs (polychlorinated biphenyls) under irradiation of MW (microwave). A relative emission intensity spectroscope system was used for single-shot imaging of two-dimensional temperature distributions of RF hydrogen plasmas generated in chemical solutions with several mixing ratios of isopropyl alcohol (IPA) and insulation oil under MW irradiation. Our experimental results showed that the plasma generation frequencies for the oil-contaminating solutions were higher than that for the pure IPA solution. In addition, the plasma temperature in the compound liquids including both oil and IPA was higher than that in the pure IPA and oil solutions. A combination of the plasma temperature measurements and plasma composition analysis indicated that the hydrogen radicals generated in a chemical solution containing the equal volumes of IPA and oil were almost the same amounts of H and H{sup +}, while those produced in the other solutions were mainly H.

  1. Exposure to 27 polychlorinated biphenyls in the indoor environment of a workplace

    DEFF Research Database (Denmark)

    Pedersen, Ellen Bøtker; Ebbehøj, N E; Göen, T;

    2016-01-01

    PURPOSE: To assess the exposure to a broad-spectrum of polychlorinated biphenyl congeners (PCBs) from the indoor environment through bio-monitoring of people working in a building with PCB-containing materials and elevated PCB levels in the indoor air. METHODS: A cross-sectional study comparing the...... plasma concentration of 27 PCB congeners in 15 people working in a PCB-contaminated building and 30 matched controls. RESULTS: Median concentration of eight low-chlorinated PCB congeners was significantly higher in the exposed than in the control group. The sum of median concentrations of tri + tetra......-chlorinated PCB was almost ten times higher in the exposed group than in the unexposed, and sums of dioxin-like and non-dioxin-like PCB were both relatively increased by 60 % in the exposed group. CONCLUSIONS: The occupational indoor environment may significantly add to PCB exposure, especially to the lower...

  2. Bis[2-(2,4-dinitrobenzylpyridinium] biphenyl-4,4′-disulfonate trihydrate

    Directory of Open Access Journals (Sweden)

    Graham Smith

    2010-05-01

    Full Text Available In the structure of the title salt, 2C12H10N3O4+·C12H8O6S22−·3H2O, determined at 173 K, the biphenyl-4,4′-disulfonate dianions lie across crystallographic inversion centres with the sulfonate groups interacting head-to-head through centrosymmetric cyclic bis(water-bridged hydrogen-bonding associations [graph set R44(11], forming chains. The 2-(2,4-dinitrobenzylpyridinium cations are linked to these chains through pyridinium–water N—H...O hydrogen bonds and a two-dimensional network is formed through water bridges between sulfonate and 2-nitro O atoms, while the structure also has weak cation–anion π–π aromatic ring interactions [minimum ring centroid separation = 3.8441 (13 Å].

  3. Chromatographic Retention Times of Polychlorinated Biphenyls: from Structural Information to Property Characterization

    Directory of Open Access Journals (Sweden)

    Mircea V. Diudea

    2006-11-01

    Full Text Available The paper presents a unitary approach of the use of a Molecular DescriptorsFamily in structure-property/activity relationships, particularly in modelling thechromatographic retention times of polychlorinated biphenyls. Starting from molecularstructure, viewed as a graph, and considering the bonds and bond types, atom types andoften the 3D geometry of the molecule, a huge family of molecular descriptors called MDFwas calculated. A preliminary selection of MDF members was done by simple linearregression (LR against the measured property. The best fitted MDF subset is thensubmitted to multivariate linear regression (MLR analysis in order to find the best pairs ofMDF members that produce a reliable QSPR (Quantitative Structure-PropertyRelationship model. The predictive capability was finally tested by randomly splitting ofdata into training and test sets. The best obtained models are presented and the results arediscussed.

  4. Distribution pattern and reduction of polychlorinated biphenyls (PCB) in bluefish fillets through adipose tissue removal

    Energy Technology Data Exchange (ETDEWEB)

    Sanders, M.; Haynes, B.L.

    1988-11-01

    Bluefish, Pomatomus saltatrix, a migratory pelagic species of fish usually travel in large groups of like size along the Atlantic coast. Bluefish of all sizes are caught both commercially and recreationally for human consumption. Owing to its predacious nature, bluefish feed throughout the water column on a large variety of smaller fish and invertebrates. Bluefish bioaccumulate contaminants such as polychlorinated biphenyls (PCB) into various adipose tissues from the water column and through the marine food chain. Two recent reports concluded that PCB concentrations for all except some of the large bluefish caught along the Atlantic coast fell below the limit of 2 ..mu..g/g set by FDA. The purpose of this study was to observe the distribution pattern of PCB in the various edible tissues. Further, it was to determine if the removal of adipose tissues would result in reduced PCB level and therefore decrease PCB exposure to the consumer.

  5. Problems with the polychlorinated biphenyls (PCB) in Mexico; Problematica de los bifenilos policlorados (BPC) en Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Valle, Esteban; Cruz, Maria Guadalupe [Instituto de Investigaciones Electricas, Cuernavaca (Mexico)

    1997-12-31

    A general overview is presented of the problems with the polychlorinated biphenyls (PCB) (askarels) in Mexico, which are mainly associated with the use of these substances in electric equipment; also, a profile of the causes why the PCBs have been classified as environmental toxic substances and a potential hazard for the health of human beings. [Espanol] Se presenta un panorama general de la problematica de bifenilos policlorados (BPC) (askareles) en Mexico, la cual esta asociada principalmente con el uso de estos compuestos en equipos electricos; asimismo, se describe una semblanza de las causas por las cuales se han catalogado a los BPC como sustancias toxicas ambientales y un peligro potencial para la salud de los seres humanos.

  6. Applications of ionizing radiation to the remediation of materials contaminated with heavy metals and polychlorinated biphenyls

    International Nuclear Information System (INIS)

    We have investigated the removal from water of heavy metals and chelated heavy metal compounds using electron beam and gamma radiation. Parameter analyses include the effect of dissolved oxygen and the influence of adding various buffers and radical scavengers. Complete removal (>99%) of mercury, lead and cadmium ions, both free and chelated within EDTA, was achieved using radiation doses ranging from 3-100 kGy. We have also studied the radiation induced degradation of polychlorinated biphenyls (PCBs) in aqueous-organic and aqueous micellar systems. Rates and extent of dechlorination have been quantified in different solution matrices; reaction by-products and intermediate species have been identified; and the influences of dissolved oxygen and pH have been evaluated. The presence of a carbonate buffer was observed to significantly enhance PCB dechlorination yields by reducing concentrations of H3O+. Ionizing radiation was effective in degrading PCBs in micellar solutions but scavenging of eaq- by the surfactant lowered reaction efficiencies

  7. Studies on the Quantitative Structure-activity Relationship of Substituted Biphenyls by Density Function Theory (DFT)

    Institute of Scientific and Technical Information of China (English)

    HAN Xiang-Yun; ZHENG Qing

    2007-01-01

    Geometrical configurations of 16 substituted biphenyls were computed at the B3LYP/6-311G** level with Gaussian 98 program. Based on linear solvation energy theory, lgKow as well as the structural and thermodynamic parameters obtained at this level was taken as theoretical descriptors, and corresponding equation predicting the toxicity of Daphnia magna (-lgEC50)was thus obtained, in which three parameters were contained, i.e., n-octanol/water partition coefficients (lgKow), dipole moment of the molecules (μ) and entropy (S°). For this equation, R2 =0.9582, q2 = 0.8921 and SD = 0.102. The absolute t-scores of three variables are larger than the standard one in the confidence range of 95%, which confirms the creditability and stability of this model.

  8. Polychlorinated biphenyl congeners in sediment cores from the Upper Mississippi River.

    Science.gov (United States)

    Martinez, Andres; Schnoebelen, Douglas J; Hornbuckle, Keri C

    2016-02-01

    We determined polychlorinated biphenyls (PCBs) and radionuclide (137)Cs in sediment cores from the Upper Mississippi River (UMR) and the Iowa River, Iowa, at their confluence. Vertical distribution of (137)Cs indicated negligible mixing in the UMR core, while the Iowa River core showed signs of mixing. A clear (137)Cs peak was found in the UMR core, which was correlated to 1963. The PCB vertical distribution in UMR core was similar to the historical trend in Aroclor production observed in Great Lakes cores, with a peak close to the (137)Cs peak, suggesting a date near 1960. In general, PCB congener profiles in both cores resembled the Iowa soil background signal. We concluded that despite evidence of mixing in the Iowa River core, both cores retain the PCB signature of historical and regional environmental exposure. Further, our results indicate that this iconic waterway has a long history of PCBs that reflects national production and use. PMID:26547030

  9. Distribution characteristics of polychlorinated biphenyls (PCBs) in coastal areas of Okinawa Island, Japan

    Science.gov (United States)

    Sheikh, M. A.; Nakama, F.; Oomori, T.

    2007-07-01

    Surface sediment and seawater samples were collected from coastal areas around Okinawa Island from September 2001 to May 2002. The samples were analyzed for total polychlorinated biphenyl (PCB) levels and homolog composition. The results show that total PCB levels ranged from 0.32 to 128.7 ng/g (dry wt.) in sediment and 1.59 to 2.48 ng/L in seawater. The levels exceed the Environmental Quality Standard (EQS) for water pollution of Japan. The distribution of PCB homolog showed different patterns in the sediments and seawaters. Penta-chlorobiphenyls (CBs) comprised the main congener group in seawater, while hexa-CBs were more abundant homologs in the sediments. The heavily contaminated sites featured higher CBs, including penta-CBs, hexa-CBs, and hepta-CBs, than those in less contaminated sites where tri-CBs dominated. This study provides current distribution and geochemical behavior of PCBs in the coastal areas around Okinawa Island.

  10. Persistent organochlorine residues and toxic evaluation of polychlorinated biphenyls in sharks from the Mediterranean Sea (Italy)

    Energy Technology Data Exchange (ETDEWEB)

    Storelli, M.M.; Marcotrigiano, G.O. [Bari Univ., Dip. Farmaco-Biologico, Bari (Italy)

    2001-07-01

    Persistent organochlorines such as polychlorinated biphenyls including coplanar congeners, DDT compounds and HCB were measured in different tissues (muscle, liver and eggs) of two Mediterranean shark species: namely Centrophorus granulosus and Squalus blainvillei. The concentrations of organochlorines in the tissues and organs of both species were in the order DDTs>PCBs>HCB. The highest values of DDTs, PCBs and HCB were found in liver followed by eggs and muscle. Among DDTs the compound found in greatest concentration was p,p -DDE. The PCB profiles were dominated by congeners 138, 153, and 180. The isomers with higher TEQs values were non- and mono-ortho congeners than di-ortho ones in muscle, liver and eggs of both species. Among the non-ortho, PCB 126 was the major contributing individual to the total TEQs in both species. (Author)

  11. A new biphenyl from Clusia melchiorii and a new tocotrienol from C. obdeltifolia

    Energy Technology Data Exchange (ETDEWEB)

    Teixeira, Josanaide S.R.; Moreira, Luciana de M.; Cruz, Frederico G. [Bahia Univ., Salvador, BA (Brazil). Inst. de Quimica]. E-mail: fguare@ufba.br; Guedes, Maria L. da S. [Bahia Univ., Salvador, BA (Brazil). Inst. de Biologia

    2006-08-15

    Chromatographic purification of the dichloromethane extract of Clusia melchiorii trunk leading to the isolation of a new biphenyl, 2,2-dimethyl-5-hydroxy-7-phenylchromene, along with the known compounds 2,2-dimethyl-5,10-dihydro-2H-benzo[g]chromene-5,10-dione (xyloidone), betulinic acid, friedelin, friedelinol, euphol, sitostenone, stigmastenone and a mixture of {beta}-sitosterol and stigmasterol. The hexane extract of Clusia obdeltifolia trunk yielded, after chromatographic fractionation, a new {delta}-tocotrienilic alcohol 2Z, 6E, 10E-13-(6-hydroxy- 2,8-dimethyl-3,4-dihydro-2H,2-chromenyl)-2,6,10-trimethyl- 2,6,10-tridecatrien-1-ol, along with 2Z and 2E-{delta}-tocotrienoloic acids, betulinic acid, betulonic acid, betunilic aldehyde, glutinol, friedelin, sitostenone and a mixture of {beta}-sitosterol and stigmasterol. Their structures were determined from spectral data and comparison with data from previously reported compounds. (author)

  12. A new biphenyl from Clusia melchiorii and a new tocotrienol from C. obdeltifolia

    International Nuclear Information System (INIS)

    Chromatographic purification of the dichloromethane extract of Clusia melchiorii trunk leading to the isolation of a new biphenyl, 2,2-dimethyl-5-hydroxy-7-phenylchromene, along with the known compounds 2,2-dimethyl-5,10-dihydro-2H-benzo[g]chromene-5,10-dione (xyloidone), betulinic acid, friedelin, friedelinol, euphol, sitostenone, stigmastenone and a mixture of β-sitosterol and stigmasterol. The hexane extract of Clusia obdeltifolia trunk yielded, after chromatographic fractionation, a new δ-tocotrienilic alcohol 2Z, 6E, 10E-13-(6-hydroxy- 2,8-dimethyl-3,4-dihydro-2H,2-chromenyl)-2,6,10-trimethyl- 2,6,10-tridecatrien-1-ol, along with 2Z and 2E-δ-tocotrienoloic acids, betulinic acid, betulonic acid, betunilic aldehyde, glutinol, friedelin, sitostenone and a mixture of β-sitosterol and stigmasterol. Their structures were determined from spectral data and comparison with data from previously reported compounds. (author)

  13. Atmospheric polychlorinated biphenyls in Indian cities: levels, emission sources and toxicity equivalents.

    Science.gov (United States)

    Chakraborty, Paromita; Zhang, Gan; Eckhardt, Sabine; Li, Jun; Breivik, Knut; Lam, Paul K S; Tanabe, Shinsuke; Jones, Kevin C

    2013-11-01

    Atmospheric concentration of Polychlorinated biphenyls (PCBs) were measured on diurnal basis by active air sampling during Dec 2006 to Feb 2007 in seven major cities from the northern (New Delhi and Agra), eastern (Kolkata), western (Mumbai and Goa) and southern (Chennai and Bangalore) parts of India. Average concentration of Σ25PCBs in the Indian atmosphere was 4460 (± 2200) pg/m(-3) with a dominance of congeners with 4-7 chlorine atoms. Model results (HYSPLIT, FLEXPART) indicate that the source areas are likely confined to local or regional proximity. Results from the FLEXPART model show that existing emission inventories cannot explain the high concentrations observed for PCB-28. Electronic waste, ship breaking activities and dumped solid waste are attributed as the possible sources of PCBs in India. Σ25PCB concentrations for each city showed significant linear correlation with Toxicity equivalence (TEQ) and Neurotoxic equivalence (NEQ) values. PMID:23954623

  14. Studies on biphenyl disulphonic acid doped polyanilines: Synthesis, characterization and electrochemistry

    Indian Academy of Sciences (India)

    Chepuri R K Rao; R Muthukannan; M Vijayan

    2012-06-01

    In this article, we report on the results obtained for the efforts we made to bring processability to the conducting polyaniline and substituted polyanilines by designing and synthesizing a new disulphonic acid with a biphenyl moiety as spacer group, viz. 4,4'-biphenyldisulphonic acid (BPSA). When doped, the disulphonic acid acts as a spacer group between the polyaniline chains and facilitates increase in solubility and conductivity. The spacing effect is maximized when BPSA is used as doping agent in in situ polymerization reactions. The conductivity of polyaniline doped by BPSA is 4 S/cm and for the substituted polyanilines it ranged from 2 × 10-5 to 8 × 10-4 S/cm.

  15. Distribution characteristics of polychlorinated biphenyls (PCBs) in coastal areas of Okinawa Island, Japan

    Institute of Scientific and Technical Information of China (English)

    2007-01-01

    Surface sediment and seawater samples were collected from coastal areas around Okinawa Island from September 2001 to May 2002. The samples were analyzed for total polychlorinated biphenyl (PCB) levels and homolog composition. The results show that total PCB levels ranged from 0.32 to 128.7 ng/g (dry wt.) in sediment and 1.59 to 2.48 ng/L in seawater. The levels exceed the Environmental Quality Standard (EQS) for water pollution of Japan. The distribution of PCB homolog showed different patterns in the sediments and seawaters. Penta-chlorobiphenyls (CBs) comprised the main congener group in seawater, while hexa-CBs were more abundant homologs in the sediments. The heavily contaminated sites featured higher CBs, including penta-CBs, hexa-CBs, and hepta-CBs, than those in less contaminated sites where tri-CBs dominated. This study provides current distribution and geochemical behavior of PCBs in the coastal areas around Okinawa Island.

  16. Automatic recognition of polychlorinated biphenyls in gas-chromatographic/mass spectrometric analysis

    International Nuclear Information System (INIS)

    A computer code for automatic recognition of mass spectra of polychlorinated biphenyls (PCBs) has been developed and used as a specific PCB detector in the gas-chromatographic/mass spectrometric analysis. The recognition is based on numerical features to be extracted from the mass spectrum. The code is in Fortran. The result of a classification are the so-called classification chromatograms for the particular groups of PCBs of equal chlorine number. The practical application has been tested on water- and waste oil samples, with PCBs added. The sensitivity is 0,5-1 ng for separate PCB components and 5-20 ng for technical PCD mixtures. 59 refs., 50 figs., 5 tabs. (qui)

  17. Polychlorinated biphenyl concentrations in adipose tissue and abdominal obesity in the elderly

    DEFF Research Database (Denmark)

    Bräuner, Elvira; Raaschou-Nielsen, Ole; Andersen, Zorana;

    2013-01-01

    cessation of smoking, but these do not fully explain the epidemic. Polychlorinated biphenyl congeners (PCBs) are endocrine-disrupting chemicals and evidence from animal experiments suggests an association with obesity development. Our knowledge of the effects of these compounds on weight gain in humans is...... PCBs as potential determinants of abdominal obesity. Adipose tissue was collected upon enrolment and PCBs were quantified using gas chromatography-mass spectroscopy. Median levels of the included PCBs were lower in women, except for PCB118 and all PCBs were positively associated with increased...... abdominal circumference, although this association was not significant. These data indicate a positive link between PCBs and obesity. More work is needed to fully elucidate the complex role of compounds such as PCBs in the present obesity epidemic....

  18. Effects of pesticides, polychlorinated biphenyls and metals on the growth and reproduction of Acanthamoeba castellanii

    Energy Technology Data Exchange (ETDEWEB)

    Prescott, L.M.; Kubovec, M.K.; Tryggestad, D.

    1977-07-01

    The effects of pollutants (pesticides, PCB and metals) were studied in the free-living amoeba, Acanthamoeba castellanii. Eight pesticides were used--the insecticides dieldrin, aldrin and sevin, and the herbicides linuron, stam F-34, IPC, atrazine and simazine. It was shown that the sensitivity of A. castellanii to pesticides varied greatly. The population growth was inhibited by linuron, stam F-34, IPC, sevin and atrazine at a level of 10 mg/l. The polychlorinated biphenyl, Arochor 1254, had no significant effect at a concentration of 0.01 mg/l (10 ppb). The studies with metal ions showed that A. castellanii was unaffected by moderately high levels of Cu and Zn, but was sensitive to the presence of Pb and mercuric ions.

  19. Dioxins, furans, and polychlorinated biphenyls in hen eggs – a new source of hazard for consumers?

    Directory of Open Access Journals (Sweden)

    Piskorska-Pliszczyńska Jadwiga

    2015-12-01

    Full Text Available The paper presents the results of testing eggs for the content of dioxins and polychlorinated biphenyls (PCBs, determination of the sources that caused the presence of high concentrations of these compounds which exceeded the acceptable contamination levels, and assessment of consumer health risk caused by the consumption of eggs with excessive contents of investigated compounds. In about 9% of free range eggs and 17% of organic eggs, the content of PCDD/Fs was two- or threefold higher than the acceptable limits, and in some samples the concentration of investigated compounds exceeded the maximum concentration levels. Based on the profile of the compounds, it was confirmed in several cases that their main source was the soil or unsecured refuse. The consumers of eggs and meat produced under these conditions constitute the risk groups, and their dioxin and PCB intake may exceed toxicological reference values.

  20. Contamination of soil, leaves and vegetables by polychlorinated biphenyls in Xiamen region, China

    Institute of Scientific and Technical Information of China (English)

    MASKAOUI Khalid; ZHOU Jun-liang; HAN Ya-li; HU Zhong; ZHENG Tian-ling; HONG Hua-sheng

    2005-01-01

    The paper aimed to identify the primary of polychlorinated biphenyls(PCBs) in the diulong River Estuary, investigate the spatial distribution of PCBs contamination in the environment, localize the atmospheric source and evaluate ongoing PCBs emissions by analyzing soil samples collected along the Jiulong River region. In addition, the accumulation of PCBs in the human food chain was quantified by analyzing leaf of orange trees and vegetable samples collected along a gradient of soil/atmospheric contamination moving away from the source. Consequently, the impact on the human health and the ecosystem was quantified, different management options were proposedto reduce this impact and to carry out research on organic contaminants along the Jiulong River and Xiamen region.

  1. Synthesis and Properties of a Novel Polyimide with Side Chain Containing Biphenyl Unit

    Institute of Scientific and Technical Information of China (English)

    WANG Xu; CHANG Tong-xin; ZHANG Peng; CHEN Yi; LIU Xiang-yang

    2012-01-01

    A novel biphenyl side-chained diamine with alkyloxy spacer and alkyloxy tail,4'-butoxy-4-(3,5-diami-nobenzoyloxy)hexyloxybiphenyl(C6BBC4),was synthesized and characterized by FTIR and 1H NMR.A series of polyimide(PI)films with different side chain contents was synthesized from biphenyltetracarboxylicdianhydride (BPDA),4,4'-oxydianiline(ODA)and C6BBC4,and their thermal properties,optical transparency and liquid crystal alignment property,and so on,were investigated by thermogravimetric analysis(TGA),differential scanning calorimetry(DSC),crystal rotation method,polarizing microscopy and UV-Vis spectra.With the content of side chained diamine increasing from 0 to 100%,the ηinh of poly(amide acid)(PAA)decreased rapidly from 3.0 to 0.51,the glass transition temperature(Tg)of polyimides(PIs)decreased from 274 ℃ to 203 ℃ and the Vis-light transmittance of alignment films substantially increased.As for the alignment properties,the pretilt angle of PI alignment films without rubbing could reach 90° when the content of C6BBC4 was 60% or more.At the same time,the alignment stability could meet the industrial requirements.It was considered that the alkoxy spacer,the biphenyl unit and the alkoxy tail may all play important roles in achieving a large pretilt angle even up to 90°,and the introduction of only the alkoxy spacer or alkoxy tail can also improve the pretilt angle,but not by much.

  2. Menstrual function among women exposed to polybrominated biphenyls: A follow-up prevalence study

    Directory of Open Access Journals (Sweden)

    Cameron Lorraine L

    2005-08-01

    Full Text Available Abstract Background Alteration in menstrual cycle function is suggested among rhesus monkeys and humans exposed to polybrominated biphenyls (PBBs and structurally similar polychlorinated biphenyls (PCBs. The feedback system for menstrual cycle function potentially allows multiple pathways for disruption directly through the hypothalamic-pituitary-ovarian axis and indirectly through alternative neuroendocrine axes. Methods The Michigan Female Health Study was conducted during 1997–1998 among women in a cohort exposed to PBBs in 1973. This study included 337 women with self-reported menstrual cycles of 20–35 days (age range: 24–56 years. Current PBB levels were estimated by exponential decay modeling of serum PBB levels collected from 1976–1987 during enrollment in the Michigan PBB cohort. Linear regression models for menstrual cycle length and the logarithm of bleed length used estimated current PBB exposure or enrollment PBB exposure categorized in tertiles, and for the upper decile. All models were adjusted for serum PCB levels, age, body mass index, history of at least 10% weight loss in the past year, physical activity, smoking, education, and household income. Results Higher levels of physical activity were associated with shorter bleed length, and increasing age was associated with shorter cycle length. Although no overall association was found between PBB exposure and menstrual cycle characteristics, a significant interaction between PBB exposures with past year weight loss was found. Longer bleed length and shorter cycle length were associated with higher PBB exposure among women with past year weight loss. Conclusion This study suggests that PBB exposure may impact ovarian function as indicated by menstrual cycle length and bleed length. However, these associations were found among the small number of women with recent weight loss suggesting either a chance finding or that mobilization of PBBs from lipid stores may be important

  3. Assessment of polychlorinated biphenyls and organochlorine pesticides in water samples from the Yamuna River

    Directory of Open Access Journals (Sweden)

    Bhupander Kumar

    2012-07-01

    Full Text Available Polychlorinated biphenyls (PCBs, hexachlorocyclohexane (HCH and dichlorodiphenyltrichloroethane (DDT are toxic, persistent and bioaccumulative long-range atmospheric transport pollutants. These are transported worldwide affecting remote regions far from their original sources, and can transfer into food webs with a wide range of acute and chronic health effects. India ratified the Stockholm Convention with the intention of reducing and eliminating persistent organic pollutants (POPs, and encouraged the support of research on POPs. Despite the ban and restriction on the use of these chemicals in India, their contamination of air, water, sediment, biota and humans has been reported. In this study, surface water samples were collected during January 2012 from the Yamuna River in Delhi, India, and analyzed for PCBs and organochlorine pesticides (OCPs. The concentrations of ΣPCBs and ΣOCPs ranged between 2-779 ng L–1 and from less than 0.1 to 618 ng L–1 (mean 99±38 ng L–1 and 221±50 ng L–1, respectively. The PCB homolog was dominated by 3-4 chlorinated biphenyls. In calculating the toxicity equivalent of dioxin-like PCBs (dl-PCBsusing World Health Organization toxic equivalency factors, dl-PCBs accounted for 10% of a total of 27 PCBs. The concentration of ΣHCH ranged between less than 0.1 and 285 ng L–1 (mean 151±32 ng L–1. However, ΣDDTs concentrations varied between less than 0.1 and 354 ng L–1 (mean 83±26 ng L–1. The concentrations were lower than the US guideline values; however, levels of lindane exceeded those recommended in guidelines. Further in-depth study is proposed to determine the bioaccumulation of these pollutants through aquatic biota to assess the risk of contaminants to human health.

  4. A versatile dinucleating ligand containing sulfonamide groups

    DEFF Research Database (Denmark)

    Sundberg, Jonas; Witt, Hannes; Cameron, Lisa;

    2014-01-01

    Copper, iron, and gallium coordination chemistries of the new pentadentate bis-sulfonamide ligand 2,6-bis(N-2-pyridylmethylsulfonamido)-4-methylphenol (psmpH3) were investigated. PsmpH3 is capable of varying degrees of deprotonation, and notably, complexes containing the fully trideprotonated...

  5. Supramolecular architectures constructed using angular bipyridyl ligands

    CERN Document Server

    Barnett, S A

    2003-01-01

    This work details the synthesis and characterization of a series of coordination frameworks that are formed using bidentate angular N-donor ligands. Pyrimidine was reacted with metal(ll) nitrate salts. Reactions using Cd(NO sub 3) sub 2 receive particular focus and the analogous reactions using the linear ligand, pyrazine, were studied for comparison. In all cases, two-dimensional coordination networks were prepared. Structural diversity is observed for the Cd(ll) centres including metal-nitrate bridging. In contrast, first row transition metal nitrates form isostructural one-dimensional chains with only the bridging N-donor ligands generating polymeric propagation. The angular ligand, 2,4-bis(4-pyridyl)-1,3,5-triazine (dpt), was reacted with Cd(NO sub 3) sub 2 and Zn(NO sub 3) sub 2. Whereas Zn(NO sub 3) sub 2 compounds exhibit solvent mediated polymorphism, a range of structures were obtained for the reactions with Cd(NO sub 3) sub 2 , including the first example of a doubly parallel interpenetrated 4.8 sup...

  6. Constitutive and ligand-induced TCR degradation

    DEFF Research Database (Denmark)

    von Essen, Marina; Bonefeld, Charlotte Menné; Siersma, Volkert;

    2004-01-01

    divergent models for TCR down-regulation and degradation have been suggested. The aims of this study were to determine the rate constants for constitutive and ligand-induced TCR degradation and to determine whether the TCR subunits segregate or are processed as an intact unit during TCR down-regulation and...

  7. Ligand iron catalysts for selective hydrogenation

    Science.gov (United States)

    Casey, Charles P.; Guan, Hairong

    2010-11-16

    Disclosed are iron ligand catalysts for selective hydrogenation of aldehydes, ketones and imines. A catalyst such as dicarbonyl iron hydride hydroxycyclopentadiene) complex uses the OH on the five member ring and hydrogen linked to the iron to facilitate hydrogenation reactions, particularly in the presence of hydrogen gas.

  8. Identification of ligands for bacterial sensor proteins.

    Science.gov (United States)

    Fernández, Matilde; Morel, Bertrand; Corral-Lugo, Andrés; Rico-Jiménez, Miriam; Martín-Mora, David; López-Farfán, Diana; Reyes-Darias, José Antonio; Matilla, Miguel A; Ortega, Álvaro; Krell, Tino

    2016-02-01

    Bacteria have evolved a variety of different signal transduction mechanisms. However, the cognate signal molecule for the very large amount of corresponding sensor proteins is unknown and their functional annotation represents a major bottleneck in the field of signal transduction. The knowledge of the signal molecule is an essential prerequisite to understand the signalling mechanisms. Recently, the identification of signal molecules by the high-throughput protein screening of commercially available ligand collections using differential scanning fluorimetry has shown promise to resolve this bottleneck. Based on the analysis of a significant number of different ligand binding domains (LBDs) in our laboratory, we identified two issues that need to be taken into account in the experimental design. Since a number of LBDs require the dimeric state for ligand recognition, it has to be assured that the protein analysed is indeed in the dimeric form. A number of other examples demonstrate that purified LBDs can contain bound ligand which prevents further binding. In such cases, the apo-form can be generated by denaturation and subsequent refolding. We are convinced that this approach will accelerate the functional annotation of sensor proteins which will help to understand regulatory circuits in bacteria. PMID:26511375

  9. Circulating amounts of osteoprotegerin and RANK ligand

    DEFF Research Database (Denmark)

    Abrahamsen, Bo; Hjelmborg, Jacob Vb; Kostenuik, Paul;

    2005-01-01

    UNLABELLED: Osteoprotegerin (OPG) is a circulating receptor that inhibits osteoclastogenesis by binding to RANK ligand (RANKL). OPG knock-out animals develop severe osteoporosis. Treatment with OPG lowers bone resorption and increases BMD. OPG production is influenced by a wide range of hormones ...

  10. Ammonia formation by metal-ligand cooperative hydrogenolysis of a nitrido ligand

    Science.gov (United States)

    Askevold, Bjorn; Nieto, Jorge Torres; Tussupbayev, Samat; Diefenbach, Martin; Herdtweck, Eberhardt; Holthausen, Max C.; Schneider, Sven

    2011-07-01

    Bioinspired hydrogenation of N2 to ammonia at ambient conditions by stepwise nitrogen protonation/reduction with metal complexes in solution has experienced remarkable progress. In contrast, the highly desirable direct hydrogenation with H2 remains difficult. In analogy to the heterogeneously catalysed Haber-Bosch process, such a reaction is conceivable via metal-centred N2 splitting and unprecedented hydrogenolysis of the nitrido ligands to ammonia. We report the synthesis of a ruthenium(IV) nitrido complex. The high nucleophilicity of the nitrido ligand is demonstrated by unusual N-C coupling with π-acidic CO. Furthermore, the terminal nitrido ligand undergoes facile hydrogenolysis with H2 at ambient conditions to produce ammonia in high yield. Kinetic and quantum chemical examinations of this reaction suggest cooperative behaviour of a phosphorus-nitrogen-phosphorus pincer ligand in rate-determining heterolytic hydrogen splitting.

  11. Critical evaluation of polychlorinated biphenyl toxicity in terrestrial and marine mammals: increasing impact of non-ortho and mono-ortho coplanar polychlorinated biphenyls from land to ocean.

    Science.gov (United States)

    Kannan, N; Tanabe, S; Ono, M; Tatsukawa, R

    1989-11-01

    Residues of potentially toxic non-ortho chlorine substituted coplanar 3,3',4,4'-tetra-,3,3',4,4',5-penta-, 3,3',4,4',5,5'-hexachlorobiphenyl and their mono- and di-ortho analogs 2,3',4,4',5-penta, 2,3,3',4,4'-penta-, 2,3,3',4,4',5-hexa- and 2,2',3,3',4,4'-hexa-, 2,2',3,4,4',5-hexachlorobiphenyl) were determined in humans, dogs, cats (terrestrial), a finless porpoise (Neophocoena phocoenoides--coastal), Dall's porpoises (Phocoenoides dalli, dalli), Baird's beaked whales (Berardius bairdii) and killer whales (Orcinus orca--open ocean). Among the coplanar polychlorinated biphenyl (PCB) congeners, the concentration of the di-ortho congeners was the highest and the non-ortho congeners was the lowest. However, all three coplanar PCBs occurred at significantly higher levels than toxic polychlorinated dibenzo-p-dioxins (PCDDs) and polychlorinated dibenzofurans (PCDFs). The relative bioconcentration and metabolic capacity of terrestrial and marine mammals to these chemicals, suggest that the toxic threat of coplanar PCBs increases from land to ocean, but the reverse is true for PCDDs and PCDFs. The toxic threat of coplanar PCBs to higher aquatic predators such as cetaceans was principally assessed by 2,3,7,8-T4CDD Toxic Equivalent Analysis which is based on the induction of arylhydrocarbon hydroxylase (AHH) and ethoxyresorufin O-deethylase (EROD). Analysis indicates, in particular, that the bioaccumulation of toxic 3,3',4,4',5-penta- and 2,3,3',4,4'-pentachlorobiphenyls in carnivorous marine mammals is a cause for considerable concern. PMID:2515809

  12. A cohort study of the association between secondary sex ratio and parental exposure to polybrominated biphenyl (PBB and polychlorinated biphenyl (PCB

    Directory of Open Access Journals (Sweden)

    Terrell Metrecia L

    2009-08-01

    Full Text Available Abstract Background Polybrominated biphenyl (PBB, a brominated flame retardant, was accidently mixed into animal feed in Michigan (1973–1974 resulting in human exposure through consumption of contaminated meat, milk and eggs. Beginning in 1976 individuals who consumed contaminated products were enrolled in the Michigan Long-Term PBB Study. This cohort presents a unique opportunity to study the association between parental exposures to PBB and offspring sex ratio. Methods We identified offspring of female PBB cohort participants (born 1975–1988 and obtained electronic birth records for those born in the state of Michigan. We linked this information to parental serum PBB and PCB concentrations collected at enrollment into the cohort. We modeled the odds of a male birth with generalized estimating equations accounting for the non-independence of siblings born to the same parents. We explored potential confounders: parental age and education at offspring's birth, parental body mass index at cohort enrollment, birth order, gestational age and year of offspring's birth. Results The overall proportion of male offspring among 865 live births to cohort mothers was 0.542. This was higher than the national male proportion of 0.514 (binomial test: p = 0.10. When both parents were in the cohort (n = 300, we found increased odds of a male birth with combined parents' enrollment PBB exposure ≥ the median concentrations (3 μg/L for mothers; 6 μg/L for fathers compared to combined parents' PBB exposure Conclusion This study adds to the body of literature on secondary sex ratio and exposure to environmental contaminants. In this population, combined parental exposure to PBBs or PCBs increased the odds of a male birth. Further research is needed to corroborate these findings and shed light on the biological mechanisms by which these types of chemicals may influence the secondary sex ratio.

  13. CHARACTERIZATION OF PCB (POLYCHLORINATED BIPHENYL) TRANSFORMER/CAPACITOR FLUIDS AND CORRELATION WITH PCDDS (POLYCHLORINATED DIBENZO-P-DIOXINS) AND PCDFS (POLYCHLORINATED DIBENZOFURANS) IN SOOT

    Science.gov (United States)

    Dielectric fluids in transformers and capacitors often contain polychlorinated biphenyls (PCBs) or chlorobenzenes. These substances may generate polychlorinated dibenzofurans (PCDFs) and polychlorinated dibenzo-p-dioxins (PCDDs) under certain conditions of combustion/pyrolysis. W...

  14. Substrate coated with receptor and labelled ligand for assays

    International Nuclear Information System (INIS)

    Improvements in the procedures for assaying ligands are described. The assay consists of a polystyrene tube on which receptors are present for both the ligand to be assayed and a radioactively labelled form of the ligand. The receptors on the bottom portion of the tube are also coated with labelled ligands, thus eliminating the necessity for separate addition of the labelled ligand and sample during an assay. Examples of ligands to which this method is applicable include polypeptides, nucleotides, nucleosides and proteins. Specific examples are given in which the ligand to be assayed is digoxin, the labelled form of the ligand is 3-0-succinyl digoxyigenin tyrosine (125I) and the receptor is digoxin antibody. (U.K.)

  15. Role of ligand-ligand vs. core-core interactions in gold nanoclusters.

    Science.gov (United States)

    Milowska, Karolina Z; Stolarczyk, Jacek K

    2016-05-14

    The controlled assembly of ligand-coated gold nanoclusters (NCs) into larger structures paves the way for new applications ranging from electronics to nanomedicine. Here, we demonstrate through rigorous density functional theory (DFT) calculations employing novel functionals accounting for van der Waals forces that the ligand-ligand interactions determine whether stable assemblies can be formed. The study of NCs with different core sizes, symmetry forms, ligand lengths, mutual crystal orientations, and in the presence of a solvent suggests that core-to-core van der Waals interactions play a lesser role in the assembly. The dominant interactions originate from combination of steric effects, augmented by ligand bundling on NC facets, and related to them changes in electronic properties induced by neighbouring NCs. We also show that, in contrast to standard colloidal theory approach, DFT correctly reproduces the surprising experimental trends in the strength of the inter-particle interaction observed when varying the length of the ligands. The results underpin the importance of understanding NC interactions in designing gold NCs for a specific function. PMID:27097887

  16. Ligand binding was acquired during evolution of nuclear receptors

    OpenAIRE

    Escriva, Hector; Safi, Rachid; Hänni, Catherine; Langlois, Marie-Claire; Saumitou-Laprade, Pierre; Stehelin, Dominique; Capron, André; Pierce, Raymond; Laudet, Vincent

    1997-01-01

    The nuclear receptor (NR) superfamily comprises, in addition to ligand-activated transcription factors, members for which no ligand has been identified to date. We demonstrate that orphan receptors are randomly distributed in the evolutionary tree and that there is no relationship between the position of a given liganded receptor in the tree and the chemical nature of its ligand. NRs are specific to metazoans, as revealed by a screen of NR-related sequences in early- and non-metazoan organism...

  17. Organochlorine Pesticides (OCs) and Polychlorinated Biphenyls (PCBs) inTilapia zillii from Lake El-Manzala Egypt

    International Nuclear Information System (INIS)

    A fishwater fish species, (Tilapia zillii) from Lake El-Manzala was analyzed for concentrations of several Organochlorine pesticides (OCs) and Polychlorinated biphenyls (PCBs) in liver, gonads, mesenteric fat, flesh and the digestive tract in the mature fish during the breeding season. Polychlorinated pesticides (OCs) were calculated in (ng/g) dry weight (dw) in homogenized samples. The obtained results revealed differences in lipid content between these different organs. The females showed higher lipid content than males. There was significant positive correlation between the lipid content and organochlorines and polychlorinated biphenyls (PCBs). The results came concomitant with the lipophilicity of studied compounds. However, the recorded concentrations of these studied pollutants still do not exceed the international hazardous levels. (author)

  18. Poly(meta-phenylene) Derivative with Rigid Twisted Biphenyl Units in Backbone: Synthesis, Structural Characterization,Photophysical Properties and Electroluminescence

    Institute of Scientific and Technical Information of China (English)

    ZHENG Yan; YANG Bing; ZHANG Hai-quan; LU Ping; SHEN Fang-zhong; LIU Lin-lin; XU Hai; YANG Guang-di; MA Yu-guang

    2007-01-01

    A soluble poly(meta-phenylene) derivative with rigid twisted biphenyl unit was synthesized by the Yamamoto coupling reaction. The polymer is soluble in common organic solvents, and the number-average molecular weight is about 6500. The UV-Vis and quantum chemical calculation indicate that the different conformation segments named "conformers" exist in the polymer backbones; it was also further confirmed by the single crystal X-ray diffraction study of the dimeric model compound. The π-π* transition of biphenyl segments of twisted and planar conformations made the polymer exhibit a strong absorption around 256 nm and a weak absorption at about 300 nm. Furthermore,the polymer exhibits a strong UV photoluminescence at 372 nm when the excitation wavelengths are longer than 300 nm. The ultraviolet-emitting electroluminescence(EL) device with the single layer structure shows EL λmax of the derivative at 370 nm.

  19. Directing effects of phenyl substitution in the reaction of OH radical with aromatics: The radiolytic hydroxylation of biphenyl

    International Nuclear Information System (INIS)

    The initial yields for formation of 2-, 3- and 4- hydroxybiphenyl following the radiolytic oxidation of biphenyl in the presence of ferricyanide are, respectively, 2.19, 1.13 and 1.55 molecules/100eV. These yields reflect relative rates of 0.71:0.37:1 for sm-bulletOH radical attack on each of the ortho, meta, and para positions of biphenyl. Comparison of the corresponding partial rate constants to that for benzene shows that phenyl substitution has a significant effect in directing sm-bulletOH addition to the ortho and para positions of aromatic systems. Comparison with phenol shows that a phenyl substitution has only a slightly smaller effect than does OH in increasing the partial rate constant at the ortho and para positions but is substantially less effective in decreasing the rate of sm-bulletOH reaction at the meta position. 15 refs., 9 figs

  20. Leaching behavior of butanedionedioxime as gold ligand

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Butanedionedioxime, a small organic compound with low-toxicity and good chemical stability, has been proposed as an effective gold ligand in gold extraction. The result of experiment shows that: 1) highly effective gold lixiviantcan be composed of butanedionedioxime (BDM) with many oxidants, especially potassium permanganate; 2)in the leaching system of BD M- K M nO4 the suitable Ox/Lig(ratio of oxidants to gold ligands) tange is 0.20 ~ 0. 50, optimally 0.25 ~0.45 at the pH range of 7 ~ 11; 3) BDM-KMnO4 extraction of gold from an oxide ore is similar to cyanide(cyanide-O2)extraction, but the leaching rate of gold by BDM-KMnO4 is faster than that by cyanide-O2; 4) gold may readily be recov-ered by carbon adsorption and zinc precipitation

  1. (Solid + liquid) phase equilibria and heat capacity of (diphenyl ether + biphenyl) mixtures used as thermal energy storage materials

    International Nuclear Information System (INIS)

    Highlights: • A DSC calorimeter for measuring (solid + liquid) phase equilibrium and heat capacities is presented. • (Diphenyl ether + biphenyl) system presents a eutectic (solid + liquid) phase diagram with complete immiscibility in solid phase. • The T, x conditions of the eutectic point are x = (0.705 and 285.6) K, while 93.2 J · g−1 · K−1 is the latent heat of fusion. • The Wilson and NRTL equations, and the predictive UNIFAC model describes adequately the solid liquid phase equilibrium data. • The system exhibits high and positive excess heat capacities which can be correlated by using a Redlich–Kister equation. - Abstract: The (solid + liquid) phase equilibrium for eight {x diphenyl ether + (1 − x) biphenyl} binary mixtures, including the eutectic mixture were studied by using a differential scanning calorimetry (DSC) technique. A good agreement was found between previous literature and experimental values here presented for the melting point and enthalpy of fusion of pure compounds. The well-known equations for Wilson and the non-random two-liquid (NRTL) were used to correlate experimental solid liquid phase equilibrium data. Moreover, the predictive mixture model UNIFAC has been employed to describe the phase diagram. With the aim to check this equipment to measure heat capacities in the quasi-isothermal Temperature-Modulated Differential Scanning Calorimetry method (TMDSC), four fluids of well-known heat capacity such as toluene, n-decane, cyclohexane and water were also studied in the liquid phase at temperatures ranging from (273.15 to 373.15) K. A good agreement with literature values was found for those fluids of pure diphenyl ether and biphenyl. Additionally, the specific isobaric heat capacities of diphenyl ether and biphenyl binary mixtures in the liquid phase up to T = 373.15 K were measured

  2. Synthesis and anti-inflammatory-analgesic activity of 2',4'-difluoro-3-(carbamoyl)biphenyl-4-yl benzoates

    Institute of Scientific and Technical Information of China (English)

    2008-01-01

    Eighteen 2',4'-difluoro-3-(carbamoyl)biphenyl-4-yl benzoates were synthesized from diflunisal in three steps with total yields from 72% to 86%. All compounds were identified by IR, 1H NMR, MS and elemental analysis. The anti-inflammatory activity and analgesic activity for 18 compounds were evaluated. The preliminary assay results showed that compounds 4a and 4p exhibited potent anti-inflammatory-analgesic activity.

  3. Fluorogenic derivatization of aryl halides based on the formation of biphenyl by Suzuki coupling reaction with phenylboronic acid.

    OpenAIRE

    Kishikawa, Naoya; Kubo, Kimiko; Hammad, Sherin Farouk; Mabrouk, Mokhtar Mohamed; Habib, Ahmed; Elfatatry, Hamed; Ohyama, Kaname; Nakashima, Kenichiro; Kuroda, Naotaka

    2009-01-01

    The fluorogenic derivatization method for aryl halide was developed for the first time. This method was based on the formation of fluorescent biphenyl structure by Suzuki coupling reaction between aryl halides and non-fluorescent phenylboronic acid (PBA). We measured the fluorescence spectra of the products obtained by the reaction of p-substituted aryl bromides (i.e., 4-bromobenzonitrile, 4-bromoanisole, 4-bromobenzoic acid ethyl ester and 4-bromotoluene) with PBA in the presence of palladiu...

  4. Uptake and Translocation of Lesser-Chlorinated Polychlorinated Biphenyls (PCBs) in Whole Hybrid Poplar Plants after Hydroponic Exposure

    OpenAIRE

    Liu, Jiyan; Schnoor, Jerald L.

    2008-01-01

    Mono-, di-, tri-, and tetra-chlorinated polychlorinated biphenyls (PCBs) are congeners with greater volatility which remain in air, soils and sediments requiring treatment. In this study, the fate of these PCBs was investigated within whole poplar plants (Populus deltoides x nigra, DN34) with application for a treatment system such as a confined disposal facility for dredged material. Whole hybrid poplars were exposed hydroponically to a mixture of five congeners, common in the environment, h...

  5. Developmental Coexposure to Polychlorinated Biphenyls and Polybrominated Diphenyl Ethers Has Additive Effects on Circulating Thyroxine Levels in Rats

    OpenAIRE

    Miller, Veronica M; Sanchez-Morrissey, Susana; Brosch, Karl O; Seegal, Richard F.

    2012-01-01

    Polychlorinated biphenyls (PCBs) and polybrominated diphenyl ethers (PBDEs) are widespread environmental contaminants found in seafood and dairy products. PCBs and PBDEs are structurally similar chemicals and affect thyroid hormone function and behavior in children and laboratory rodents. Although coexposure frequently exists, the in vivo developmental effects of combined exposure to PCBs and PBDEs on thyroxine (T4) levels are unknown. We examined the effects of PCB and PBDE coexposure from g...

  6. Polychlorinated Biphenyls in Residential Soils and their Health Risk and Hazard in an Industrial City in India

    OpenAIRE

    Bhupander Kumar; Virendra Kumar Verma; Satish Kumar Singh; Sanjay Kumar; Chandra Shekhar Sharma; Akolkar, Avinash B.

    2014-01-01

    Background Polychlorinated biphenyls (PCBs) have never been produced in India, but were used in industrial applications. PCBs have been detected in environmental samples since 1966, and their sources in soils come from depositions of industrial applications, incinerators and biomass combustions. PCBs adsorb to soil particles and persist for long time due to their properties. Their close proximity may also lead to human exposure through ingestion, inhalation, dermal contact, and may exert neur...

  7. Evidence of an Age Related Threshold Effect of Polychlorinated Biphenyls (PCBs) on Neuropsychological Functioning in a Native American Population

    OpenAIRE

    Haase, Richard F.; McCaffrey, Robert J.; Santiago-Rivera, Azara L.; Morse, Gayle S.; Tarbell, Alice

    2008-01-01

    Polychlorinated biphenyls (PCBs) have been suspected for some time of having adverse effects on neuropsychological functioning in humans. While there is evidence of slowing of cognitive function in children associated with exposure to PCBs, the evidence of comparable effects on adults is far less well understood. We report here on the neuropsychological evaluation of 277 Native American adults, ranging in age from 18 -79, who were exposed to PCBs by way of environmental contamination in the S...

  8. Determinants of Prenatal Exposure to Polychlorinated Biphenyls (PCBs) and Polybrominated Diphenyl Ethers (PBDEs) in an Urban Population

    OpenAIRE

    Herbstman, Julie B.; Sjödin, Andreas; Apelberg, Benjamin J.; Witter, Frank R.; Patterson, Donald G.; Halden, Rolf U.; Jones, Richard S.; Park, Annie; Zhang, Yalin; Heidler, Jochen; Needham, Larry L.; Goldman, Lynn R.

    2007-01-01

    Background Recent studies have reported blood levels of polybrominated diphenyl ethers (PBDEs) in the U.S. population. Information about neonatal levels and about the relationship to polychlorinated biphenyls (PCBs) exposures is limited. Objectives The objective was to characterize levels and determinants of fetal exposure to PBDEs and PCBs among newborns from Baltimore, Maryland. Methods We analyzed umbilical cord blood for eight PBDEs and 35 PCBs from infants delivered at the Johns Hopkins ...

  9. Formation of Polychlorinated Biphenyls on Secondary Copper Production Fly Ash: Mechanistic Aspects and Correlation to Other Persistent Organic Pollutants

    OpenAIRE

    Xiaoxu Jiang; Guorui Liu; Mei Wang; Minghui Zheng

    2015-01-01

    Emission of unintentionally formed polychlorinated biphenyls (PCBs) from industrial thermal processes is a global issue. Because the production and use of technical PCB mixtures has been banned, industrial thermal processes have become increasingly important sources of PCBs. Among these processes, secondary copper smelting is an important PCB source in China. In the present study, the potential for fly ash-mediated formation of PCBs in the secondary copper industry, and the mechanisms involve...

  10. Fate and transport of planar and mono-ortho polychlorinated biphenyls and polychlorinated naphthalenes in Southern California sediments

    OpenAIRE

    Venkatesan, M. Indira

    2003-01-01

    Polychlorinated biphenyls (PCBs) are an important class of industrial pollutants that areubiquitous in the marine and freshwater environments (NAS, 1979). Although the “planar” or“non-ortho” PCB congeners are present in much lower concentrations than other PCBcongeners, they can be responsible for much of the dioxin-like (TCDD) toxicity in the marineecosystem. Further, their environmental fate may be different from other PCBs. Theirdetermination is, therefore, crucial for assessment of contam...

  11. Mass spectrometry analysis of polychlorinated biphenyls: chemical ionization and selected ion chemical ionization using methane as a reagent gas

    OpenAIRE

    RAYMOND E. MARCH; MILA D. LAUSEVIC; TATJANA M. VASILJEVIC

    2000-01-01

    In the present paper a quadrupole ion trap mass spectrometer, coupled with a gas chromatograph, was used to compare the electron impact ionization (EI) and chemical ionization (Cl) technique, in terms of their selectivity in polychlorinated biphenyls (PCBs) quantitative analysis. The experiments were carried out with a modified Varian SATURN III quadrupole ion-storage mass spectrometer equipped with Varian waveform generator, coupled with a gas chromatograph with DB-5 capillary column. The di...

  12. Effects of Polychlorinated Biphenyls on the Development of Neuronal Cells in Growth Period; Structure-Activity Relationship

    OpenAIRE

    Do, Youngrok; Lee, Dong Kuck

    2012-01-01

    Polychlorinated biphenyls (PCBs) are accumulated in our body through food chain and cause a variety of adverse health effects including neurotoxicities such as cognitive deficits and motor dysfunction. In particular, neonates are considered as a high risk group for the neurotoxicity of PCBs exposure. The present study attempted to analyze the structure-activity relationship among PCB congeners and the mechanism of PCBs-induced neurotoxicity. We measured total protein kinase C (PKC) activities...

  13. Effect of Socioeconomic Status on Exposures to Polychlorinated Biphenyls (PCBs) and Dichlorodiphenyldichloroethylene (DDE) among Pregnant African-American Women

    OpenAIRE

    Borrell, Luisa N.; Factor-Litvak, Pam; Wolff, Mary S.; Susser, Ezra; Matte, Thomas D

    2004-01-01

    In this study, the authors investigated the associations between socioeconomic status and exposures to polychlorinated biphenyls (PCBs) and dichlorodiphenyldichloroethylene (DDE) in a cohort of inner-city African-American pregnant women. Data for this study were derived from the Columbia Presbyterian Medical Center subcohort of the National Collaborative Perinatal Project. African-American women from whom venous blood had been collected during their third trimester of pregnancy during the tim...

  14. Polychlorinated Biphenyls (PCBs) Enhance Metastatic Properties of Breast Cancer Cells by Activating Rho-Associated Kinase (ROCK)

    OpenAIRE

    Du, Yuguo; Li, Shitao; Liu, Sijin

    2010-01-01

    Background: Polychlorinated biphenyls (PCBs) are a family of structurally related chlorinated aromatic hydrocarbons. Numerous studies have documented a wide spectrum of biological effects of PCBs on human health, such as immunotoxicity, neurotoxocity, estrogenic or antiestrogenic activity, and carcinogensis. The role of PCBs as etiologic agents for breast cancer has been intensively explored in a variety of in vivo, animal and epidemiologic studies. A number of investigations indicated that h...

  15. Contamination of Runoff Water at Gdańsk Airport (Poland) by Polycyclic Aromatic Hydrocarbons (PAHs) and Polychlorinated Biphenyls (PCBs)

    OpenAIRE

    Jacek Namieśnik; Anna Maria Sulej; Żaneta Polkowska

    2011-01-01

    Airport runoff can contain high concentrations of various pollutants, in particular polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs), the environmental levels of which have to be monitored. Airport runoff water samples, collected at the Gdańsk-Rębiechowo Airport from 2008 to 2009, were analysed for PAHs and PCBs by gas chromatography. The aromatic fractions were separated by liquid-liquid extraction and analysed by GC/MS. Total PAH concentrations were 295–6,758 ng/...

  16. Subchronic Polychlorinated Biphenyl (Aroclor 1254) Exposure Produces Oxidative Damage and Neuronal Death of Ventral Midbrain Dopaminergic Systems

    OpenAIRE

    Lee, Donna W.; Notter, Sarah A.; Thiruchelvam, Mona; Dever, Daniel P.; Fitzpatrick, Richard; Kostyniak, Paul J.; Cory-Slechta, Deborah A.; Opanashuk, Lisa A.

    2011-01-01

    Recent epidemiologic studies have demonstrated a link between organochlorine and pesticide exposure to an enhanced risk for neurodegenerative disorders such as Parkinson’s disease (PD). A common biological phenomenon underlying cell injury associated with both polychlorinated biphenyl (PCB) exposure and dopaminergic neurodegeneration during aging is oxidative stress (OS). In this study, we tested the hypothesis that oral PCB exposure, via food ingestion, impairs dopamine systems in the adult ...

  17. Sequential Reductive Dechlorination of meta-Chlorinated Polychlorinated Biphenyl Congeners in Sediment Microcosms by Two Different Chloroflexi Phylotypes

    OpenAIRE

    Fagervold, Sonja K.; Watts, Joy E. M.; May, Harold D.; Sowers, Kevin R.

    2005-01-01

    Three species within a deeply branching cluster of the Chloroflexi are the only microorganisms currently known to anaerobically transform polychlorinated biphenyls (PCBs) by the mechanism of reductive dechlorination. A selective PCR primer set was designed that amplifies the 16S rRNA genes of a monophyletic group within the Chloroflexi including Dehalococcoides spp. and the o-17/DF-1 group. Assays for both qualitative and quantitative analyses by denaturing gradient gel electrophoresis and mo...

  18. Polycyclic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs) in sediments from the Mersey Estuary, U.K.

    OpenAIRE

    Vane, C.H.; Harrison, I; Kim, A W

    2007-01-01

    Sediments from the Mersey Estuary were analysed for polycylic aromatic hydrocarbons (PAHs) and polychlorinated biphenyls (PCBs). Total PAH concentrations ranged from 626 to 3766 μg/kg and total PCB concentrations ranged from 36 to 1409 μg/kg. These concentrations are intermediate in comparison to other U.K estuaries with similar histories of industrialisation and urbanisation. The distribution of individual PAHs were consistent throughout the Mersey Estuary, this together with molecular indic...

  19. Human Serum from Urban and Rural Adolescents and Their Mothers Shows Exposure to Polychlorinated Biphenyls Not Found in Commercial Mixtures

    OpenAIRE

    Koh, Wen Xin; Hornbuckle, Keri C.; Thorne, Peter S.

    2015-01-01

    Although polychlorinated biphenyls are no longer sold as commercial mixtures, they are still being produced through modern manufacturing processes. We have previously shown that non-Aroclor PCB11 is prevalent in indoor and outdoor air, sediment, and detected in human serum. Here we report the prevalence of non-Aroclor PCB congeners (≤0.20 weight percent in Aroclor) in human serum collected from urban and rural adolescents and their mothers. We hypothesized that additional non-Aroclors congene...

  20. Discovery of Hydroxylated Polychlorinated Biphenyls (OH-PCBs) in sediment from a Lake Michigan waterway and original commercial Aroclors

    OpenAIRE

    Marek, Rachel F.; Martinez, Andres; Hornbuckle, Keri C.

    2013-01-01

    Hydroxylated polychlorinated biphenyls (OH-PCBs) were measured in surficial sediment from Indiana Harbor and Ship Canal (IHSC), East Chicago, IN and five original Monsanto Aroclors. These compounds were measured using gas chromatography with tandem mass spectrometry (GC-MS/MS) and certified standards that allowed us to identify 65 individual or co-eluting congeners. Concentrations in the sediment ranged from 0.20 to 26 ng/g dry weight. Profiles of most samples were similar and were dominated ...

  1. The Dehalococcoides Population in Sediment-Free Mixed Cultures Metabolically Dechlorinates the Commercial Polychlorinated Biphenyl Mixture Aroclor 1260▿

    OpenAIRE

    Bedard, Donna L.; Ritalahti, Kirsti M.; Löffler, Frank E.

    2007-01-01

    Microbial reductive dechlorination of commercial polychlorinated biphenyl (PCB) mixtures (e.g., Aroclors) in aquatic sediments is crucial to achieve detoxification. Despite extensive efforts over nearly two decades, the microorganisms responsible for Aroclor dechlorination remained elusive. Here we demonstrate that anaerobic bacteria of the Dehalococcoides group derived from sediment of the Housatonic River (Lenox, MA) simultaneously dechlorinate 64 PCB congeners carrying four to nine chlorin...

  2. Photoredox-Catalyzed Tandem Insertion/Cyclization Reactions of Difluoromethyl and 1,1-Difluoroalkyl Radicals with Biphenyl Isocyanides.

    Science.gov (United States)

    Zhang, Zuxiao; Tang, Xiaojun; Dolbier, William R

    2015-09-18

    Using visible-light photoredox conditions, difluoromethylation and 1,1-difluoroalkylation of biphenyl isocyanides have allowed the synthesis of a series of 6-(difluoromethyl)- and 6-(1,1-difluoroalkyl)phenanthridines via tandem addition/cyclization/oxidation processes. The reactions are carried out in wet dioxane at room temperature using fac-Ir(ppy)3 as catalyst to form a large variety of substituted phenanthridine products in good to excellent yield. PMID:26336815

  3. Exposure to polychlorinated biphenyls enhances lipid peroxidation in human normal peritoneal and adhesion fibroblasts: a potential role for myeloperoxidase

    OpenAIRE

    Saed, Ghassan M.; Jiang, Zhong L.; Fletcher, Nicole M.; Arab, Ali Al; Diamond, Michael P.; ABU-SOUD, HUSAM M.

    2010-01-01

    Nitric oxide (NO), superoxide and lipid peroxidation (LPO) produced under oxidative stress may contribute to development of postoperative adhesions. The objective of this study was to determine the effects of polychlorinated biphenyls (PCBs) on LPO, superoxide dismutase (SOD3), myeloperoxidase (MPO), and nitrite/nitrate in human normal peritoneal and adhesion fibroblasts. PCB treatment reduced iNOS expression as well as levels of nitrite/nitrate in both cell lines. Although there was no diffe...

  4. Perinatal exposure to a noncoplanar polychlorinated biphenyl alters tonotopy, receptive fields, and plasticity in rat primary auditory cortex

    OpenAIRE

    Kenet, T; Froemke, R. C.; Schreiner, C. E.; Pessah, I N; Merzenich, M. M.

    2007-01-01

    Noncoplanar polychlorinated biphenyls (PCBs) are widely dispersed in human environment and tissues. Here, an exemplar noncoplanar PCB was fed to rat dams during gestation and throughout three subsequent nursing weeks. Although the hearing sensitivity and brainstem auditory responses of pups were normal, exposure resulted in the abnormal development of the primary auditory cortex (A1). A1 was irregularly shaped and marked by internal nonresponsive zones, its topographic organization was grossl...

  5. Polychlorinated Biphenyls in the Centralized Wastewater Treatment Plant in a Chemical Industry Zone: Source, Distribution, and Removal

    OpenAIRE

    Min Yao; Zhongjian Li; Xingwang Zhang; Lecheng Lei

    2014-01-01

    Polychlorinated biphenyls (PCBs) could be dissolved in wastewater or adsorbed on particulate. The fate of PCBs in wastewater is essential to evaluate the feasibility of wastewater treatment processes and the environmental risk. Here dissolved and adsorbed concentrations of twenty concerned PCB congeners and total PCBs have been measured in the centralized wastewater treatment plant of a chemical industry zone in Zhejiang, China. It was found that the dyeing chemical processes were the main so...

  6. Unusual polymorphism in new bent-shaped liquid crystals based on biphenyl as a central molecular core

    Czech Academy of Sciences Publication Activity Database

    Kovářová, A.; Světlík, S.; Kozmik, V.; Svoboda, J.; Novotná, Vladimíra; Pociecha, D.; Gorecka, E.; Podoliak, Natalia

    2014-01-01

    Roč. 10, Apr (2014), s. 794-807. ISSN 1860-5397 R&D Projects: GA ČR GA13-14133S; GA ČR(CZ) GAP204/11/0723 Grant ostatní: AVČR(CZ) M100101211 Institutional support: RVO:68378271 Keywords : bent-shaped * biphenyl core * liquid crystals * mesomorphic behaviour * SmCG phase Subject RIV: JJ - Other Materials Impact factor: 2.762, year: 2014

  7. Selective oxoanion separation using a tripodal ligand

    Energy Technology Data Exchange (ETDEWEB)

    Custelcean, Radu; Moyer, Bruce A.; Rajbanshi, Arbin

    2016-02-16

    The present invention relates to urea-functionalized crystalline capsules self-assembled by sodium or potassium cation coordination and by hydrogen-bonding water bridges to selectively encapsulate tetrahedral divalent oxoanions from highly competitive aqueous alkaline solutions and methods using this system for selective anion separations from industrial solutions. The method involves competitive crystallizations using a tripodal tris(urea) functionalized ligand and, in particular, provides a viable approach to sulfate separation from nuclear wastes.

  8. Polyfluoroalkylated tripyrazolylmethane ligands: Synthesis and complexes

    Czech Academy of Sciences Publication Activity Database

    Skalická, V.; Rybáčková, M.; Skalický, M.; Kvíčalová, Magdalena; Cvačka, Josef; Březinová, Anna; Čejka, J.; Kvíčala, J.

    2011-01-01

    Roč. 132, č. 7 (2011), s. 434-440. ISSN 0022-1139 R&D Projects: GA MŠk ME 857; GA MŠk ME09114 Institutional research plan: CEZ:AV0Z40320502; CEZ:AV0Z40550506 Keywords : tripyrazolylmethane * Tpm * tripyrazolylethanol * fluorinated * perfluoroalkylation * ligand Subject RIV: CC - Organic Chemistry Impact factor: 2.033, year: 2011

  9. Targeting Selectins and Their Ligands in Cancer.

    Science.gov (United States)

    Natoni, Alessandro; Macauley, Matthew S; O'Dwyer, Michael E

    2016-01-01

    Aberrant glycosylation is a hallmark of cancer cells with increased evidence pointing to a role in tumor progression. In particular, aberrant sialylation of glycoproteins and glycolipids has been linked to increased immune cell evasion, drug evasion, drug resistance, tumor invasiveness, and vascular dissemination, leading to metastases. Hypersialylation of cancer cells is largely the result of overexpression of sialyltransferases (STs). Differentially, humans express twenty different STs in a tissue-specific manner, each of which catalyzes the attachment of sialic acids via different glycosidic linkages (α2-3, α2-6, or α2-8) to the underlying glycan chain. One important mechanism whereby overexpression of STs contributes to an enhanced metastatic phenotype is via the generation of selectin ligands. Selectin ligand function requires the expression of sialyl-Lewis X and its structural isomer sialyl-Lewis A, which are synthesized by the combined action of alpha α1-3-fucosyltransferases, α2-3-sialyltransferases, β1-4-galactosyltranferases, and N-acetyl-β-glucosaminyltransferases. The α2-3-sialyltransferases ST3Gal4 and ST3Gal6 are critical to the generation of functional E- and P-selectin ligands and overexpression of these STs have been linked to increased risk of metastatic disease in solid tumors and poor outcome in multiple myeloma. Thus, targeting selectins and their ligands as well as the enzymes involved in their generation, in particular STs, could be beneficial to many cancer patients. Potential strategies include ST inhibition and the use of selectin antagonists, such as glycomimetic drugs and antibodies. Here, we review ongoing efforts to optimize the potency and selectivity of ST inhibitors, including the potential for targeted delivery approaches, as well as evaluate the potential utility of selectin inhibitors, which are now in early clinical development. PMID:27148485

  10. Rapid Detection of Polychlorinated Biphenyls at Trace Levels in Real Environmental Samples by Surface-Enhanced Raman Scattering

    Directory of Open Access Journals (Sweden)

    Zhengjun Zhang

    2011-11-01

    Full Text Available Detection of trace levels of persistent pollutants in the environment is difficult but significant. Organic pollutant homologues, due to their similar physical and chemical properties, are even more difficult to distinguish, especially in trace amounts. We report here a simple method to detect polychlorinated biphenyls (PCBs in soil and distilled spirit samples by the surface-enhanced Raman scattering technique using Ag nanorod arrays as substrates. By this method, polychlorinated biphenyls can be detected to a concentration of 5 μg/g in dry soil samples within 1 minute. Furthermore, based on simulation and understanding of the Raman characteristics of PCBs, we recognized homologues of tetrachlorobiphenyl by using the surface-enhance Raman scattering method even in trace amounts in acetone solutions, and their characteristic Raman peaks still can be distinguished at a concentration of 10-6 mol/L. This study provides a fast, simple and sensitive method for the detection and recognition of organic pollutants such as polychlorinated biphenyls.

  11. Biphenyl compounds are hydroxyl radical scavengers: their effective inhibition for UV-induced mutation in Salmonella typhimurium TA102.

    Science.gov (United States)

    Fujita, S; Taira, J

    1994-09-01

    In our previous study, we found several hydroxylated biphenyl compounds have a great scavenging effect for hydroxyl radicals (.OH). In this study, to elucidate the relationship between generation of the .OH and photo-mutagenesis, six biphenyl compounds such as dehydrodieugenol, dehydrodivanillyl alcohol, dehydrodidihydroeugenol, dehydrodicreosol, magnolol and honokiol, respectively, were examined for their ability to inhibit UV-induced mutation in Salmonella typhimurium TA102. The relative mutagenic activities (RMA, %) indicated the mutation frequency of treated cells divided by the mutation frequency of control cells times 100%. The RMA (%) are as follows: 28 +/- 1, 31 +/- 1, 33 +/- 1, 41 +/- 2, 62 +/- 1, and 62 +/- 4 at concentrations of 5 micrograms per plate for dehydrodieugenol, dehydrodivanillyl alcohol, dehydrodidihydroeugenol, dehydrodicreosol, magnolol, and honokiol, respectively. These values indicate that low concentrations of these biphenyl compounds effectively suppress UV-induced mutagenesis. Also, these compounds acted as effective antimutagens in a dose-dependent manner (0.00005-5 micrograms per plate). These compounds are effective .OH scavengers. Consequently, the results obtained above suggest that these compounds could inhibit against UV-induced mutations by scavenging of .OH generated by UV irradiation. The results also suggest that .OH are associated with UV-induced mutation in Salmonella typhimurium TA102. PMID:7982632

  12. Identification of a novel dimethoxylated polybrominated biphenyl bioaccumulating in marine mammals

    Energy Technology Data Exchange (ETDEWEB)

    Marsh, G.; Athanasiadou, M.; Bergman, Aa.; Athanassiadis, I. [Department of Environmental Chemistry, Stockholm (Sweden); Endo, Tetsuya [Health Sciences Univ. of Hokkaido (Japan). Fac. of Pharmaceutical Sciences; Haraguchi, Koichi [Daiichi College of Pharmaceutical Sciences, Fukuoka (Japan)

    2004-09-15

    The screening of persistent halogenated organic pollutants has in recent years ended up with findings of numerous compounds being natural products. These compounds have preferably been reported from the marine environment and comprise, several hydroxylated and methoxylated polybrominated diphenyl ethers (OH-PBDEs and MeO-PBDEs) including monochlorinated ditto, a dimethoxylated polybrominated diphenyl ether i.e. 2',6-dimethoxy-2,3',4,5'-tetrabromodiphenyl ether, four halogenated dimethylated bipyrroles (HDBPs) with a 2,2'-bipyrrole backbone, a heptachlorinated 1,2'-bipyrrole i.e. heptachloro-1'-methyl-1,2'-bipyrrole (Q1)6 and a halogenated monoterpene holding two bromine and three chlorine atoms. We have taken interest in an organobrominated compound with an unknown structure but with a molecule ion of m/z = 526 and a four bromine isotope pattern according to mass spectrometry (MS), detected in marine mammal samples of which the majority were collected from Japanese coastal waters. This compound has recently been reported from several marine mammals collected on the Southern hemisphere, but neither the chemical structure nor the type of substance group were established. We here report the structure of this organobrominated compound, a dimethoxylated polybrominated biphenyl, which likely is of natural origin. The identification was done by the comparison of relative retention time (RRT) on two GC columns with different polarities and by comparing mass spectra from three different ionization techniques i.e. PICI, ECNI and EI, of the unknown compound from the samples with an authentic reference compound. Levels of the novel dimethoxylated polybrominated biphenyl are reported as well as the levels (for comparison) of some other known polybrominated compounds, both brominated flame retardants (BFRs) and natural products i.e. BDE-47, BDE-99, BDE-100, BDE-153, BDE-154, BDE-183, 1,2,5,6,9,10- hexabromocyclododecane (HBCDD), 6-MeO-BDE-47, 2

  13. Isolation and characterisation of polychlorinated biphenyl (PCB degrading fungi from a historically contaminated soil

    Directory of Open Access Journals (Sweden)

    Di Toro Sara

    2009-01-01

    Full Text Available Abstract Background Polychlorinated biphenyls (PCBs are widespread toxic pollutants. Bioremediation might be an effective, cost competitive and environment-friendly solution for remediating environmental matrices contaminated by PCBs but it is still unsatisfactory, mostly for the limited biodegradation potential of bacteria involved in the processes. Very little is known about mitosporic fungi potential in PCB bioremediation and their occurrence in actual site historically contaminated soils. In the present study, we characterised the native mycoflora of an aged dump site soil contaminated by about 0.9 g kg-1 of Aroclor 1260 PCBs and its changing after aerobic biotreatment with a commercial complex source of bacteria and fungi. Fungi isolated from the soil resulting from 120 days of treatment were screened for their ability to adsorb or metabolise 3 target PCBs. Results The original contaminated soil contained low loads of few fungal species mostly belonging to the Scedosporium, Penicillium and Aspergillus genera. The fungal load and biodiversity generally decreased throughout the aerobic treatment. None of the 21 strains isolated from the treated soil were able to grow on biphenyl (200 mg L-1 or a mixture of 2-chlorobiphenyl, 4,4'-dichlorobiphenyl and 2,2',5,5'-tetrachlorobiphenyl (20 mg L-1 each as sole carbon sources. However, 16 of them grew in a mineral medium containing the same PCBs mixture and glucose (10 g L-1. Five of the 6 isolates, which displayed the faster and more extensive growth under the latter conditions, were found to degrade the 3 PCBs apparently without the involvement of ligninolytic enzymes; they were identified as Penicillium chrysogenum, Scedosporium apiospermum, Penicillium digitatum and Fusarium solani. They are the first PCB degrading strains of such species reported so far in the literature. Conclusion The native mycoflora of the actual site aged heavily contaminated soil was mainly constituted by genera often

  14. Changes in egg composition of American kestrels exposed to dietary polychlorinated biphenyls.

    Science.gov (United States)

    Fernie, K J; Bortolotti, G R; Smits, J E; Wilson, J; Drouillard, K G; Bird, D M

    2000-06-01

    Changes in the quality of eggs of birds exposed to polychlorinated biphenyls (PCBs) have been described, but have never been directly attributed to PCBs. Polychlorinated biphenyl residues in eggs have been associated with reduced reproductive success and embryonic deformities in wild birds. Egg size and composition, specifically the amount of albumen, yolk, and water in an egg, also influence the growth and viability of embryos and hatchlings, and consequently the reproductive success of birds. To deter mine whether PCB exposure of adult birds affected the size and composition of their eggs, 25 pairs of captive American kestrels (Falco sparverius) were fed a mixture of PCB-spiked (1248:1254:1260) food to give an approximate exposure of 7 mg/kg body weight/d, beginning 1 mo prior to pairing, and continuing throughout the courtship, egg-laying, and incubation periods. This dietary level in the adult female kestrels resulted in mean total PCB residues in the eggs of 34.1 microg/g wet weight (geometric mean), which is environmentally relevant. PCB residues in eggs increased with the time of female exposure to the contaminated diet and laying date. Variation in egg size within PCB clutches was significantly greater than within control clutches, although absolute egg mass and volume did not differ markedly by treatment. Only infertile eggs and only one egg per clutch were used for egg composition analysis. Yolks in the PCB-contaminated eggs were heavier, with less wet and dry albumen relative to control eggs. Water content and eggshell thickness were not significantly affected by PCB exposure. These results suggest that eggs from the PCB treatment have relatively more lipid and less protein available for embryonic development. Changes in egg composition were not associated with egg size, lay date, ambient temperature, humidity, or precipitation, which are factors known to affect these variables in bird eggs. The PCB-induced changes in egg composition described here

  15. A luciferase reporter gene assay and aryl hydrocarbon receptor 1 genotype predict the LD50 of polychlorinated biphenyls in avian species

    International Nuclear Information System (INIS)

    Birds differ in sensitivity to the embryotoxic effects of polychlorinated biphenyls (PCBs), which complicates environmental risk assessments for these chemicals. Recent research has shown that the identities of amino acid residues 324 and 380 in the avian aryl hydrocarbon receptor 1 (AHR1) ligand binding domain (LBD) are primarily responsible for differences in avian species sensitivity to selected dibenzo-p-dioxins and furans. A luciferase reporter gene (LRG) assay was developed in our laboratory to measure AHR1-mediated induction of a cytochrome P450 1A5 reporter gene in COS-7 cells transfected with different avian AHR1 constructs. In the present study, the LRG assay was used to measure the concentration-dependent effects of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), and PCBs 126, 77, 105 and 118 on luciferase activity in COS-7 cells transfected with AHR1 constructs representative of 86 avian species in order to predict their sensitivity to PCB-induced embryolethality and the relative potency of PCBs in these species. The results of the LRG assay indicate that the identity of amino acid residues 324 and 380 in the AHR1 LBD are the major determinants of avian species sensitivity to PCBs. The relative potency of PCBs did not differ greatly among AHR1 constructs. Luciferase activity was significantly correlated with embryolethality data obtained from the literature (R2 ≥ 0.87, p < 0.0001). Thus, the LRG assay in combination with the knowledge of a species' AHR1 LBD sequence can be used to predict PCB-induced embryolethality in potentially any avian species of interest without the use of lethal methods on a large number of individuals. -- Highlights: ► PCB embryolethality in birds can be predicted from a species' AHR1 genotype. ► The reporter gene assay is useful for predicting species sensitivity to PCBs. ► The relative potency of PCBs does not appear to differ between AHR1 genotypes. ► Contamination of PCB 105 and PCB 118 did not affect their relative

  16. A luciferase reporter gene assay and aryl hydrocarbon receptor 1 genotype predict the LD{sub 50} of polychlorinated biphenyls in avian species

    Energy Technology Data Exchange (ETDEWEB)

    Manning, Gillian E., E-mail: gmann017@uottawa.ca [Centre for Advanced Research in Environmental Genomics, Department of Biology, University of Ottawa, Ottawa, ON, Canada K1N 6N5 (Canada); Environment Canada, National Wildlife Research Centre, Ottawa, ON, Canada K1A 0H3 (Canada); Farmahin, Reza, E-mail: mfarm070@uottawa.ca [Centre for Advanced Research in Environmental Genomics, Department of Biology, University of Ottawa, Ottawa, ON, Canada K1N 6N5 (Canada); Environment Canada, National Wildlife Research Centre, Ottawa, ON, Canada K1A 0H3 (Canada); Crump, Doug, E-mail: doug.crump@ec.gc.ca [Environment Canada, National Wildlife Research Centre, Ottawa, ON, Canada K1A 0H3 (Canada); Jones, Stephanie P., E-mail: stephanie.jones@ec.gc.ca [Environment Canada, National Wildlife Research Centre, Ottawa, ON, Canada K1A 0H3 (Canada); Klein, Jeff, E-mail: jeffery@well-labs.com [Wellington Laboratories Inc., Research Division, Guelph, ON, Canada N1G 3M5 (Canada); Konstantinov, Alex, E-mail: alex@well-labs.com [Wellington Laboratories Inc., Research Division, Guelph, ON, Canada N1G 3M5 (Canada); Potter, Dave, E-mail: dpotter@well-labs.com [Wellington Laboratories Inc., Research Division, Guelph, ON, Canada N1G 3M5 (Canada); Kennedy, Sean W., E-mail: sean.kennedy@ec.gc.ca [Centre for Advanced Research in Environmental Genomics, Department of Biology, University of Ottawa, Ottawa, ON, Canada K1N 6N5 (Canada); Environment Canada, National Wildlife Research Centre, Ottawa, ON, Canada K1A 0H3 (Canada)

    2012-09-15

    Birds differ in sensitivity to the embryotoxic effects of polychlorinated biphenyls (PCBs), which complicates environmental risk assessments for these chemicals. Recent research has shown that the identities of amino acid residues 324 and 380 in the avian aryl hydrocarbon receptor 1 (AHR1) ligand binding domain (LBD) are primarily responsible for differences in avian species sensitivity to selected dibenzo-p-dioxins and furans. A luciferase reporter gene (LRG) assay was developed in our laboratory to measure AHR1-mediated induction of a cytochrome P450 1A5 reporter gene in COS-7 cells transfected with different avian AHR1 constructs. In the present study, the LRG assay was used to measure the concentration-dependent effects of 2,3,7,8-tetrachlorodibenzo-p-dioxin (TCDD), and PCBs 126, 77, 105 and 118 on luciferase activity in COS-7 cells transfected with AHR1 constructs representative of 86 avian species in order to predict their sensitivity to PCB-induced embryolethality and the relative potency of PCBs in these species. The results of the LRG assay indicate that the identity of amino acid residues 324 and 380 in the AHR1 LBD are the major determinants of avian species sensitivity to PCBs. The relative potency of PCBs did not differ greatly among AHR1 constructs. Luciferase activity was significantly correlated with embryolethality data obtained from the literature (R{sup 2} ≥ 0.87, p < 0.0001). Thus, the LRG assay in combination with the knowledge of a species' AHR1 LBD sequence can be used to predict PCB-induced embryolethality in potentially any avian species of interest without the use of lethal methods on a large number of individuals. -- Highlights: ► PCB embryolethality in birds can be predicted from a species' AHR1 genotype. ► The reporter gene assay is useful for predicting species sensitivity to PCBs. ► The relative potency of PCBs does not appear to differ between AHR1 genotypes. ► Contamination of PCB 105 and PCB 118 did not affect

  17. Quantification of ligand bias for clinically relevant β2-adrenergic receptor ligands: implications for drug taxonomy.

    Science.gov (United States)

    van der Westhuizen, Emma T; Breton, Billy; Christopoulos, Arthur; Bouvier, Michel

    2014-03-01

    The concepts of functional selectivity and ligand bias are becoming increasingly appreciated in modern drug discovery programs, necessitating more informed approaches to compound classification and, ultimately, therapeutic candidate selection. Using the β2-adrenergic receptor as a model, we present a proof of concept study that assessed the bias of 19 β-adrenergic ligands, including many clinically used compounds, across four pathways [cAMP production, extracellular signal-regulated kinase 1/2 (ERK1/2) activation, calcium mobilization, and receptor endocytosis] in the same cell background (human embryonic kidney 293S cells). Efficacy-based clustering placed the ligands into five distinct groups with respect to signaling signatures. In some cases, apparent functional selectivity originated from off-target effects on other endogenously expressed adrenergic receptors, highlighting the importance of thoroughly assessing selectivity of the responses before concluding receptor-specific ligand-biased signaling. Eliminating the nonselective compounds did not change the clustering of the 10 remaining compounds. Some ligands exhibited large differences in potency for the different pathways, suggesting that the nature of the receptor-effector complexes influences the relative affinity of the compounds for specific receptor conformations. Calculation of relative effectiveness (within pathway) and bias factors (between pathways) for each of the compounds, using an operational model of agonism, revealed a global signaling signature for all of the compounds relative to isoproterenol. Most compounds were biased toward ERK1/2 activation over the other pathways, consistent with the notion that many proximal effectors converge on this pathway. Overall, we demonstrate a higher level of ligand texture than previously anticipated, opening perspectives for the establishment of pluridimensional correlations between signaling profiles, drug classification, therapeutic efficacy, and

  18. Spatial distribution of polychlorinated biphenyls, organochlorine pesticides, and dechlorane plus in Northeast Asia

    Science.gov (United States)

    Baek, Song-Yee; Jurng, Jongsoo; Chang, Yoon-Seok

    2013-01-01

    XAD-2 resin-based passive air samplers (PAS) were deployed for one year at eight cities in Mongolia, China, and South Korea to investigate the spatial distribution of polychlorinated biphenyls (PCBs), organochlorine pesticides (OCPs), and dechlorane plus (DP). PCB levels were highly correlated with population size and density in China and South Korea. In Mongolia, PCB levels were relatively high considering the low population. In the cases of OCPs and DP, a country-specific distribution was observed. The highest levels of HCHs (hexachlorocyclohexane isomers) and DDTs (dichlorodiphenyl trichloroethane isomers) were detected at sites in China, whereas the highest endosulfan and DP levels were measured at South Korean sites. These results strongly reflected the patterns of use of these chemicals. Mirex, an insecticide never registered in Mongolia and South Korea, was detected at all sampling sites; this is likely to have resulted from long-range transport. Nevertheless, OCPs were generally low in Mongolia. This study confirms that PAS results reflect well the past and current usage of POPs in Northeast Asia.

  19. Polychlorinated biphenyls and DDT in swordfish (Xiphias gladius) and blue shark (Prionace glauca) from Brazilian coast.

    Science.gov (United States)

    de Azevedo e Silva, Claudio Eduardo; Azeredo, Antonio; Lailson-Brito, José; Torres, João Paulo Machado; Malm, Olaf

    2007-04-01

    The polychlorinated biphenyls (PCBs) and DDT may bioaccumulate in the aquatic food web and have been of great concern due to their toxic effects on wildlife and human health. There is evidence showing that fish in the human diet contributes at a significant proportion to the total intake of PCBs and other organochlorine compounds, particularly fish with higher fat levels. This study investigated the concentration of PCBs and DDTs in muscle tissues of samples of the blue shark (Prionace glauca) and a swordfish (Xiphias gladius) from east Brazilian coast and estimate the human exposure to total DDTs through the consumption of both the species. Samples of the each species were caught between August and September 2001. The mean concentration for summation operator PCBs in P. glauca was 3.15 ng/g w.w. and the summation operator DDTs was 0.93 ng/g w.w. The mean concentration of summation operator PCBs in X. gladius was 6.50 ng/g and the mean of summation operator DDTs was 2.47 ng/g. The estimated daily intake of summation operator DDT through X. gladius or P. glauca consumption can be considered safe since it contributes to less than 0.1% of the limit of acceptable daily intake (ADI) of summation operator DDT proposed by WHO. PMID:17223179

  20. Biomonitoring of polychlorinated biphenyls (PCBs) in heavily polluted aquatic environment in different fish species.

    Science.gov (United States)

    Brázová, Tímea; Hanzelová, Vladimíra; Miklisová, Dana; Šalgovičová, Danka; Turčeková, L'udmila

    2012-11-01

    The distribution and concentrations of polychlorinated biphenyls (PCBs) were determined in fish species (European perch Perca fluviatilis, northern pike Esox lucius, pike perch Sander lucioperca, wels catfish Silirus glanus, common carp Cyprinus carpio, European eel Anguilla anguilla, freshwater bream Abramis brama, goldfish Carassius auratus, and roach Rutilus rutilus) in a heavily polluted water reservoir Zemplínska šírava (Slovakia). The study performed at two different time points 5 years apart (2004 and 2009) revealed serious PCB contamination of fish muscle tissue and significant interspecies as well as tissue-specific differences in PCB uptake by fish. Total PCBs broadly correlated with the trophic position of individual fish species within a food chain (P 0.05). The study has shown that the kind of fish, its feeding habit, and specific conditions of the habitat are mutually interrelated factors that are responsible for significant variations in fish body burdens. A tendency to PCB biomagnification was also proved in some fish species of this water reservoir. PMID:22173787

  1. Structural insights into the metabolism of 2-chlorodibenzofuran by an evolved biphenyl dioxygenase

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Pravindra; Mohammadi, Mahmood; Dhindwal, Sonali; Pham, Thi Thanh My; Bolin, Jeffrey T.; Sylvestre, Michel (INRS); (IIT-India); (Purdue)

    2012-06-28

    The biphenyl dioxygenase of Burkholderia xenovorans LB400 (BphAE{sub LB400}) is a Rieske-type oxygenase that catalyzes the stereospecific oxygenation of many heterocyclic aromatics including dibenzofuran. In a previous work, we evolved BphAE{sub LB400} and obtained BphAE{sub RR41}. This variant metabolizes dibenzofuran and 2-chlorodibenzofuran more efficiently than BphAE{sub LB400}. However, the regiospecificity of BphAE{sub RR41} toward these substrates differs. Dibenzofuran is metabolized principally through a lateral dioxygenation whereas 2-chlorodibenzofuran is metabolized principally through an angular dioxygenation. In order to explain this difference, we examined the crystal structures of both substrate-bound forms of BphAE{sub RR41} obtained under anaerobic conditions. This structure analysis, in combination with biochemical data for a Ser283Gly mutant provided evidences that the substrate is compelled to move after oxygen-binding in BphAE{sub RR41}:dibenzofuran. In BphAE{sub RR41}:2-chlorodibenzofuran, the chlorine atom is close to the side chain of Ser283. This contact is missing in the BphAE{sub RR41}:dibenzofuran, and strong enough in the BphAE{sub RR41}:2-chlorodibenzofuran to help prevent substrate movement during the catalytic reaction.

  2. Particle-Dissolved Phase Partition of Polychlorinated Biphenyls in High Altitude Alpine Lakes.

    Science.gov (United States)

    Nellier, Yann-Michel; Perga, Marie-Elodie; Cottin, Nathalie; Fanget, Philippe; Naffrechoux, Emmanuel

    2015-08-18

    We investigated whether polychlorinated biphenyls (PCBs) partitioning between the dissolved and particulate phases in two high altitude alpine lakes was determined by the quantity, size structure, or composition of suspended particles. Within- and between-lakes differences in water-particulate phase partition coefficient (Kp) were not related to total suspended matter, phytoplankton biomass, or taxonomic composition. Yet, a seasonal relationship between Kp and Kow was detected for both lakes, revealing equilibrium of PCBs partition when lakes were ice covered. On the contrary, PCBs partitioning between particles and water appeared kinetically limited during the open water season. Partition is therefore mainly governed by thermodynamic laws during the ice-covered period, while none of the tested physical or biological parameters seemed to explain the distribution of these particle-reactive contaminants in the open water period. PCBs were always mainly associated with particulate matter, but partitioning within different particulate size-fractions varied between seasons and between years during open water periods. When ice cover is absent, PCBs were mainly adsorbed on microplankton, the largest phytoplanktonic size fraction, which is the least likely to get grazed by pelagic microconsumers. PMID:26189929

  3. Uptake of polychlorinated biphenyls and organochlorine pesticides from soil and air into radishes (Raphanus sativus)

    Energy Technology Data Exchange (ETDEWEB)

    Mikes, Ondrej; Cupr, Pavel [RECETOX, Research Centre for Environmental Chemistry and Ecotoxicology, Masaryk University, Kamenice 126/3, 625 00 Brno (Czech Republic); Trapp, Stefan [Department of Environmental Engineering, Technical University of Denmark, Miljoevej 113, DK-2800 Kgs. Lyngby (Denmark); Klanova, Jana [RECETOX, Research Centre for Environmental Chemistry and Ecotoxicology, Masaryk University, Kamenice 126/3, 625 00 Brno (Czech Republic)], E-mail: klanova@recetox.muni.cz

    2009-02-15

    Uptake of organochlorine pesticides and polychlorinated biphenyls from soil and air into radishes was measured at a heavily contaminated field site. The highest contaminant concentrations were found for DDT and its metabolites, and for {beta}-hexachlorocyclohexane. Bioconcentration factor (BCF, defined as a ratio between the contaminant concentration in the plant tissue and concentration in soil) was determined for roots, edible bulbs and shoots. Root BCF values were constant and not correlated to log K{sub OW}. A negative correlation between BCF and log K{sub OW} was found for edible bulbs. Shoot BCF values were rather constant and varied between 0.01 and 0.22. Resuspended soil particles may facilitate the transport of chemicals from soil to shoots. Elevated POP concentrations found in shoots of radishes grown in the control plot support the hypothesis that the uptake from air was more significant for shoots than the one from soil. The uptake of POPs from air was within the range of theoretical values predicted from log K{sub OA}. - Uptake from air represented for majority of persistent organochlorines a dominant pathway into shoots while uptake from soil was dominant for roots.

  4. Levels and Distribution of Polychlorinated Biphenyls in Jeddah Coastal Sediments, Red Sea, Saudi Arabia

    International Nuclear Information System (INIS)

    Thirty sediment samples were collected from six sites in Jeddah coast, Red Sea to assess the concentration levels of polychlorinated biphenyls (PCBs). Concentrations of 19 PCBs at the study area were ranged from 0.58 to 15.63 ng/g dry weight. The highest concentrations were recorded in the semi closed lagoons Al-Shabab and Al-Arbaeen (sites 4 and 5) which are highly influenced by sewage dumping. Textural classification of the sediments was found to be highly correlated with PCBs concentrations. PCB congener = 87 (penta-CB) showed the highest concentration among the 19 PCBs congeners. The descending order of different PCBs congeners was: penta-CB and gt; tetra-CB and gt; hexa-CB and gt; mono-CB and gt; tri-CB and gt; hepta-CB and gt; nona-CB. The medium PCBs congeners penta-, tetra- and hexa-CBs represented the major components at all sites. Aerobic and anaerobic environmental conditions change the homologue percentage in all stations. The contamination levels of PCBs in all sites were found to be below the two common sediment quality guidelines; the effects range-low value (ERL) and the threshold effects level (TEL). (author)

  5. Effects of liver damage induced by polychlorinated biphenyls (PCB) on cadmium metabolism in mice

    International Nuclear Information System (INIS)

    Polychlorinated biphenyls (PCB) were added to the diets of mice at different concentrations. Mice fed these diets were given a sc or oral doses of 109Cd. The uptake and excretion of Cd was followed by whole-body counting. The gastrointestinal absorption of Cd after an oral dose of 109Cd was less in animals fed on 66 ppm PCB diet, compared with a control group, and the body elimination of Cd was faster. In the liver, the amount of Cd was reduced by dietary PCB exposure, after both oral and sc administration of 109Cd, and the data suggest a faster transport of Cd from liver to kidneys in PCB-exposed animals than in controls. The mobilized liver Cd was not quantitatively recovered in the kidneys, thus increased urinary excretion due to PCB exposure may have taken place. Histological examination of the livers revealed a dose-dependent induction of liver changes characterized by centrilobular enlargement of liver cells and centrilobular focal necroses. In four of eight livers from animals fed 200 ppm PCB for 32 weeks there were five liver cell tumors with cytological signs of malignancy. In the control group and in groups fed lower doses of PCB (10-100 ppm) no such tumors were found among 28 animals. The results support observations made with agents inducing acute liver damage, that liver damage increases the rate of redistribution of cadmium from the liver to the kidney

  6. Placental markers of human exposure to polychlorinated biphenyls and polychlorinated dibenzofurans

    International Nuclear Information System (INIS)

    These studies have evaluated biochemical changes in placentae from humans exposed to rice oil contaminated with polychlorinated biphenyls (PCBs) and polychlorinated dibenzofurans (PCDFs) in Taiwan. Placentae were obtained from nonsmoking women 4 to 5 years after the exposure had occurred. The exposed individuals ingested approximately 1 to 3 g PCBs and 5 mg PCDFs, and many exhibited symptoms characteristic of PCB poisoning. This disease was termed Yu-Cheng in Chinese. Based on data from experimental animals models, the authors examined a number of parameters in placentae from control and exposed women, including arylhydrocarbon hydroxylase (AHH) activity, cytochrome P-450 isozymes, epidermal growth factor (EGF) receptor binding properties and actions, and Ah receptor. They also quantified concentrations of various PCB and PCDF congeners known to be present in the contaminated rice oil. The results revealed a dramatic elevation in placental AHH activity in samples from PCB/PCDF-exposed women. This increase in enzyme activity was associated with a parallel increase in placental microsomal protein immunochemically related to cytochrome P-450 form 6. EGF receptor-mediated autophosphorylation capacity was significantly diminished in PCB/PCDF placentae, but this effect was not associated with changes in plasma membrane EGF receptor binding properties. Two PCDF congeners were detected in Yu-Cheng placentae but not controls. Several PCBs were also detected in much higher concentrations in Yu-Cheng placentae. Surprisingly, placental concentrations of PCBs correlated better with effects than did the PCDFs. The findings are discussed in relation to the risk assessment process

  7. Vertical distribution of polychlorinated biphenyl congeners in sediment core from Thane Creek area of Mumbai, India

    International Nuclear Information System (INIS)

    In recent years there has been a growing concern all over the globe about the marine pollution due to persistent organic pollutants. Sediments, which is an important component of marine environment can serve as sorbent or concentrator for various persistent organic pollutants including Polychlorinated Biphenyls (PCBs). Transport and fate of PCB congeners in sediment depends on their physicochemical characteristics. In this study, the depth profile of accumulated PCBs in Thane Creek sediments of Mumbai, India, was studied. The sediment core samples were collected using a gravity corer, processed and analysed for different PCB congeners. Analysis of PCBs in the sediment samples were carried out using gas chromatography system equipped with electron capture detector. The study on vertical distribution of PCBs in sediment could reflect the geochemical history including changes due to anthropogenic releases into the system. The surface segment shows the downward trend for these compounds, indicating slow phase out of PCBs after ban. The concentration and composition of different homologues varies at different depth. An attempt has also been made to find out the various sources of PCBs which could have contributed to these compounds by performing factor analysis over the observed concentrations of the PCB compounds in the core sediment.

  8. Management of the Polychlorinated Biphenyl Inventory in the Double Shell Tank (DST) System

    International Nuclear Information System (INIS)

    Some Double-Shell Tanks (DST) have received small quantities of PCBs in historic waste shipments. For this reason at least some DST waste has been determined to be PCB remediation waste by the U.S. Department of Energy, Office of River Protection (ORP) and the United States Environmental Protection Agency (EPA). This determination was documented on August 31, 2000 in the ''Framework Agreement for Management of Polychlorinated Biphenyls (PCBs) in Hanford Tank Waste'' (Boston, et al.). PCB remediation waste is a new category of waste promulgated in the 1998 revision to the Toxic Substances Control Act (TSCA) commonly called the Mega-Rule. The applicability of TSCA to tank farm waste resulted in the application of new requirements and the necessity to manage and track PCBs in tank waste. This document describes the principal methods of managing PCBs in the DST system. This document also describes waste acceptance criteria to be used in evaluating the acceptability of waste containing PCBs. The main purpose behind the transfer controls and PCB waste acceptance criteria is to ensure that the waste can be adequately treated in the Waste Treatment (vitrification) Plant. These criteria may change as additional information on the treatment plant's capability becomes available

  9. Primary source regions of polychlorinated biphenyls (PCBs) measured in the Arctic

    Science.gov (United States)

    Ubl, Sandy; Scheringer, Martin; Stohl, Andreas; Burkhart, John F.; Hungerbuhler, Konrad

    2012-12-01

    We investigate the source regions of the three polychlorinated biphenyl congeners (PCBs) 28, 101, and 180 measured at the Arctic stations Alert and Zeppelin, and at Birkenes, which is located in southern Norway. Although the Arctic is remote from the main use areas of these chemicals, PCBs have been found in Arctic air, seawater and biota, which has caused concerns for human and environmental health. We used 20-day backward calculations of the Lagrangian Particle Dispersion Model FLEXPART to identify the origin of air masses associated with the 20% highest and lowest measured PCB concentrations. At Birkenes, high concentrations are clearly associated with air masses arriving from known source regions (primarily in Europe and Russia), whereas low concentrations are correlated with atmospheric transport from regions with low primary emissions. At Zeppelin, the influence from known source regions is also enhanced when high PCB-28 and PCB-101 concentrations were measured. At Alert, in contrast, there is no clear link between high/low PCB concentrations and atmospheric transport from source/non-source regions. Additionally, we combined the atmospheric transport patterns with PCB emission data to identify important source regions and their seasonal variability. For the Arctic stations, Western Russia is the dominant source region for PCB-28 and PCB-101. Central Europe is the most important source region for PCB-180, but sources in the US contribute up to 15% to PCB-180 measured at Alert.

  10. Congener-specific egg contribution of polychlorinated biphenyls to nestlings in two passerine species

    International Nuclear Information System (INIS)

    Quantifying polychlorinated biphenyl (PCB) residues in nestlings of avian species is a common method for assessing trophic transfer and risk at PCB-contaminated sites. The proportion of nestling PCB mass due to maternal transfer is often accounted for by subtracting total PCB mass in eggs from nestlings. However, variation in physicochemical properties and metabolism among congeners may lead to differences between egg contribution based on total PCBs and dioxin-like congeners. We examined congener-specific variation in contribution of PCBs from eggs to nestlings in tree swallows and European starlings. Egg contribution of total PCB mass was 14.3 and 16.2%, respectively, whereas contribution based on dioxin-like congeners was 14.8 and 13.6%, respectively. These data suggest that using total PCB mass in eggs to adjust estimates of PCB accumulation in nestlings may not reflect patterns for dioxin-like congeners, potentially over or under-estimating the risk of toxicity of PCBs. - Congener-specific contribution of PCBs from egg to nestlings was examined.

  11. A Preliminary Link between Hydroxylated Metabolites of Polychlorinated Biphenyls and Free Thyroxin in Humans

    Science.gov (United States)

    Dirinck, Eveline; Dirtu, Alin C.; Malarvannan, Govindan; Covaci, Adrian; Jorens, Philippe G.; Van Gaal, Luc F.

    2016-01-01

    Background: Polychlorinated biphenyls (PCBs) and their hydroxylated metabolites (HO-PCBs) interfere with thyroid hormone action both in vitro and in vivo. However, epidemiologic studies on the link between PCB exposure and thyroid function have yielded discordant results, while very few data are available for HO-PCBs. Objectives: Our study aimed at investigating the relationship between clinically available markers of thyroid metabolism and serum levels of both PCBs and HO-PCBs. Subjects and Methods: In a group of 180 subjects, thyroid-stimulating hormone (TSH) and free thyroxin (fT4), 29 PCBs (expressed both in lipid weight and in wet weight) and 18 HO-PCBs were measured in serum. Results: In regression models, adjusted for gender, age, current smoking behavior, BMI and total lipid levels, serum levels of 3HO-PCB118 and 3HO-PCB180, and PCB95lw, PCB99lw and PCB149lw were independent, significant predictors of fT4. A stepwise, multiple regression with gender, age, current smoking behavior, BMI and total lipid levels and all five previously identified significant compounds retained age, BMI, PCB95lw, PCB99lw and 3HO-PCB180 as significant predictors of fT4. TSH levels were not predicted by serum levels of any of the PCBs or HO-PCBs. Conclusions: Our study indicates that in vivo, circulating fT4 levels can be linked to serum levels of several PCBs and hydroxylated PCB metabolites. PMID:27089353

  12. Polychlorinated biphenyls in coastal tropical ecosystems: Distribution, fate and risk assessment

    International Nuclear Information System (INIS)

    Polychlorinated biphenyls (PCBs) though banned still find use in most developing countries including Ghana. PCB congener residues in sediments in the coastal regions of Ghana were determined. Sediment samples (n=80) were collected between June 2008 and March 2009, extracted by the continuous soxhlet extraction using (1:1) hexane-acetone mixture for 24 h and analyzed with a CP 3800 gas chromatogram equipped with 65Ni electron capture detector (GC–ECD) and a mixed PCBs standard of the ICES 7 as marker, after clean-up. Validation of the efficiency and precision of the extraction and analytical methods were done by extracting samples spiked with 2 ppm ICES PCB standard and a certified reference material 1941b for marine sediments from NIST, USA, and analyzed alongside the samples. Total PCBs detected in sediments during the dry and wet seasons were, respectively, 127 and 112 μg/kg dry weight (dw), with a mean concentration of 120 μg/kg (dw). The composition of PCB homologues in the sediments were dominated by tri-, penta- and tetra-PCBs. There was no correlation between organic carbon (OC) of the sediments and total PCBs content. Risk assessments conducted on the levels indicated that PCB levels in sediments along the coastal region of Ghana poses no significant health risk to humans.

  13. Electron ionization mass spectral fragmentation study of sulfation derivatives of polychlorinated biphenyls

    Directory of Open Access Journals (Sweden)

    Robertson Larry W

    2009-03-01

    Full Text Available Abstract Background Polychlorinated biphenyls are persistent organic pollutants that can be metabolized via hydroxylated PCBs to PCB sulfate metabolites. The sensitive and selective analysis of PCB sulfate monoesters by gas chromatography-mass spectrometry (GC-MS requires their derivatization, for example, as PCB 2,2,2-trichloroethyl (TCE sulfate monoesters. To aid in the identification of unknown PCB sulfate metabolites isolated from biological samples, the electron impact MS fragmentation pathways of selected PCB TCE sulfate diesters were analyzed and compared to the fragmentation pathways of the corresponding methoxylated PCBs. Results The most abundant and characteristic fragment ions of PCB TCE sulfate diesters were formed by releasing CHCCl3, SO3, HCl2 and/or CCl3 from the TCE sulfate moiety and Cl2, HCl, ethyne and chloroethyne from an intermediate phenylcyclopentadienyl cation. The fragmentation pattern depended on the degree of chlorination and the position of the TCE sulfate moiety (i.e., ortho vs. meta/para to the second phenyl ring, but were independent of the chlorine substitution pattern. These fragmentation pathways are similar to the fragmentation pathways of structurally related methoxylated PCBs. Conclusion Knowledge of the fragmentation patterns of PCB TCE sulfate diesters will greatly aid in determining the position of sulfate moiety (ortho vs. meta/para of unknown PCB sulfate metabolites isolated from environmental or laboratory samples.

  14. Polychlorinated biphenyls in freshwater salmonids from the Kerguelen Islands in the Southern Ocean

    International Nuclear Information System (INIS)

    The Subantarctic Kerguelen Islands (49oS, 70oE) contain freshwater ecosystems among the most isolated in the world. Concentrations of polychlorinated biphenyls (PCBs) were assessed in the muscle of 48 brook trout and 38 brown trout caught during summer and spring 2006 in the rivers, lakes and ponds of Kerguelen. The sum of 29 PCBs averaged 404 and 358 ng g-1 lipid, and dioxin-like PCB was 19 and 69 ng g-1 lipid, in brook and brown trout, respectively. The values showed a high variability and some fish accumulated PCBs at levels similar to those of fish from impacted areas. While inter-sex differences were limited, the season and the morphotype appeared to have the most influence. Fish captured in summer had muscle PCB concentrations about three times higher than those caught in spring and the 'river' morphotype of brook trout showed the highest PCB levels. - Highlights: → First assessment of PCB contamination of biota in Kerguelen Islands, Sub-Antarctica. → PCB bioaccumulation level in trout varies from very high to undetectable. → Habitat and morphotype are the most influential factors on the variability. → Distribution pattern of PCBs in the muscle of fish is morphotype dependent. - Salmonids in hydrosystems of the Kerguelen Islands (Southern Ocean) show a high PCB bioaccumulation.

  15. Thermo-chemical destruction of polychlorinated biphenyls (PCBs) in waste insulating oil

    International Nuclear Information System (INIS)

    The feasibility of thermo-chemical destruction of polychlorinated biphenyls (PCBs) was investigated using a batch reactor and two different (vertical and horizontal) types of continuous reactor. A simple batch reactor was first designed and constructed to examine applicability of thermal-chemical destruction of PCBs. It was evidenced from the batch test results that the destruction of PCBs in the insulating oil (40% PCBs, w/w) was accomplished via abiotic dechlorination and mineralization of PCBs with quicklime at 600 deg C under nitrogen environment. PCB destruction efficiencies were obtained about 99.95%. The reaction was exothermic resulting release of heat by which the reactor temperature suddenly increased up to 750 deg C at the incipient 30 min of the experiment. Two major end products, CaCl2 and carbon, were identified. For a practical purpose, two continuous reactors were developed and tested. The observed continuous test results indicate that over 99.99% of PCB destruction efficiencies were achieved when excess quicklime (>3Ca:1Cl2 as a molar basis) was used. Specifically, the horizontal continuous reactor was suitable in view of ease of solid transfer, which is essential for complete destruction of PCBs and for full-scale applications

  16. PCB [polychlorinated biphenyls] transformer liability elimination: Carcass destruct vs. the alternatives

    International Nuclear Information System (INIS)

    Askarel fluid filled transformers are still in service extensively throughout the United States. Owners of these tranformers have three choices: continue to operate the equipment, managing the risk while keeping the polychlorinated biphenyls (PCBs) in place; attempt to retrofill and reclassify the tranformers to non-PCB status; or remove the transformers from service and dispose of them. Total destruction of transformer carcasses and recycling of metals offers two important benefits: an end to the transformer is defined, as well as an end to the owner's liability, and the process is environmentally acceptable. Landfill of transformer carcasses fails to end liability, and is likely to lead to leakage and ground contamination for which the owner will be held partly liable. Retrofill of transformers is not a cost effective method for reducing liability, for the following reasons. High PCB concentrations can remain in components of the tranformer, and reclassification can take 15-24 months. Some 30% of processor method units and 60% of retrofill units leach back to 50 ppM PCB, frequently within one year. High levels of PCB are often contained in paper and wood inside the transformer. The cleaning fluid (perchloroethylene) presents environmental and health hazards, and may be incompatible with electrical equipment. Continued operation of units poses occupational, exposure, regulatory and environmental risks. 4 tabs

  17. Polychlorinated Biphenyls Induce Mitochondrial Dysfunction in SH-SY5Y Neuroblastoma Cells.

    Directory of Open Access Journals (Sweden)

    Stefania Cocco

    Full Text Available Chronic exposure to polychlorinated biphenyls (PCBs, ubiquitous environmental contaminants, can adversely affect the development and function of the nervous system. Here we evaluated the effect of PCB exposure on mitochondrial function using the PCB mixture Aroclor-1254 (A1254 in SH-SY5Y neuroblastoma cells. A 6-hour exposure to A1254 (5 μg/ml reduced cellular ATP production by 45%±7, and mitochondrial membrane potential, detected by TMRE, by 49%±7. Consistently, A1254 significantly decreased oxidative phosphorylation and aerobic glycolysis measured by extracellular flux analyzer. Furthermore, the activity of mitochondrial protein complexes I, II, and IV, but not V (ATPase, measured by BN-PAGE technique, was significantly reduced after 6-hour exposure to A1254. The addition of pyruvic acid during exposure to A1254 significantly prevent A1254-induced cell injury, restoring resting mitochondrial membrane potential, ATP levels, oxidative phosphorylation and aerobic glycolysis. Furthermore, pyruvic acid significantly preserved the activity of mitochondrial complexes I, II and IV and increased basal activity of complex V. Collectively, the present results indicate that the neurotoxicity of A1254 depends on the impairment of oxidative phosphorylation, aerobic glycolysis, and mitochondrial complexes I, II, and IV activity and it was counteracted by pyruvic acid.

  18. Photocatalytic removal of polychlorinated biphenyls (PCBs) using carbon-modified titanium oxide nanoparticles

    Science.gov (United States)

    Shaban, Yasser A.; El Sayed, Mohamed A.; El Maradny, Amr A.; Al Farawati, Radwan Kh.; Al Zobidi, Mosa I.; Khan, Shahed U. M.

    2016-03-01

    In this work, the sonicated sol-gel method was used for synthesizing carbon-modified titanium oxide nanoparticles. Carbon incorporation was achieved by using titanium (IV) isopropoxide as a titanium and carbon-containing precursor. The photocatalytic efficiency of the synthesized photocatalyst was assessed by examining the photocatalytic removal of polychlorinated biphenyls (PCBs) from aqueous solution. For comparison, unmodified (regular) titanium dioxide (n-TiO2) was used as a reference catalyst. To confirm the carbon incorporation in CM-n-TiO2 nanoparticles, energy dispersive spectroscopy (EDS) analysis was used. Significantly, the bandgap energy was found to be reduced from 2.99 eV for n-TiO2 to 1.8 eV for CM-n-TiO2, which in turn improved the performance of CM-n-TiO2 toward the photocatalytic removal of PCBs. The effects of CM-n-TiO2 loading, PCBs concentration, and pH of the solution on the photodegradation rate of PCBs were investigated. The highest removal rate was found to be at pH 5 and CM-n-TiO2 loading of 0.5 g L-1. According to Langmuir-Hinshelwood model, the photodegradation of PCBs using CM-n-TiO2 followed a pseudo-first order reaction kinetics.

  19. Remediation of soils contaminated with polychlorinated biphenyls by microwave-irradiated manganese dioxide

    International Nuclear Information System (INIS)

    The removal of polychlorinated biphenyls (PCBs) using microwave-irradiated manganese dioxide (MnO2) in PCB-contaminated soils under different conditions is investigated. The removal of PCB77 in two actual soil samples exhibits strong pH-dependent behavior, and the removal efficiency is higher in acidic soil (Ali-Perudic Ferrosols) than that in neutral soil (Udic Argosols). The removal kinetics of PCB77 using microwave-irradiated MnO2 under different experimental conditions fits a pseudo-first-order kinetic model well. Both the removal efficiency and the kinetic constant (k) values of PCB77 in Ali-Perudic Ferrosols considerably increase, although in a nonlinear fashion, as the initial amount of MnO2 is increased, as the treated soil mass is increased, and as the microwave power is increased. The reactivity of three PCBs (PCB28, PCB77, and PCB118) did not present as a function of the degree of chlorination in the reaction with microwave-irradiated MnO2. The pronounced removal of three PCBs in contaminated soil (all above 95%) indicates that MnO2 in combination with microwave irradiation is promising for technological applications that seek to remediate sites critically polluted with PCBs.

  20. 1H NMR metabolomics of earthworm responses to polychlorinated biphenyl (PCB) exposure in soil.

    Science.gov (United States)

    Whitfield Åslund, Melissa L; Simpson, André J; Simpson, Myrna J

    2011-06-01

    (1)H NMR-based metabolomics was used to examine the metabolic profile of D(2)O-buffer extracted tissues of Eisenia fetida earthworms exposed for 2 days to an artificial soil spiked with sub-lethal concentrations of polychlorinated biphenyls (PCBs) (0, 0.5, 1, 5, 10, or 25 mg/kg Aroclor 1254). Univariate statistical analysis of the identified metabolites revealed a significant increase in ATP concentration in earthworms exposed to the highest soil PCB concentration, but detected no significant changes in other metabolites. However, a multivariate approach which considers alterations in multiple metabolites simultaneously, identified a significant linear relationship between earthworm metabolic profiles and PCB concentration (cross-validated PLS-regression with 7 components, R(2)X = 0.99, R(2)Y = 0.77, Q(2)Y = 0.45, P earthworms (r = 0.22, P = 0.54), but were positively correlated in earthworms from the 25 mg/kg treatment (r = 0.87, P = 0.001). Overall, the observed metabolic responses suggest that PCBs disrupted both carbohydrate (energy) metabolism and membrane (osmolytic) function in E. fetida. The ability of (1)H NMR-based metabolomics to detect these responses suggests that this method offers significant potential for direct assessment of sub-lethal PCB toxicity in soil. PMID:21424327

  1. Polychlorinated biphenyls (PCBs) residues in milk from an agroindustrial zone of Tuxpan, Veracruz, Mexico.

    Science.gov (United States)

    Pérez, J Jesús; León, Salvador Vega Y; Gutiérrez, Rey; López, Yanet; Faure, Roberto; Escobar, Arturo

    2012-10-01

    The coasts of the Gulf of Mexico are zones exposed to the exploration and exploitation of petroleum sources, and the products generated in agricultural zones may become contaminated by persistent organic pollutants (POPs). The objective of the present study was to evaluate the presence of polychlorinated biphenyl compounds (PCBs) in milk from dairy production units near sources of environmental pollutants. It was confirmed that the seven congeners of nondioxin-like PCBs (NDL-PCBs) are present in milk where compounds PCB101, PCB118, PCB153 and PCB180 appear in 100% of the samples analyzed, the rank of concentration for the sum of the seven congeners fluctuating between 2.6 and 26 ng g(-1) with a median of 6 ng g(-1). None of the samples surpassed the provisional value established by the EU of 40 ng g(-1) of milk fat for the sum of the seven congeners, indicator that was not affected by the season of the year (pmilk do not represent a problem for human health; however, they alert the existence of spontaneously generated, uncontrolled sources that may represent a potential danger for human and animal health. PMID:22739542

  2. Temporal Trends of Hexabromocyclododecane, Polybrominated Diphenyl Ethers and Polychlorinated Biphenyls in Ringed Seals from East Greenland

    DEFF Research Database (Denmark)

    Vorkamp, Katrin; Riget, Frank Farsø; Bossi, Rossana;

    2011-01-01

    Concentrations of hexabromocyclododecane (HBCD) were determined in a combination of archived and fresh blubber samples of juvenile ringed seals from East Greenland collected between 1986 and 2008. R-HBCD was the only diastereoisomer consistently above levels of quantification and showed a signifi......Concentrations of hexabromocyclododecane (HBCD) were determined in a combination of archived and fresh blubber samples of juvenile ringed seals from East Greenland collected between 1986 and 2008. R-HBCD was the only diastereoisomer consistently above levels of quantification and showed...... on polybrominated diphenyl ethers (PBDEs) and polychlorinated biphenyls (PCBs) have been extended with new data for 2006 and 2008. ΣPBDE in juvenile seals was the only parameter with a slight upward trend, however, dependent on the low 1986 concentration. Removing this data point resulted in a downward trend, which...... also was found for adult seals with a time trend starting in 1994. ΣPCB decreased significantly in juvenile seals, again due to the 1986 value, while no trend was found for the adult animals. This indicates stagnating PCB concentrations at a relatively high level, in some cases possibly exceeding...

  3. Assessing ongoing sources of dissolved-phase polychlorinated biphenyls in a contaminated stream.

    Science.gov (United States)

    Dang, Viet D; Walters, David M; Lee, Cindy M

    2013-03-01

    Few studies assess the potential of ongoing sources of "fresh" polychlorinated biphenyls (PCBs) to aquatic systems when direct discharge to the environment has been eliminated. In the present study, the authors used single-layered, low-density polyethylene samplers (PEs) to measure total PCB concentrations, congener profiles, and enantiomeric fractions (EFs) in a contaminated stream and to provide multiple lines of evidence for assessing ongoing inputs of PCB. Concentrations were well above background levels that have been monitored for years. Concentrations significantly increased with distance, the farthest downstream PE concentrations being almost five times greater than those at 79 m downstream of a historical point source. The PCBs in the PEs at 79 m downstream of the contamination source were dominated by low K(OW) congeners, similar to those in the mixture of Aroclors 1016 and 1254 (4:1 v/v) historically released from the former capacitor manufacturer. The only two chiral congeners detected in the PEs downstream were PCBs 91 and 95. The EF values were nonracemic for PCB 91, while the values were either racemic or near racemic for PCB 95. Increased PCB concentrations with distance and a congener composition of predominantly low-weight congeners in the PEs at 79 m downstream of the plant site suggested an ongoing PCB source from the plant site. Chiral signatures suggested aerobic biotransformation of dissolved PCBs but did not shed any light on possible ongoing PCB inputs. PMID:23258773

  4. Assessing atmospheric concentration of polychlorinated biphenyls (PCBs) by evergreen Rhododendron maximum next to a contaminated stream

    Science.gov (United States)

    Dang, Viet D.; Walters, David; Lee, Cindy M.

    2016-01-01

    Conifers are often used as an “air passive sampler”, but few studies have focused on the implication of broadleaf evergreens to monitor atmospheric semivolatile organic compounds such as polychlorinated biphenyls (PCBs). In this study, we used Rhododendron maximum (rhododendron) growing next to a contaminated stream to assess atmospheric PCB concentrations. The study area was located in a rural setting and approximately 2 km downstream of a former Sangamo-Weston (S-W) plant. Leaves from the same mature shrubs were collected in late fall 2010, and winter and spring 2011. PCBs were detected in the collected leaves suggesting that rhododendron can be used as air passive samplers in rural areas where active sampling is impractical. Estimated ΣPCB (47 congeners) concentrations in the atmosphere decreased from fall 2010 to spring 2011 with concentration means at 3990, 2850, and 931 pg m-3 in fall 2010, winter 2011, and spring 2011, respectively. These results indicate that the atmospheric concentrations at this location continue to be high despite termination of active discharge from the former S-W plant. Leaves had a consistent pattern of high concentrations of tetra- and penta-CBs similar to the congener distribution in polyethylene (PE) passive samplers deployed in the water column suggesting that volatilized PCBs from the stream were the primary source of contaminants in rhododendron leaves.

  5. Assessing ongoing sources of dissolved-phase polychlorinated biphenyls in a contaminated stream

    Science.gov (United States)

    Dang, Viet D.; Walters, David M.; Lee, Cindy M.

    2013-01-01

    Few studies assess the potential of ongoing sources of “fresh” polychlorinated biphenyls (PCBs) to aquatic systems when direct discharge to the environment has been eliminated. In the present study, the authors used single-layered, low-density polyethylene samplers (PEs) to measure total PCB concentrations, congener profiles, and enantiomeric fractions (EFs) in a contaminated stream and to provide multiple lines of evidence for assessing ongoing inputs of PCB. Concentrations were well above background levels that have been monitored for years. Concentrations significantly increased with distance, the farthest downstream PE concentrations being almost five times greater than those at 79 m downstream of a historical point source. The PCBs in the PEs at 79 m downstream of the contamination source were dominated by low KOW congeners, similar to those in the mixture of Aroclors 1016 and 1254 (4:1 v/v) historically released from the former capacitor manufacturer. The only two chiral congeners detected in the PEs downstream were PCBs 91 and 95. The EF values were nonracemic for PCB 91, while the values were either racemic or near racemic for PCB 95. Increased PCB concentrations with distance and a congener composition of predominantly low-weight congeners in the PEs at 79 m downstream of the plant site suggested an ongoing PCB source from the plant site. Chiral signatures suggested aerobic biotransformation of dissolved PCBs but did not shed any light on possible ongoing PCB inputs.

  6. High-pressure extraction of polychlorinated biphenyls from soils and other fine-grained solids

    International Nuclear Information System (INIS)

    Four doped and three really contaminated samples were subjected to high-pressure PCB (polychlorinated biphenyl) extraction in a laboratory-scale experimental plant using CO2 (carbon dioxide) as solvent. The PCB levels (sum out of the six key substances) of the real samples were 2.6, 6.8, and 139 mg/kg. The success of the cleaning process was determined by measuring the residual PCB levels in the soil after the extraction. Parameters were varied and samples were taken selectively from various points in the bed (length 270 mm, diameter 14 mm, weighed - in soil 50-60 g) in order to gain an idea of the effects of upscaling. The following parameters were varied: extraction temperature 40-90 C; extraction pressure 200-300 bar; CO2 flow rate 3.6-14.6 g/min; CO2 quantity 0-328 g; degree of contamination (doped samples) 12-60 mg/kg; soil moisture 0-15%; particle size 0-2000 μm; entraining agent methanol, ethanol, acetone; proportion of entraining agent 0-7.5% by weight. Furthermore the influence of moisture at the time of doping on extraction was examined. (orig./ABI)

  7. A review of the neurotoxicity of non-dioxin-like polychlorinated biphenyls

    Energy Technology Data Exchange (ETDEWEB)

    Seegal, R. [Albany Univ., NY (United States). Wadsworth Center, New York State Dept. of Health and School of Public Health

    2004-09-15

    It is perhaps both presumptuous and somewhat nostalgic for me to present research findings from both myself and others describing the changes in central nervous system (CNS) function that occur following exposure to non-dioxin-like polychlorinated biphenyls (PCBs) at the 2004 Dioxin meeting. Presumptuous because my presentation occurs during this meeting where the majority of the research is concerned with the consequences of exposure to dioxins (the most toxic substance produced by man) and nostalgic because, in 1992, I presented some of my earliest work demonstrating that non-dioxin-like PCBs were capable of significantly altering neurochemical function. Much has changed in the intervening twelve years. Laboratories in the United States and Europe now routinely study and describe the neurotoxicological effects of developmental and in vitro exposure to non-dioxin-like PCBs. My task will be to briefly describe the highlights of that research and suggest additional approaches that will hopefully increase our ability to understand the mechanisms of action of non-dioxin-like PCBs on neuronal and behavioral function in populations of exposed humans.

  8. Polychlorinated biphenyl (PCB) induction of CYP3A4 enzyme activity in healthy Faroese adults

    DEFF Research Database (Denmark)

    Petersen, Maria Skaalum; Halling, Jónrit; Damkier, Per;

    2007-01-01

    The CYP3A4 enzyme is, along with other cytochrome P450 enzymes, involved in the metabolism of environmental pollutants and is highly inducible by these substances. A commercial polychlorinated biphenyl (PCB) mixture, 1,1,1,-trichloro-2-(o-chlorophenyl), 2-(p'-chlorophenyl)ethane (o,p'-DDT) and 1......,1,-dichloro-2,2-bis (p-chlorophenyl)ethene (p,p'-DDE) are known to induce CYP3A4 activity through activation of nuclear receptors, such as the pregnane X receptor. However, this induction of CYP3A4 has not yet been investigated in humans. Thus, the aim of the study was to determine the variability of the CYP3......A4 phenotype in regard to increased concentrations of PCBs and other persistent organohalogen pollutants (POPs) in healthy Faroese adults. In 310 randomly selected Faroese residents aged 18-60 years, the CYP3A4 activity was determined based on the urinary 6beta-hydroxycortisol/cortisol (6beta...

  9. CONTAMINATION OF POLYCHLORINATED BIPHENYLS IN FISHES LEADING TO TOXICITY IN FISH CONSUMING POPULATION

    Directory of Open Access Journals (Sweden)

    Govind Pandey

    2012-12-01

    Full Text Available The pollution of rivers and streams with chemical contaminants has become one of the most critical environmental problems. Similar to humans and other species of animals, fish have also been found to be polluted with a large number of pollutants/contaminants. Unintentionally added chemicals causing fish toxicity include organochlorine pesticides, polychlorinated biphenyls (PCBs and other persistent chemicals in feed, chemicals in construction materials, and metabolites and degradation products of intentionally added chemicals. High levels of PCBs have been reported in farmed fishes. The fishes caught in highly polluted water could cause cells of some kinds of cancers to multiply rapidly. The PCBs are persistent environmental contaminants that are ubiquitous in the environment due to intensive industrial use. Many PCB congeners persist in ambient air, water, marine sediments and soil at low levels throughout the world. Humans may be exposed to detectable quantities of PCBs when they eat fish, use fish oils in cooking, or consume meat, milk or cheese. The general population is exposed to PCBs by inhaling contaminated air and ingesting contaminated water and food. The toxic responses to PCBs are dermal toxicity, immunotoxicity, carcinogenicity, and adverse effects on reproduction, development and endocrine functions. Epidemiological studies indicate that consumption of background levels of PCBs may cause slight but measurable impairments in physical growth and learning behaviour in children.

  10. Effects of embryonic exposure to polychlorinated biphenyls (PCBs) on larval zebrafish behavior.

    Science.gov (United States)

    Lovato, Ava K; Creton, Robbert; Colwill, Ruth M

    2016-01-01

    Developmental disorders such as anxiety, autism, and attention deficit hyperactivity disorders have been linked to exposure to polychlorinated biphenyls (PCBs), a ubiquitous anthropogenic pollutant. The zebrafish is widely recognized as an excellent model system for assessing the effects of toxicant exposure on behavior and neurodevelopment. In the present study, we examined the effect of sub-chronic embryonic exposure to the PCB mixture, Aroclor (A) 1254 on anxiety-related behaviors in zebrafish larvae at 7 days post-fertilization (dpf). We found that exposure to low concentrations of A1254, from 2 to 26 h post-fertilization (hpf) induced specific behavioral defects in two assays. In one assay with intermittent presentations of a moving visual stimulus, 5 ppm and 10 ppm PCB-exposed larvae displayed decreased avoidance behavior but no significant differences in thigmotaxis or freezing relative to controls. In the other assay with intermittent presentations of a moving visual stimulus and a stationary visual stimulus, 5 ppm and 10 ppm PCB-exposed larvae had elevated baseline levels of thigmotaxis but no significant differences in avoidance behavior relative to controls. The 5 ppm larvae also displayed higher terminal levels of freezing relative to controls. Collectively, our results show that exposure to ecologically valid PCB concentrations during embryonic development can induce functional deficits and alter behavioral responses to a visual threat. PMID:26561944

  11. Assessment of atmospheric distribution of polychlorinated biphenyls and polycyclic aromatic hydrocarbons using polyparameter model

    Directory of Open Access Journals (Sweden)

    Turk-Sekulić Maja M.

    2011-01-01

    Full Text Available Results of partial or total destruction of industrial plants, military targets, infrastructure, uncontrolled fires and explosions during the conflict period from 1991 to 1999, at the area of Western Balkans, were large amounts of hazardous organic matter that have been generated and emitted in the environment. In order to assess gas/particle partition of seven EPA polychlorinated biphenyls and sixteen EPA polycyclic aromatic hydrocarbons, twenty air samples have been collected at six urban, industrial and highly contaminated localities in Vojvodina. Hi-Vol methodology has been used for collecting ambiental air samples, that simultaneously collects gaseous and particulate phase with polyurethane foam filters (PUF and glass fiber filters (GFF. PUF and GFF filters have been analyzed, and concentration levels of gaseous PCBs and PAHs molecules in gaseous and particulate phase were obtained, converted and expressed through fraction of individual compounds sorbed onto particulate phase of the sample, in total detected quantity. Experimentally gained gas/particle partitioning values of PCBs and PAHs molecules have been compared with PP-LFER model estimated values. Significant deviation has been noticed during comparative analysis of estimated polyparameter model values for complete set of seven PCBs congeners. Much better agreement of experimental and estimated values is for polycyclic aromatic hydrocarbons, especially for molecules with four rings. These results are in a good correlation with literature data where polyparameter model has been used for predicting gas/particle partition of studied group of organic molecules.

  12. Photo-activated fluorescence detection of polychlorinated biphenyls in environmental matrices

    Energy Technology Data Exchange (ETDEWEB)

    Kozin, I.S.; Kwan, W.C.; Tabash, S.P; Brown, R.S. (Queen' s Univ., Kingston, ON (Canada) Dept. of Chemistry and School of Environmental Studies)

    1999-01-01

    It is often possible to employ fluorescence detection directly with minimal sample treatment or clean-up with species that are inherently luminescent. It is desirable to have a rapid detection scheme for polychlorinated biphenyls, but these methods are not used because PCBs are weakly or non-fluorescent. A scheme for the photo-activation of fluorescence for the detection of PCBs is described. Experiments with standard PCB mixtures (Aroclor 1254 and 1260) showed that using UV-initiated photolysis can of PCBs in different solvent systems can dramatically increase the fluorescence intensity. Linear calibration curves for the Aroclor mixtures were observed from 10ppb to 10ppm, giving the possibility of PCB detection in crude sediments extracts below the parts-per-million level. Further work is in progress to determine the influence of PCB congener, extraction solvent and method, and photolysis kinetics and possible interferences. That this method can successfuly be applied to contaminated sediments is suggested by initial experiments with real-world samples. Abstract no. 860.

  13. Photo-activated fluorescence detection of polychlorinated biphenyls in environmental matrices

    Energy Technology Data Exchange (ETDEWEB)

    Kozin, I.S.; Kwan, W.C.; Tabash, S.P; Brown, R.S. [Queen`s Univ., Kingston, ON (Canada) Dept. of Chemistry and School of Environmental Studies

    1999-11-01

    It is often possible to employ fluorescence detection directly with minimal sample treatment or clean-up with species that are inherently luminescent. It is desirable to have a rapid detection scheme for polychlorinated biphenyls, but these methods are not used because PCBs are weakly or non-fluorescent. A scheme for the photo-activation of fluorescence for the detection of PCBs is described. Experiments with standard PCB mixtures (Aroclor 1254 and 1260) showed that using UV-initiated photolysis can of PCBs in different solvent systems can dramatically increase the fluorescence intensity. Linear calibration curves for the Aroclor mixtures were observed from 10ppb to 10ppm, giving the possibility of PCB detection in crude sediments extracts below the parts-per-million level. Further work is in progress to determine the influence of PCB congener, extraction solvent and method, and photolysis kinetics and possible interferences. That this method can successfuly be applied to contaminated sediments is suggested by initial experiments with real-world samples. Abstract no. 860.

  14. Importance of passive diffusion in the uptake of polychlorinated biphenyls by phagotrophic protozoa

    Energy Technology Data Exchange (ETDEWEB)

    Kujawinski, E.B.; Farrington, J.W.; Moffett, J.W.

    2000-05-01

    Unicellular protozoan grazers represent a size class of organisms where a transition in the mechanism of chlorobiphenyl (CB) introduction, from diffusion through surface membranes to ingestion of contaminated prey, could occur. This study compares the relative importance of these two processes in the overall uptake of polychlorinated biphenyls by protists. Uptake rates and steady-state concentrations were compared in laboratory cultures of grazing and nongrazing protozoa. These experiments were conducted with a 10-{micro}m marine scuticociliate (Uronema sp.), bacterial prey (Halomonas halodurans), and a suite of 21 CB congeners spanning a range of aqueous solubilities. The dominant pathway of CB uptake by both grazing and nongrazing protozoa was diffusion. Organic-carbon-normalized CB concentrations (in the protozoan cell) were equivalent in grazing and nongrazing protozoa for all congeners studied. Rate constants for uptake into and loss from the protozoan cell were independently determined by using [3,3{prime}, 4,4{prime}-{sup 14}C]tetrachlorobiphenyl (IUPAC no. 77), 0.38 {+-} 0.03 min{sup {minus}1} and (1.1 {+-} 0.1) x 10{sup {minus}5} (g of organic carbon){minus}{sup {minus}1} min{sup {minus}1}, respectively. Magnitudes of the uptake and loss processes were calculated and compared by using a numerical model. The model result was consistent with data from the bioaccumulation experiment and supported the hypothesis that diffusive uptake is faster than ingestive uptake in phagotrophic unicellular protozoa.

  15. Biofilms at work: Bio-, phyto- and rhizoremediation approaches for soils contaminated with polychlorinated biphenyls

    Directory of Open Access Journals (Sweden)

    Merily Horwat

    2015-09-01

    Full Text Available Organohalide contaminants such as polychlorinated biphenyls (PCBs have been released into the environment for decades due to anthropogenic activities, but are also naturally produced in small amounts through volcanic eruptions and geochemical processes. Although toxic to humans and other organisms, the natural production of these compounds has resulted in the evolution of naturally occurring organohalide-respiring bacteria that possess the enzymes necessary to degrade PCB compounds to non-toxic products. The efficiency of PCB degradation can be improved by facilitating the formation of organohalide-respiring biofilms. During biofilm colonization on a surface or interface, bacteria are encased in an extracellular polymeric substance (EPS or “slime,” which allows them to share nutrients and remain protected from environmental stresses. Effective bioremediation of PCBs involves facilitation of biofilm growth to promote cooperation between bacteria, which can be further enhanced by the presence of certain plant species. This review aims to give an overview of biofilm processes involved in the detoxification of PCBs including anaerobic and aerobic PCB degradation by bacteria as well as the ability of plants to stimulate microbial activity and degradation (rhizoremediation and phytoremediation.

  16. Effects of quercetin on polychlorinated biphenyls-induced liver injury in rats

    Directory of Open Access Journals (Sweden)

    Cléia Rocha de Oliveira

    2014-05-01

    Full Text Available Introduction: Polychlorinated biphenyls (PCBs, used as pesticides in agriculture, can lead to irreversible injuries in living organisms, particularly in liver. Oxidative stress has been implicated in the liver pathogenesis induced by different molecules, including PCBs. It has been demonstrated that quercetin, an antioxidant flavonoid found in the diet, exhibits a potent antioxidant effect in different liver pathologies. Objective: To evaluate oxidative stress caused by PCBs in liver and the antioxidant activity of quercetin. Methodology: We used male Wistar rats (n = 36, divided in 4 groups: control, quercetin (50 mg/kg/day, PCBs (0.4 ml/kg/day, and rats treated with both PCBs and quercetin. On day 25 blood was collected to assess liver integrity (enzymes AST, ALT and ALP, and liver samples to measure oxidative stress (TBARS, activity of antioxidant enzymes (SOD, CAT, GPx and DNA damage (micronucleus assay, and histological damage. Results: TBARS concentration and SOD activity were significantly higher in PCBs animals as compared to the PCB group receiving quercetin. CAT and GPx decreased in PCBs and increased when quercetin was added. The histological analysis showed damage to hepatocytes in PCBs, but quercetin was able to afford protection against such damage. The micronucleus test showed there was an increase in the production of microclenucleus compared to control, and quercetin was able to reduce this effect. Conclusion: Contamination with PCBs led to increased lipid peroxidation and DNA damage, and the use of antioxidant quercetin was effective in reducing PCBs-induced liver injury.

  17. Polychlorinated biphenyl contamination of the spider crab (Maja brachydactyla): influence of physiological and ecological processes.

    Science.gov (United States)

    Bodin, Nathalie; Caisey, Xavier; Abarnou, Alain; Loizeau, Véronique; Latrouite, Daniel; Le Guellec, Anne-Marie; Guillou, Monique

    2007-03-01

    Maja brachydactyla is a decapod crustacean widely distributed along the Northeast Atlantic coasts. The main objective of this work was to establish the influence of ontogenic factors, such as growth, aging, seasonal migrations, and reproduction, on the contamination of this species by polychlorinated biphenyls (PCBs). Two populations were studied: One in the Seine Bay (Eastern English Channel), which is exposed to greatly contaminated discharges from the Seine River, and one in the Iroise Sea (Western Brittany), which is little contaminated by such man-made compounds. At both sampling areas, PCB analysis revealed concentrations in hepatopancreas that were 10- and 50-fold higher than concentrations in gonads and muscle, respectively. Levels of 2,2',4,4',5,5'-hexachlorobiphenyl (CB153) increased with the age of the spider crabs, whereas their seasonal migrations had no direct effect. No significant sex effect was observed with regards to CB153 levels, but adult females exhibited PCB fingerprints different from those of males, probably because of the influence of the reproductive cycle on enzymatic system activity. Finally, spawning gave rise to a higher CB153 decontamination of female body burdens for specimens from the Iroise Sea than for those from the Seine Bay. PMID:17373508

  18. A Preliminary Link between Hydroxylated Metabolites of Polychlorinated Biphenyls and Free Thyroxin in Humans

    Directory of Open Access Journals (Sweden)

    Eveline Dirinck

    2016-04-01

    Full Text Available Background: Polychlorinated biphenyls (PCBs and their hydroxylated metabolites (HO-PCBs interfere with thyroid hormone action both in vitro and in vivo. However, epidemiologic studies on the link between PCB exposure and thyroid function have yielded discordant results, while very few data are available for HO-PCBs. Objectives: Our study aimed at investigating the relationship between clinically available markers of thyroid metabolism and serum levels of both PCBs and HO-PCBs. Subjects and Methods: In a group of 180 subjects, thyroid-stimulating hormone (TSH and free thyroxin (fT4, 29 PCBs (expressed both in lipid weight and in wet weight and 18 HO-PCBs were measured in serum. Results: In regression models, adjusted for gender, age, current smoking behavior, BMI and total lipid levels, serum levels of 3HO-PCB118 and 3HO-PCB180, and PCB95lw, PCB99lw and PCB149lw were independent, significant predictors of fT4. A stepwise, multiple regression with gender, age, current smoking behavior, BMI and total lipid levels and all five previously identified significant compounds retained age, BMI, PCB95lw, PCB99lw and 3HO-PCB180 as significant predictors of fT4. TSH levels were not predicted by serum levels of any of the PCBs or HO-PCBs. Conclusions: Our study indicates that in vivo, circulating fT4 levels can be linked to serum levels of several PCBs and hydroxylated PCB metabolites.

  19. Polychlorinated biphenyls (PCBs) in sediments from the western Adriatic Sea: Sources, historical trends and inventories.

    Science.gov (United States)

    Combi, Tatiane; Miserocchi, Stefano; Langone, Leonardo; Guerra, Roberta

    2016-08-15

    Sources, historical trends and inventories of polychlorinated biphenyls (PCBs) were investigated in sediments collected in five transects along the north-south axis of the western Adriatic Sea. The concentration of total PCBs (∑28 PCBs) ranged from sediment cores and between 0.1 and 2.2ngg(-1) in recent sediments. Chronological records of PCB concentrations displayed a common pattern with historical PCB production and use, with the maximum peak values detected between the 1960s and the 1980s. Sediments deposited within the last two decades presented a ~40% to ~80% PCB reduction in comparison to the peak levels, reflecting the ban on PCB production and use since the late 1970s. PCB levels along with the presence of high-chlorinated congeners decreased southwards, indicating the Po River as the major source of PCBs in the western Adriatic Sea. This is further corroborated by the estimated inventories of PCBs, which were ~4-7 times higher in the Po River prodelta (256ngcm(-2)) in comparison to the middle and southern Adriatic, respectively, and about 100 times higher than the in the deep Adriatic Sea. PMID:27110972

  20. Insight into the neuroproteomics effects of the food-contaminant non-dioxin like polychlorinated biphenyls.

    Science.gov (United States)

    Brunelli, Laura; Llansola, Marta; Felipo, Vicente; Campagna, Roberta; Airoldi, Luisa; De Paola, Massimiliano; Fanelli, Roberto; Mariani, Alessandro; Mazzoletti, Marco; Pastorelli, Roberta

    2012-04-18

    Recent studies showed that food-contaminant non-dioxin-like polychlorinated biphenyls (NDL-PCBs) congeners (PCB52, PCB138, PCB180) have neurotoxic potential, but the cellular and molecular mechanisms underlying neuronal damage are not entirely known. The aim of this study was to assess whether in-vitro exposure to NDL-PCBs may alter the proteome profile of primary cerebellar neurons in order to expand our knowledge on NDL-PCBs neurotoxicity. Comparison of proteome from unexposed and exposed rat cerebellar neurons was performed using state-of-the-art label-free semi-quantitative mass-spectrometry method. We observed significant changes in the abundance of several proteins, that fall into two main classes: (i) novel targets for both PCB138 and 180, mediating the dysregulation of CREB pathways and ubiquitin-proteasome system; (ii) different congeners-specific targets (alpha-actinin-1 for PCB138; microtubule-associated-protein-2 for PCB180) that might lead to similar deleterious consequences on neurons cytoskeleton organization. Interference of the PCB congeners with synaptic formation was supported by the increased expression of pre- and post-synaptic proteins quantified by western blot and immunocytochemistry. Expression alteration of synaptic markers was confirmed in the cerebellum of rats developmentally exposed to these congeners, suggesting an adaptive response to neurodevelopmental toxicity on brain structures. As such, our work is expected to lead to new insights into the mechanisms of NDL-PCBs neurotoxicity. PMID:22387315

  1. Age-related polychlorinated biphenyl dynamics in immature bull sharks (Carcharhinus leucas).

    Science.gov (United States)

    Olin, Jill A; Beaudry, Marina; Fisk, Aaron T; Paterson, Gordon

    2014-01-01

    Polychlorinated biphenyls (PCBs) were quantified in liver tissues of bull sharks (Carcharhinus leucas) ranging in age from 3 yr. Summed values of PCBs (ΣPCBs) ranged from 310 ng/g to 22 070 ng/g (lipid wt) across age classes with ΣPCB concentrations for the youngest sharks in the present study (3-yr-old sharks, highlighting the extent of exposure of this young life stage to this class of persistent organic pollutants (POPs). Age normalization of PCB congener concentrations to those measured for the youngest sharks demonstrated a significant hydrophobicity (log octanol/water partition coefficient [KOW ]) effect that was indicative of maternal offloading of highly hydrophobic (log KOW ≥6.5) congeners to the youngest individuals. A distinct shift in the PCB congener profiles was also observed as these young sharks grew in size. This shift was consistent with a transition from the maternally offloaded signal to the initiation of exogenous feeding and the contributions of mechanisms including growth dilution and whole-body elimination. These results add to the growing pool of literature documenting substantially high concentrations of POPs in juvenile sharks that are most likely attributable to maternal offloading. Collectively, such results underscore the potential vulnerability of young sharks to POP exposure and pose additional concerns for shark-conservation efforts. PMID:24357032

  2. Uptake of polychlorinated biphenyls and organochlorine pesticides from soil and air into radishes (Raphanus sativus)

    International Nuclear Information System (INIS)

    Uptake of organochlorine pesticides and polychlorinated biphenyls from soil and air into radishes was measured at a heavily contaminated field site. The highest contaminant concentrations were found for DDT and its metabolites, and for β-hexachlorocyclohexane. Bioconcentration factor (BCF, defined as a ratio between the contaminant concentration in the plant tissue and concentration in soil) was determined for roots, edible bulbs and shoots. Root BCF values were constant and not correlated to log KOW. A negative correlation between BCF and log KOW was found for edible bulbs. Shoot BCF values were rather constant and varied between 0.01 and 0.22. Resuspended soil particles may facilitate the transport of chemicals from soil to shoots. Elevated POP concentrations found in shoots of radishes grown in the control plot support the hypothesis that the uptake from air was more significant for shoots than the one from soil. The uptake of POPs from air was within the range of theoretical values predicted from log KOA. - Uptake from air represented for majority of persistent organochlorines a dominant pathway into shoots while uptake from soil was dominant for roots

  3. Preparation and characterization of thermally stable copoly(phthalazinone biphenyl ether sulfone) hollow fiber ultrafiltration membranes

    Science.gov (United States)

    Liu, Peng; Zhang, Shouhai; Wang, Yutian; Lu, Yan; Jian, Xigao

    2015-04-01

    Novel thermally stable copoly(phthalazinone biphenyl ether sulfone) (PPBES) hollow fiber ultrafiltration (UF) membranes were successfully fabricated by the dry/wet phase inversion technique. The effects of polymer dope formulation (i.e., the PPBES concentration, different types and contents of additives) and fiber spinning conditions (i.e., air gap distance, coagulation bath temperature) on the morphologies and separation performance of PPBES hollow fiber UF membranes were investigated, respectively. It was found that the water flux of hollow fiber membrane decreased with the increase of PPBES concentration or EGME content in casting solution, while the rejection of PEG increased. However, the PPBES hollow fiber UF prepared with LiCl as inorganic small molecule additive exhibited different phenomena. In addition, the decrease of air gap distance or the increase of coagulation bath temperature could improve the water flux of UF membrane while reduce the rejection of PEG. Moreover, the thermal stability of the PPBES hollow fiber UF membranes was investigated. The water flux of PPBES membrane increased dramatically from 155 to 428 L m-2 h-1 without significant decrease of rejection when the temperature of feed solution increased from 20 °C to 95 °C.

  4. Courtship behavior of captive American kestrels (Falco sparverius) exposed to polychlorinated biphenyls.

    Science.gov (United States)

    Fisher, S A; Bortolotti, G R; Fernie, K J; Smits, J E; Marchant, T A; Drouillard, K G; Bird, D M

    2001-08-01

    Polychlorinated biphenyls (PCBs) adversely affect reproduction in birds. Captive adult male and female American kestrels (Falco sparverius) were studied to investigate the potential behavioral and hormonal alterations during the courtship period resulting from clinical exposure to PCBs. American kestrels ingested 7 mg/kg/body weight/bird/day of a 1:1:1 mixture of Aroclors 1248, 1254, and 1260 through their diet of day-old cockerels. The dietary dosage of Aroclors resulted in environmentally relevant total PCB residues in the eggs, averaging 34.1 microg/g wet weight (geometric mean). There was no difference between treatment and control birds in the circulating levels of total androgens (p = 0.44) or in 17 beta-estradiol (p = 0.29), one week following pairing. Male kestrels exposed to dietary PCBs exhibited significantly more sexual behaviors (p = 0.034) and flight behaviors (p = 0.026) than the control males. Sexual behaviors of male kestrels included; nest-box inspections, solicitation of copulation, the offer of food to the female, and giving the female food. The flight behaviors of the male included; flying from one perch to another and aerial display. In addition, the frequency of male sexual behaviors were correlated (r = 0.605, p = 0.001) with total PCB residues in the eggs of their mates. A concurrent study found that these same PCB-exposed kestrels experienced a delay in clutch initiation as well as a greater number of completely infertile clutches. PMID:11462146

  5. Organochlorines and polychlorinated biphenyl environmental pollution in south coast of Rio De Janeiro state.

    Science.gov (United States)

    da Silva, Ana Maria Ferreira; Pavesi, Thelma; Rosa, Ana Cristina Simões; Santos, Tatyane Pereira Dos; de Medeiros Tabalipa, Marianne; Lemes, Vera Regina Rossi; Alves, Sergio Rabello; de Novaes Sarcinelli, Paula

    2016-07-15

    The objective of this study was to evaluate the burden of environmental pollution by Polychlorinated Biphenyls (PCBs) and Organochlorine Pesticides (OCs) in two localities of Rio de Janeiro coast, through the determination of these levels in specimens of mullets and croakers collected from May to August 2008, at Guanabara Bay (GB) and from Araújo Island (AI), at Paraty Bay. Twenty three organochlorine pollutants were detected in croakers at GB and twenty in mullets and all PCBs congeners investigated in the study were present in the two species. Ratio ∑DDT/∑PCB of 1.4 shows an important contribution of agricultural residues in GB and p,p'-DDE/∑DDT of 0.1 demonstrates a reintroduction of DDT. Consumption of mullet may represent a risk to the health of fishermen families from GB, with average and maximum estimated daily intake of ∑DDT of 9.012μg/kg p.c. and 26,174μg/kg p.c., representing 45% and 131% of ADI established by WHO. PMID:27184129

  6. Soil-Air Partitioning of Polychlorinated Biphenyls and Total Dichloro-Diphenyl-Trichloroethanes

    Institute of Scientific and Technical Information of China (English)

    Yaping Zhang; Erping Bi; Honghan Chen

    2014-01-01

    Soil-air partitioning is an important diffusive process that affects the environmental fate of organic compounds and human health. In this review, factors affecting the soil-air partitioning of polychlorinated biphenyls (PCBs) and total dichloro-diphenyl-trichloroethanes (p,p’-and o,p’-isomers of DDT, DDD, and DDE) are discussed. Hydrophobicity is an important factor that influences soil-air partition coefficients (KSA), and its effect can be explained through enthalpy of phase change for soil-air partitioning transfer (ΔHSA). For more hydrophobic compounds, a sharp increase in the KSA of PCBs and organochlorines can be seen in the early aging period. During the aging period, the temperature has a significant effect on the more hydrophobic organic compounds. The content and properties of soil or-ganic matter influence the KSA of the target compounds. Generally, KSA decreases with increasing rela-tive humidity in soils. The linear trend between KSA and temperature (T) changes at 0 °C. Freezing the air or soil in experiments would change the research results. On the basis of factors influencing soil-air partitioning, a multipleparameter (T, organic carbon fraction (fOC), and octanol-air partition coefficient (KOA)) model is put forward to predict the KSA values for PCBs and total DDTs.

  7. Gas chromatography/multiphoton ionization/time-of-flight mass spectrometry of polychlorinated biphenyls

    International Nuclear Information System (INIS)

    A sample mixture of polychlorinated biphenyls (PCBs) was measured by gas chromatography/multiphoton ionization/time-of-flight mass spectrometry (GC/MPI/TOF-MS) using four types of laser sources. When a fourth harmonic emission (266 nm) of a picosecond Nd:YAG laser (1064 nm) was utilized, highly chlorinated PCBs larger than hepta-CBs were not observed. A fifth harmonic emission (213 nm) of the picosecond Nd:YAG laser allowed the measurement of PCBs from di-CBs to octa-CBs, and the limit of detection (LOD) was several pg for each component of PCBs. The LOD for the total amount of PCBs, which was calculated using the protocol provided by the Ministry of the Environment, Japan, was 1000 pg. The signal intensity of the congeners with chlorine atoms at the ortho positions (non-coplanar PCBs) was enhanced by using the fifth harmonic emission. When the fourth harmonic emission remaining after fifth harmonic generation was simultaneously used, the LOD for total PCBs was improved to 667 pg. The PCB sample was also measured using a third harmonic emission (267 nm) of a femtosecond Ti:sapphire laser (800 nm), providing an LOD of 677 pg. Thus, the two-color beam (266/213 nm) of a picosecond Nd:YAG laser had a comparable, or even slightly superior, performance to the more expensive femtosecond Ti:sapphire laser.

  8. Oxidation of dibenzothiophene (DBT by Serratia marcescens UCP 1549 formed biphenyl as final product

    Directory of Open Access Journals (Sweden)

    de Araújo Hélvia W

    2012-05-01

    Full Text Available Abstract Background The desulphurization of dibenzothiophene (DBT, a recalcitrant thiophenic fossil fuel component by Serratia marcescens (UCP 1549 in order for reducing the Sulphur content was investigated. The Study was carried out establishing the growth profile using Luria Bertani medium to different concentrations of DBT during 120 hours at 28°C, and orbital Shaker at 150 rpm. Results The results indicated that concentrations of DBT 0.5, 1.0 and 2.0 mM do not affected the growth of the bacterium. The DBT showed similar Minimum Inhibitory Concentration (MIC and Minimum Bactericidal Concentration (MCB (3.68 mM. The desulphurization of DBT by S. marcescens was used with 96 hours of growth on 2 mM of DBT, and was determined by gas chromatography (GC and GC-mass spectrometry. In order to study the desulphurization process by S. marcescens was observed the presence of a sulfur-free product at 16 hours of cultivation. Conclusions The data suggests the use of metabolic pathway “4S” by S. marcescens (UCP 1549 and formed biphenyl. The microbial desulphurization process by Serratia can be suggest significant reducing sulphur content in DBT, and showed promising potential for reduction of the sulfur content in diesel oil.

  9. Occurrence, distribution and risk assessment of polychlorinated biphenyls and polybrominated diphenyl ethers in nine water sources.

    Science.gov (United States)

    Yang, Yuyi; Xie, Qilai; Liu, Xinyu; Wang, Jun

    2015-05-01

    Water quality of water sources is a critical issue for human health in South China, which experiences rapid economic development and is the most densely populated region in China. In this study, the pollution of organohalogen compounds in nine important water sources, South China was investigated. Twenty six organohalogen compounds including seventeen polychlorinated biphenyls (PCBs) and nine polybrominated diphenyl ethers (PBDEs) were detected using gas chromatograph analysis. The concentrations of total PCBs ranged from 0.93 to 13.07ngL(-1), with an average value of 7.06ngL(-1). The total concentrations of nine PBDE congeners were found in range not detected (nd) to 7.87ngL(-1) with an average value of 2.59ngL(-1). Compositions of PCBs and PBDEs indicated the historical use of Aroclors 1248, 1254 and 1260, and commercial PBDEs may be the main source of organohalogen compounds in water sources in South China. The nine water sources could be classified into three clusters by self-organizing map neural network. Low halogenated PCBs and PBDEs showed similar distribution in the nine water sources. Cancer risks of PCBs and PBDEs via water consumption were all below 10(-6), indicating the water quality in the nine water sources, South China was safe for human drinking. PMID:25681605

  10. Species-specific elimination of polychlorinated biphenyls in estuarine animals and its impact on residue patterns.

    Science.gov (United States)

    Goerke, H; Weber, K

    2001-03-01

    Elimination kinetics of tetra-, penta- and hexachlorobiphenyls (IUPAC Nos. 44, 52, 87, 95, 101, 153) were investigated by laboratory experiments in three species of different phyla: Nereis diversicolor (Polychaeta), Palaemon longirostris (Crustacea) and Platichthys flesus (Pisces). Half-lives were species-specific and structure-dependent. Palaemon longirostris eliminated all components fastest. N. diversicolor was faster than Platichthys flesus except for components 95 and 153. Contrary to the fish species, the two invertebrates contained significant amounts of polar transformation products of No. 52, which had been applied as 14C labelled. Therefore, the faster elimination by Palaemon longirostris and N. diversicolor was assumed to be generally due to increased biotransformation. Elimination was in accordance with polychlorinated biphenyl (PCB) residue patterns obtained from field samples of the species. Congeners with vicinal H atoms in m,p positions were under-represented in Palaemon longirostris and so were congeners with > or = 7 Cl in N. diversicolor, while the PCB residue pattern in Platichthys flesus was similar to that of Clophen A60. By comparing percentages of the experimental congeners in sigma PCB and their elimination half-lives in the three species, it was revealed that residue patterns were also influenced by species-dependent uptake, e.g. feeding habits. Extractable organic matter-based sigma PCB levels increased with trophic levels of the three species. PMID:11468813

  11. Toxicological effects of polychlorinated biphenyls (PCBs) on freshwater turtles in the United States.

    Science.gov (United States)

    Ming-Ch'eng Adams, Clare Isabel; Baker, Joel E; Kjellerup, Birthe V

    2016-07-01

    Prediction of vertebrate health effects originating from persistent organic pollutants (POPs) such as polychlorinated biphenyls (PCBs) has remained a challenge for decades thus making the identification of bioindicators difficult. POPs are predominantly present in soil and sediment, where they adhere to particles due to their hydrophobic characteristics. Animals inhabiting soil and sediment can be exposed to PCBs via dermal exposure while others may obtain PCBs through contaminated trophic interaction. Freshwater turtles can serve as bioindicators due to their strong site fidelity, longevity and varied diet. Previous research observed the health effects of PCBs on turtles such as decreased bone mass, changed sexual development and decreased immune responses through studying both contaminated sites along with laboratory experimentation. Higher deformity rates in juveniles, increased mortality and slower growth have also been observed. Toxicological effects of PCBs vary between species of freshwater turtles and depend on the concertation and configuration of PCB congeners. Evaluation of ecotoxicological effects of PCBs in non-endangered turtles could provide important knowledge about the health effects of endangered turtle species thus inform the design of remediation strategies. In this review, the PCB presence in freshwater turtle habitats and the ecotoxicological effects were investigated with the aim of utilizing the health status to identify areas of focus for freshwater turtle conservation. PMID:27043381

  12. Inhibition of LPS-induced splenocyte proliferation by ortho-substituted polychlorinated biphenyl congeners

    International Nuclear Information System (INIS)

    Polychlorinated biphenyls (PCBs) are persistent environmental contaminants, and their ubiquitous nature has prompted studies of their potential health hazards. As a result of their lipophilic nature, PCBs accumulate in breast milk and subsequently affect the health of offspring of exposed individuals. Biological effects of PCBs in animals have mostly been attributed to coplanar congeners, although effects of ortho congeners also have been demonstrated. To investigate the relationship of immunotoxicity and chlorine substitution pattern, the effects of PCB congeners and mixtures of ortho and non-ortho-substituted constituents of Aroclor 1242 on splenocytes from C57B1/6 mice were examined. The immunotoxic endpoints investigated included splenocyte viability, lipopolysaccharide (LPS)-induced splenocyte proliferation, and LPS-induced antibody secretion. Congeners with multiple ortho chlorines preferentially inhibited splenocyte proliferation as compared with non- or mono-ortho-substituted congeners. However, mixtures of non- and mono-ortho-substituted congeners and multi-ortho-substituted congeners inhibited LPS-induced splenocyte proliferation and antibody secretion at similar concentrations. Exposure of splenocytes to these mixtures did not activate the aryl hydrocarbon receptor (AhR) signal transduction pathway. These results suggest individual multi-ortho-substituted congeners preferentially inhibit LPS-induced splenocyte proliferation, while congeners not exhibiting an effect individually may have additive effects in a mixture to produce an immunotoxic response through an AhR-independent pathway

  13. Landscape of protein-small ligand binding modes.

    Science.gov (United States)

    Kasahara, Kota; Kinoshita, Kengo

    2016-09-01

    Elucidating the mechanisms of specific small-molecule (ligand) recognition by proteins is a long-standing conundrum. While the structures of these molecules, proteins and ligands, have been extensively studied, protein-ligand interactions, or binding modes, have not been comprehensively analyzed. Although methods for assessing similarities of binding site structures have been extensively developed, the methods for the computational treatment of binding modes have not been well established. Here, we developed a computational method for encoding the information about binding modes as graphs, and assessing their similarities. An all-against-all comparison of 20,040 protein-ligand complexes provided the landscape of the protein-ligand binding modes and its relationships with protein- and chemical spaces. While similar proteins in the same SCOP Family tend to bind relatively similar ligands with similar binding modes, the correlation between ligand and binding similarities was not very high (R(2)  = 0.443). We found many pairs with novel relationships, in which two evolutionally distant proteins recognize dissimilar ligands by similar binding modes (757,474 pairs out of 200,790,780 pairs were categorized into this relationship, in our dataset). In addition, there were an abundance of pairs of homologous proteins binding to similar ligands with different binding modes (68,217 pairs). Our results showed that many interesting relationships between protein-ligand complexes are still hidden in the structure database, and our new method for assessing binding mode similarities is effective to find them. PMID:27327045

  14. Non-coplanar polychlorinated biphenyls (PCBs) are direct agonists for the human pregnane-X receptor and constitutive androstane receptor, and activate target gene expression in a tissue-specific manner

    International Nuclear Information System (INIS)

    The polychlorinated biphenyl group possesses high environmental persistence, leading to bioaccumulation and a number of adverse effects in mammals. Whilst coplanar PCBs elicit their toxic effects through agonism of the aryl hydrocarbon receptor; however, non-coplanar PCBs are not ligands for AhR, but may be ligands for members of the nuclear receptor family of proteins. To better understand the biological actions of non-coplanar PCBs, we have undertaken a systematic analysis of their ability to activate PXR and CAR-mediated effects. Cells were exposed to a range of non-coplanar PCBs (99, 138, 153, 180 and 194), or the coplanar PCB77: Direct activation of PXR and CAR was measured using a mammalian receptor activation assay in human liver cells, with rifampicin and CITCO used as positive controls ligands for PXR and CAR, respectively; activation of target gene expression was examined using reporter gene plasmids for CYP3A4 and MDR1 transfected into liver, intestine and lung cell lines. Several of the non-coplanar PCBs directly activated PXR and CAR, whilst the coplanar PCB77 did not. Non-coplanar PCBs were also able to activate PXR/CAR target gene expression in a substitution- and tissue-specific manner. Non-coplanar PCBs act as direct activators for the nuclear receptors PXR and CAR, and are able to elicit transcriptional activation of target genes in a substitution- and tissue-dependent manner. Chronic activation of PXR/CAR is linked to adverse effects and must be included in any risk assessment of PCBs. -- Highlights: ► Several Non-coplanar PCBs are able to directly activate both PXR and CAR in vitro. ► PCB153 is the most potent direct activator of PXR and CAR nuclear receptors. ► Non-coplanar PCB activation of CYP3A4/MDR1 reporter genes is structure-dependent. ► Non-coplanar PCB activate CYP3A4/MDR1 reporter genes in a tissue-dependent. ► PCB153 is the most potent activator of PXR/CAR target gene in all tissues.

  15. Non-coplanar polychlorinated biphenyls (PCBs) are direct agonists for the human pregnane-X receptor and constitutive androstane receptor, and activate target gene expression in a tissue-specific manner

    Energy Technology Data Exchange (ETDEWEB)

    Al-Salman, Fadheela; Plant, Nick, E-mail: N.Plant@Surrey.ac.uk

    2012-08-15

    The polychlorinated biphenyl group possesses high environmental persistence, leading to bioaccumulation and a number of adverse effects in mammals. Whilst coplanar PCBs elicit their toxic effects through agonism of the aryl hydrocarbon receptor; however, non-coplanar PCBs are not ligands for AhR, but may be ligands for members of the nuclear receptor family of proteins. To better understand the biological actions of non-coplanar PCBs, we have undertaken a systematic analysis of their ability to activate PXR and CAR-mediated effects. Cells were exposed to a range of non-coplanar PCBs (99, 138, 153, 180 and 194), or the coplanar PCB77: Direct activation of PXR and CAR was measured using a mammalian receptor activation assay in human liver cells, with rifampicin and CITCO used as positive controls ligands for PXR and CAR, respectively; activation of target gene expression was examined using reporter gene plasmids for CYP3A4 and MDR1 transfected into liver, intestine and lung cell lines. Several of the non-coplanar PCBs directly activated PXR and CAR, whilst the coplanar PCB77 did not. Non-coplanar PCBs were also able to activate PXR/CAR target gene expression in a substitution- and tissue-specific manner. Non-coplanar PCBs act as direct activators for the nuclear receptors PXR and CAR, and are able to elicit transcriptional activation of target genes in a substitution- and tissue-dependent manner. Chronic activation of PXR/CAR is linked to adverse effects and must be included in any risk assessment of PCBs. -- Highlights: ► Several Non-coplanar PCBs are able to directly activate both PXR and CAR in vitro. ► PCB153 is the most potent direct activator of PXR and CAR nuclear receptors. ► Non-coplanar PCB activation of CYP3A4/MDR1 reporter genes is structure-dependent. ► Non-coplanar PCB activate CYP3A4/MDR1 reporter genes in a tissue-dependent. ► PCB153 is the most potent activator of PXR/CAR target gene in all tissues.

  16. Tungsten acetonitrile complexes, containing nitrosyl ligand

    International Nuclear Information System (INIS)

    Synthesized are tungsten acetonitrile derivatives, containing nitrosyl ligand. In a course of boiling W(CO)4(NO)I-(1) at the excess of acetonitrile there is formed bis-(acetonitrile)-dicarbonilenitrosyltungsteniod-(2): W(CO)4(NO)I+2CH3CN → 2CO+(CH3CN)2W(CO)2(NO)I-(2). Investigation in reactionary ability of compound (2) is carried out. It is shown that at the reaction of acetonitrile complex (2) with two equivalents of triphenylphosphine depending on reaction conditions formed is a number of products

  17. Transmutable nanoparticles with reconfigurable surface ligands

    Science.gov (United States)

    Kim, Youngeun; Macfarlane, Robert J.; Jones, Matthew R.; Mirkin, Chad A.

    2016-02-01

    Unlike conventional inorganic materials, biological systems are exquisitely adapted to respond to their surroundings. Proteins and other biological molecules can process a complex set of chemical binding events as informational inputs and respond accordingly via a change in structure and function. We applied this principle to the design and synthesis of inorganic materials by preparing nanoparticles with reconfigurable surface ligands, where interparticle bonding can be programmed in response to specific chemical cues in a dynamic manner. As a result, a nascent set of “transmutable nanoparticles” can be driven to crystallize along multiple thermodynamic trajectories, resulting in rational control over the phase and time evolution of nanoparticle-based matter.

  18. Scorpionates the coordination chemistry of polypyrazolylborate ligands

    CERN Document Server

    Trofimenko, Swiatoslaw

    1999-01-01

    This book deals with polypyrazolylborates (scorpionates), a class of ligands known since 1966, but becoming rapidly popular with inorganic, organometallic and coordination chemists since 1986, because of their versatility and user-friendliness. They can be readily modified sterically and electronically through appropriate substitution on the pyrazole ring and on boron, and have led to a number of firsts in coordination chemistry (first stable CuCO complex, first monomeric MgR complex, and many other such firsts). Their denticity can range from two to four, their "Bite" can be adjusted, and add

  19. Metal mediated template synthesis of ligands

    CERN Document Server

    Costisor, Otilia

    2004-01-01

    This book surveys the relatively new area of the synthesis of organic ligands when metal ions act as a template. In the last fifty years this field has undergone an explosive development, marked by a great amount of literature. The material in the book has been arranged according to the type of chemical reaction involved. In this frame, the basic principles of metal template reactions and the shape of the molecules are considered. Designed to satisfy the demands of students, young researchers doing their PhDs, and those working in the field of coordination chemistry, the book details the role

  20. Adaptation mechanisms of bacteria during the degradation of polychlorinated biphenyls in the presence of natural and synthetic terpenes as potential degradation inducers

    Energy Technology Data Exchange (ETDEWEB)

    Zoradova-Murinova, Slavomira; Dudasova, Hana; Lukacova, Lucia; Certik, Milan; Dercova, Katarina [Slovak Univ. of Technology, Bratislava (Slovakia). Inst. of Biotechnology and Food Science; Silharova, Katarina; Vrana, Branislav [Water Research Institute, Bratislava (Slovakia)

    2012-06-15

    In this study, we examined the effect of polychlorinated biphenyls (PCBs) in the presence of natural and synthetic terpenes and biphenyl on biomass production, lipid accumulation, and membrane adaptation mechanisms of two PCB-degrading bacterial strains Pseudomonas stutzeri and Burkholderia xenovorans LB400. According to the results obtained, it could be concluded that natural terpenes, mainly those contained in ivy leaves and pine needles, decreased adaptation responses induced by PCBs in these strains. The adaptation processes under investigation included growth inhibition, lipid accumulation, composition of fatty acids, cis/trans isomerization, and membrane saturation. Growth inhibition effect decreased upon addition of these natural compounds to the medium. The amount of unsaturated fatty acids that can lead to elevated membrane fluidity increased in both strains after the addition of the two natural terpene sources. The cells adaptation changes were more prominent in the presence of carvone, limonene, and biphenyl than in the presence of natural terpenes, as indicated by growth inhibition, lipid accumulation, and cis/trans isomerization. Addition of biphenyl and carvone simultaneously with PCBs increased the trans/cis ratio of fatty acids in membrane fractions probably as a result of fluidizing effects of PCBs. This stimulation is more pronounced in the presence of PCBs as a sole carbon source. This suggests that PCBs alone have a stronger effect on bacterial membrane adaptation mechanisms than when added together with biphenyl or natural or synthetic terpenes. (orig.)