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  • 1
    ISSN: 1572-8854
    Keywords: aminopyrimidine ; copper ; stacking ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reaction of Cu(II) triflate with an excess of 2-aminopyrimidine (ampym) in ethanol followed by slow crystallization results in a most unusual crystal lattice, which can be considered as consisting of two interpenetrating sublattices. The compound analyzes as [Cu(ampym)2(H2O)2(CF3SO3)2(ampym)4]. Crystal data: Triclinic, P $$\overline 1$$ , a = 7.6179(5), b = 11.4311(14), c = 11.8373(13) Å, α = 84.098(9), β = 79.998(7), γ = 84.253(8)°, Vol = 1010.151(8) Å, Z = 1, Dcalc = 1.592 g/cm3. One part of the lattice consists of the unprecendented linear chain of neutral ampym molecules; the chain is built up by Watson–Crick type bis-hydrogen bonds between imine N atoms and N-H groups of the NH2. This ampym chain is apparently stabilized by the other part in the crystal lattice, which can best be described by starting from the centrosymmetric trans-CuII(ampym)2(H2O)2 ion (Cu-N = 2.01 Å; Cu-O = 1.94 Å). This Cu ion is coordinated by two monodentate ampym ligands, two water molecules and two semi-coordinating triflate oxygen atoms. The Cu chromophore is held in position by hydrogen bonding towards a triflate ion (two times for symmetry reasons), and (again two times) a free ampym ligand. The triflate ion bridges a water hydrogen to a next-neighboring free ampym ligand. The noncoordinating ampym molecule has four bonding sites, of which two are used in H-bonding with the coordinated ligand, one with the triflate and the last one with the water hydrogen atom. The noncoordination ampym molecules in this sublattice finally form aromatic stacks with coordinated ampym and with itself in pairs (ring-ring distance 3.77-3.80 Å).
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  • 2
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    Springer
    Journal of chemical crystallography 30 (2000), S. 35-38 
    ISSN: 1572-8854
    Keywords: copper(II) ; aminoalcoholato ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The copper complex, [Cu2(II)(dmpa)2(p-Cl-C6H5COO)2], has been prepared and its structure determined using X-ray crystallography. The dimer is a di-μ2-alkoxo complex which is a five-coordinate copper dimer with unsupported alkoxo bridges. The complex crystallizes in the triclinic space group P-1 with a = 11.384(2), b = 14.636(5), c = 9.609(2) Å, α = 100.07(2), β = 104.33(3), γ = 72.79(2)°, V = 1471.8(7) Å3, and Z = 2. The structure is comprised of discrete binuclear clusters in which the metal atoms are bridged by two alkoxo oxygens of the dmpa− ligands. The Cu-O and Cu-N distances are in good agreement with those found for other copper(II) aminoalcoholato complexes. The Cu···Cu distance is 2.9765(6) Å. In the crystal, every two dimeric coordination molecules are combined together by the recognition through intermolecular hydrogen-bonding interactions between the apical water molecule and the non-coordinated O atom from the p-chlorobenzoato ligand, forminga tetramer.
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  • 3
    ISSN: 1572-8854
    Keywords: manganese(III) ; Schiff base ; hydrogen bonding ; crystal structure ; Jahn-Teller distortion
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The manganese complex, [Mn(III)(Hvanpa)2]N3 has been prepared and the crystal structure determined using x-ray crystallography. The mononuclear complex has a six-coordinate octahedral geometry. The complex crystallizes in the monoclinic space group P21/c with a = 9.867(1), b = 13.316(2), c = 9.0110(1) Å, β = 107.870(1)°, V = 1126.8(2) Å3, and Z = 2. The Mn-O and Mn-N distances in the equatorial plane are in good agreement with those found for other manganese(III) Schiff base complexes. In the axial direction, the Mn-O distances of 2.274(2) Å is about 0.3 Å longer than those in the equatorial plane due to a Jahn-Teller distortion at the d4 manganese(III) center. In the crystal, each azido ion is linked through hydrogen bonding with two hydrogen atoms from the coordinate hydroxyl groups at the apical site.
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  • 4
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    Journal of chemical crystallography 30 (2000), S. 767-771 
    ISSN: 1572-8854
    Keywords: saccharin ; monoethanolamine ; nickel(II) complex ; hydrogen bonding ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of trans-bis(monoethanolamine)bis(saccharinato)nickel(II), [Ni(C7H4NO3S)2(C2H7NO)2], has been determined from X-ray diffraction data. The metal complex is monoclinic, with a = 11.0555(5), b = 8.9103(4), c = 11.3890(5) Å, β = 105.0230(10)°, Z = 2, and space group P21/c . The structure consists of individual molecules. Two monoethanolamine molecules and two saccharinate anions coordinate the nickel atom forming a distorted octahedron. The monoethanolamine molecules act as a bidentate ligand and form five-membered trans chelate rings, which constitute the plane of the coordination octahedron, while two saccharinate ions behave as a monodentate ligand occupying the axial positions. Intermolecular hydrogen bonds link the molecules to form a three-dimensional infinite structure.
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  • 5
    ISSN: 1572-8854
    Keywords: 5,7-Dioxo-1,4,8,11-tetraazacyclotetradecane ; 2,6-dihydoxyanthraquinone ; hydrogen bonding ; supramolecular network
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A complex of 5,7-dioxo-1,4,8,11-tetraazacyclotetradecane (dioxocyclam) and 2,6-dihydoxyanthraquinone (anthraflavic acid) has been obtained. The complex (crystals grown from water-ethanol solution) has a stoichiometry dioxocyclam-anthraflavic acid 1:1:5. C31H32N4O8, chemical formula weight 588.61, triclinic, P − 1, a = 10.542(3) Å, b = 11.936(2) Å, c = 12.206(2) Å, α = 104.00(1)°, β = 92.68(2)°, γ = 103.64(2)°, V = 1439.4 (5) Å3, Z = 2, Dx = 1.358 g cm−3. Only one of the two amine N-atoms of the macrocycle is protonated due to very weak acidic properties of 2,6-dihydoxyanthraquinone. Due to the rather poor quality of the crystals and structure refinement, reliable determination of H-bonds is complicated. Nevertheless, several types of H-bonding responsible for the formation of a developed supramolecular network can be suggested: between the protonated amino groups and macrocycle's C=O moieties; between non-protonated amino groups and macrocycle's C=O moieties; between protonated and non-protonated amino groups; between the amide NH and C=O groups of anthraflavic acid; and between protonated and deprotonated hydroxy groups of the acid. Two types of anthraflavic components can be distinguished in the lattice: those having a parallel orientation with respect to the macrocyclic fragments and forming hydrogen bonds with the latter, and those lying in an approximately perpendicular plane and not involved in H-bonding with the macrocycles.
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  • 6
    ISSN: 1572-8854
    Keywords: Carboxylic acids ; cyclooctatetraene ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract 2,6-Dimethyl-1,3,5,7-cyclooctatetraene-1,3,5,7-tetracarboxylic acid 3, C14H14O9, was prepared by thermolysis of the corresponding semibullvalene and characterized by spectroscopic and single-crystal X-ray diffraction studies. The monohydrate of 3 crystallizes in the tetrahedral space group P-4n2, a = 11.0924(3) Å, c = 12.6799(5) Å, V = 1560.15(9) Å3, Z = 4. The cyclooctatetraene ring adopts a tub-shaped conformation with a crystallograpically imposed twofold rotational symmetry, and is composed of localized C=C double bonds in the 1,3,5, and 7 positions with an average interatomic distance of 1.327 (5) Å and C–C single bonds with an average interatomic distance of 1.489(5) Å. The average C=C–C angle in the ring is 122.6(3)°. Each symmetry generated eight-membered ring contains four carboxyl groups, two of which are coplanar with the methyl groups across the C=C ring atoms. However, across the C–C bonds the carboxyl groups and the methyl groups show a torsion angle of 64.3(4)°. The presence of a water molecule in the crystal lattice generates a three-dimensional network of close hydrogen bondings between water and the carboxyl groups of multiple rings. This creates a network of orthogonal 10-membered rings between the 8-membered rings. Two given cyclooctatetraene rings are intermolecularly hydrogen bonded not only directly through their carboxyl groups but also via a bridging water molecule. This effect is rare in polycarboxylic acids and their monohydrates which bond only with water or among themselves.
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  • 7
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    Journal of chemical crystallography 30 (2000), S. 783-788 
    ISSN: 1572-8854
    Keywords: molecular complex ; 4-nitrobenzoic acid ; tris(2-benzimidazylmethyl) amine ; hydrogen bonding ; molecular assembly
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A 1:2 inclusion compound of tris(2-benzimidazylmethyl)amine with 4-nitrobenzoic acid [(C24H21N7) · (C7H5NO2)2] has been prepared and the molecular assembly in solid state has been determined by X-ray crystal structural analysis. The crystal structure (C 2/c, a = 25.488(5), b = 13.304(3), c = 21.479(4) Å, β = 93.35 (3)°, Z = 8, R = 0.065) consists of discrete dimeric inclusion compounds joined together by N(5)...N(6) intermolecular hydrogen bonds between pairs of centrosymmetrically related benzimidazole rings of the hosts. There are two types of guest molecules in the crystal, one is incorporated within the cavity of the host via three intramolecular N—H···O hydrogen bonds while the other is situated outside the cavity and connected with the host through one O—H···N hydrogen bond. The π–π stacking interactions between guests and benzimidazole rings result in one-dimensional columns. The aromatic face–face interactions between neighbouring columns facilitate the assembly of those columns into two-dimensional layers.
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  • 8
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    Journal of chemical crystallography 30 (2000), S. 115-118 
    ISSN: 1572-8854
    Keywords: 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb); crystal structure; hydrogen bonding; 2D NMR ; crystal structure ; hydrogen bonding ; 2D NMR
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The molecule 1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene (titmb) crystallizes as a monohydrate in the monoclinic space group C2/c with a = 20.888(4), b = 13.220(2), c = 14.385(2) Å, β = 90.36(1)°. Two of three imidazole groups are on one side of the central benzene ring, and the other one is on the opposite side. The crystal packing of titmb is stabilized by O-H--N hydrogen bonding between the water molecule and nitrogen atoms of the imidazole group. The complete 1H and 13C NMR assignments for titmb were carried out by 2D NMR spectral measurements.
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  • 9
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    Journal of chemical crystallography 30 (2000), S. 143-145 
    ISSN: 1572-8854
    Keywords: thian ; oxime ; hydrogen bonding ; x-ray crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The X-ray crystal structure of γ-2-trans-2,6-diphenylthian-1,1-dioxide-4-one oxime is determined [C17H17NO3S, space group P21 n, a = 8.177(1) b = 9.574(1)c = 19.730(5) Å, β = 97.35(5)°]. The oxime group does not form an oxime dimer, but is involved in an O-H···O=S hydrogen bond.
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  • 10
    ISSN: 1572-8854
    Keywords: Amino steroids ; X-ray analysis ; absolute configuration ; epimers ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Two epimers of 20-aminopregn-5-en-3β-ol differing in configuration at C(20) have been synthesized and their structures have been determined by single crystal X-ray diffraction methods. The (20R)-epimer (1) crystallized in the orthorhombic system, space group P212121, with a = 9.0432(5) Å, b = 13.3446(7) Å, c = 15.1086(8) Å, and Z = 4. The (20S)-epimer hydrochloride hydrate (2 hydrate) crystallized in the monoclinic system, space group C2, with a = 31.0501(3) Å, b = 11.8221(1) Å, c = 11.9703(2) Å, β = 98.5140(10)°, and Z = 8. The absolute configurations at the C(20) chiral centers for the title compounds were unequivocally established for the first time. The asymmetric unit cell of 2 hydrate contained two steroid molecules, A and B, two hydrochloride molecules, and two molecules of water. The crystal packing for both diastereomers was strongly influenced by the presence of intermolecular hydrogen bonding. The molecules of 1 were linked in a head-to-tail fashion via hydrogen bonds between the hydroxyl group of the ring A and the amino group of the side chain of the ring D. The two molecules A and B of 2 hydrate were held together in head-to-head and head-to-tail fashions by a three-dimensional network of hydrogen bonds involving chlorine ions, disordered water molecules, and hydroxyl–amino groups interactions.
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  • 11
    ISSN: 1572-8854
    Keywords: Coordination polymer ; manganese ; hydrogen bonding ; hydrothermal synthesis
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The hydrothermal synthesis and crystal structure of the title compound is reported. The structure consists of 1-D looped chains with the HTPO ligand binding through the phosphoryl and two carboxylate oxygens to manganese atoms. The carboxylic acid group is hydrogen bonded to adjacent chains forming a 2-D hydrogen bonded network. The crystals are triclinic and the space group isP-1 with a = 11.6767(8) Å, b = 10.8680(8) Å and c = 11.4232(87rpar; Å α = 92.301(2)°, β = 106.932(2)° and γ = 103.2390(10)° V = 1341.02(16) Å3; Z = 2.
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  • 12
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    Journal of chemical crystallography 30 (2000), S. 605-609 
    ISSN: 1572-8854
    Keywords: Inositol ; cyclitol ; C8H12O8S ; signal transduction ; hydrogen bonding
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Racemic 4-O-methanesulfonyl-myo-inositol 1,3,5-orthoformate was prepared by methanolysis of racemic 2,4-di-O-benzoyl-4-O-methanesulfonyl-myo-inositol 1,3,5-orthoformate, in the presence of triethylamine. The diol crystallizes in space group P212121 with cell dimensions a = 6.094(1), b = 6.502(2), c = 25.947(3) Å, V = 1028.1(4) Å, Z = 4. The molecular crystals show both intra- and intermolecular O—H···O short contacts. The methine and the methyl hydrogens are involved in several C—H···O interactions.
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  • 13
    ISSN: 1435-0157
    Keywords: Key words geophysical methods ; contamination ; coastal aquifers ; landfills ; New Zealand
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: Résumé La décharge de Burwood, qui est utilisée par la ville de Christchurch (Nouvelle Zélande), est située sur des sables littoraux recouvrant une séquence d'aquifères et d'imperméables. Les eaux souterraines s'écoulent vers la côte, à environ 700 m de la limite de la décharge. Peu après la fin de la première phase de développement de la décharge, un dispositif a été mis en place sur les puits afin de détecter la présence de contaminants provenant de la décharge. Des fuites ont été détectées dans les puits les plus proches de la décharge. Une reconnaissance électromagnétique de surface au moyen d'un EM31 a été réalisée entre la décharge et la côte pour délimiter l'éventuel panache de pollution. Les résultats de la prospection géophysique ont permis d'identifier ce panache ainsi que d'anciens chenaux alluviaux aboutissant à la côte. En aval-gradient, le panache s'étale vers le nord et vers le sud tout en se déplaçant vers l'est en direction de la côte. A partir des résultats de la géophysique, une nouvelle série de puits a été mise en place pour confirmer la présence de concentrations élevées en lessivat. Le prélèvement d'eau porale a confirmé la présence d'un panache de lessivat.
    Abstract: Resumen El vertedero de Burwood, que presta servicio a la ciudad de Christchurch (Nueva Zelanda), está ubicado sobre arenas litorales que coronan una secuencia de acuíferos y acuitardos. El flujo subterráneo se dirige hacia la costa, situada a unos 700 m al Este del perímetro del vertedero. Tras ultimar la primera fase de construcción, se procedió a la instalación de una batería de pozos para detectar cualquier contaminante procedente del vertedero, descubriéndose lixiviados en los pozos más cercanos. También se llevó a cabo una campaña electromagnética somera (EM31) entre el vertedero y la costa con el fin de delimitar los penachos de contaminación que pudieran formarse. A partir de los datos geofísicos se logró identificar un penacho y varios paleocanales conectados a la costa. El fujo de lixiviados se inicia probablemente a través de uno o dos de dichos canales. Aguas abajo, la pluma sufre una dispersión según la dirección Norte-Sur a lo largo de su desplazamiento hacia la costa. Utilizando como guía los resultados geofísicos, se instaló una segunda batería de pozos para confirmar la presencia de concentraciones elevadas de lixiviados. El análisis del agua intersticial corrobora la presencia de una pluma de contaminación.
    Notes: Abstract The Burwood landfill, which serves the city of Christchurch, New Zealand, is situated on coastal sands underlain by a sequence of aquifers and aquitards. Groundwater flow is toward the coast, located approximately 700 m from the landfill boundary. Shortly after completion of the first phase of the landfill, an array of wells was installed to detect any contaminant from the landfill. Leachate was detected in the wells closest to the landfill. A shallow electromagnetic (EM31) survey was carried out between the landfill and the coast, in order to delineate any leachate plume that may be present. On the basis of the geophysical results, a contaminant plume and buried channels connected to the coast were identified. Leachate flow initially occurs in what is probably a channel or pair of channels. Downgradient, the plume spreads out to the north and south as it moves eastward toward the coast. Using the geophysical results as a guide, a new set of wells was installed to confirm the presence of high leachate concentrations. Pore-water sampling confirms the presence of a leachate plume.
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  • 14
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    Hydrogeology journal 8 (2000), S. 126-141 
    ISSN: 1435-0157
    Keywords: Key words microbial processes ; contamination ; bioremediation ; lipid analysis ; phospholipid fatty acids (PLFA)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: Résumé Ce papier passe en revue les applications des techniques biochimiques basées sur les lipides pour caractériser les communautés microbiennes présentes dans les aquifères et dans les autres habitats souterrains profonds. Ces techniques, telles que l'analyse des acides gras phospholipidiques (PLFA), peuvent fournir des informations sur un ensemble de caractères microbiens, tels que la biomasse, la physiologie, l'identité taxonomique et fonctionnelle, et surtout la composition de la communauté. En outre, l'analyse statistique multivariée des données sur les lipides peut établir les liens entre des changements spatiaux ou temporels dans la communauté microbienne et des facteurs environnementaux. L'utilisation des techniques basées sur les lipides dans l'étude de la microbiologie des eaux souterraines est intéressante parce qu'elle ne nécessite pas de mise en culture et qu'elle peut fournir des données quantitatives sur les communautés dans leur ensemble. Toutefois, les effets combinés de changements physiologiques et phylogénétiques sur la composition d'une communauté peuvent brouiller l'interprétation des données; de nombreuses questions se posent sur la validité des différentes techniques lipidiques. Malgré ces oppositions, la recherche basée sur les lipides a commencéà montrer des tendances dans la composition des communautés dans les aquifères pollués et dans ceux non perturbés; ces résultats contribuent ainsi à notre compréhension de l'écologie microbienne des eaux souterraines et montrent qu'il existe un potentiel pour leur utilisation en vue d'une optimisation de la dépollution biologique des eaux souterraines.
    Abstract: Resumen Se revisan distintas técnicas bioquímicas que se basan en el análisis de lípidos para caracterizar las comunidades microbianas en hábitats subsuperficiales, incluyendo acuíferos. Estas técnicas, entre las que se incluye el análisis de ácidos grasos fosfolípidos (PLFA), pueden proporcionar información sobre toda una serie de características de las comunidades microbianas, como su biomasa, fisiología, identidad taxonómica y funcional y composición. Además, el análisis estadístico multivariado de los datos de lípidos permite relacionar los cambios espaciales o temporales en las comunidades microbianas con factores ambientales. Las técnicas basadas en lípidos son muy útiles para el estudio microbiológico de las aguas subterráneas, puesto que no requieren cultivos y además proporcionan datos cuantitativos de comunidades completas. Sin embargo, la acción combinada de los cambios fisiológicos y filogenéticos en la composición de lípidos en una comunidad pueden confundir la interpretación de los datos, por lo existen muchas cuestiones abiertas respecto a la validez de algunas de estas técnicas. A pesar de estas dificultades, estas técnicas han permitido detectar diferentes tendencias en la composición de las comunidades en acuíferos con y sin contaminación, lo que contribuye a nuestro entendimiento de la ecología microbiana de los acuíferos. Este último aspecto tiene un uso potencial en la optimización de los métodos de biorremediación de acuíferos.
    Notes: Abstract  This paper reviews published applications of lipid-based biochemical techniques for characterizing microbial communities in aquifers and other deep subsurface habitats. These techniques, such as phospholipid fatty acid (PLFA) analysis, can provide information on a variety of microbial characteristics, such as biomass, physiology, taxonomic and functional identity, and overall community composition. In addition, multivariate statistical analysis of lipid data can relate spatial or temporal changes in microbial communities to environmental factors. The use of lipid-based techniques in the study of groundwater microbiology is advantageous because they do not require culturing and can provide quantitative data on entire communities. However, combined effects of physiological and phylogenetic changes on the lipid composition of a community can confound interpretation of the data, and many questions remain about the validity of various lipid techniques. Despite these caveats, lipid-based research has begun to show trends in community composition in contaminated and pristine aquifers that contribute to our understanding of groundwater microbial ecology and have potential for use in optimization of bioremediation of groundwater pollutants.
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  • 15
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    Hydrogeology journal 8 (2000), S. 77-88 
    ISSN: 1435-0157
    Keywords: microbial processes ; contamination ; metals ; hydrocarbons ; bioremediation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: Geobacter se convierten en los miembros dominantes de la comunidad microbiana cuando se desarrollan condiciones Fe(III)-reductoras, bien como resultado de la contaminación orgánica, bien por estimulación artificial. En consecuencia, se hace necesario un mayor entendimiento de la ecofisiologéa de los microorganismos del género Geobacter para mejorar las predicciones sobre atenuación natural de los contaminantes orgánicos bajo condiciones anaerobias y para el diseño de estrategias de biorremediación del subsuelo en los casos de contaminación por metales.
    Notes: Geobacter become dominant members of the microbial community when Fe(III)-reducing conditions develop as the result of organic contamination, or when Fe(III) reduction is artificially stimulated. These results suggest that further understanding of the ecophysiology of Geobacter species would aid in better prediction of the natural attenuation of organic contaminants under anaerobic conditions and in the design of strategies for the bioremediation of subsurface metal contamination.
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  • 16
    ISSN: 1435-0157
    Keywords: Key words editorial ; Taiwan ; biomedical hydrogeology ; contamination ; health
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
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  • 17
    ISSN: 1435-0157
    Keywords: Key words Editorial ; Taiwan ; biomedical hydrogeology ; contamination ; health
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
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  • 18
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    Hydrogeology journal 8 (2000), S. 41-46 
    ISSN: 1435-0157
    Keywords: microbes ; microbial processes ; contamination ; hydraulic properties
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: 2 (méthanogenèse). Dans les aquifères pollués par des contaminants d'origine humaine, il existe un excès de carbone organique disponible et le métabolisme microbien est limité par la disponibilité des accepteurs d'électrons. En plus des modifications du chimisme des eaux souterraines, la matrice encaissante de l'aquifère est affectée par des processus microbiens. La production de dioxyde de carbone et d'acides organiques peut conduire à accroître la solubilité de minéraux, ce qui peut produire un développement de la porosité secondaire et de la perméabilité. Inversement, la production microbienne de carbonate, de fer ferreux et de sulfure peut provoquer la précipitation de ciments de calcite secondaire ou de pyrite qui réduisent la porosité primaire et la perméabilité dans les nappes.
    Abstract: 2 (metanogénesis). En los acuíferos que presentan contaminación antrópica, existe un exceso de carbono orgánico disponible y entonces el metabolismo de los microbios se encuentra limitado por la disponibilidad de receptores de electrones. Además de los cambios en la química de las aguas, los procesos microbianos afectan también a la matriz sólida del acuífero; la producción de CO2 y de ácidos orgánicos puede dar lugar a una mayor solubilidad del mineral, lo que supone un aumento en porosidad secundaria y permeabilidad. Por el contrario, los procesos microbianos pueden dar lugar a la producción de carbonato, ión ferroso y sulfuro, precipitando calcita o pirita y reduciendo la porosidad primaria y la permeabilidad.
    Notes: 2 (methanogenesis). In aquifers contaminated by anthropogenic contaminants, an excess of available organic carbon often exists, and microbial metabolism is limited by the availability of electron acceptors. In addition to changes in groundwater chemistry, the solid matrix of the aquifer is affected by microbial processes. The production of carbon dioxide and organic acids can lead to increased mineral solubility, which can lead to the development of secondary porosity and permeability. Conversely, microbial production of carbonate, ferrous iron, and sulfide can result in the precipitation of secondary calcite or pyrite cements that reduce primary porosity and permeability in groundwater systems.
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  • 19
    ISSN: 1435-0157
    Keywords: Key words agriculture ; capillary barrier ; USA ; contamination ; unsaturated zoneRID=""ID=""This project was supported by a summer fellowship from the University of Northern Iowa. The author also acknowledges the cooperation of the Geological Survey Bureau of the Iowa Department of Natural Resources in this project by providing geological information on existing wells.
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: Résumé Dans le bassin de la rivière du Cèdre, au nord-est de l'Iowa (États-Unis), la qualité de l'eau de 17 puits particuliers sur 20 montre que l'eau souterraine est contaminée par des nitrates provenant de lessivages agricoles. Dans 9 de ces puits, la concentration en nitrates dépasse la concentration maximale recommandée par l'Agence américaine de protection de l'environnement (EPA), fixée à 45 mg NO3/L pour l'eau potable. Des études sur le transport de solutés ont montré que les sédiments détritiques (loamy) superficiels, les dépôts quaternaires de sables et de graviers et les dépôts morainiques constituent une formation hétérogène litée sous la surface. Le contraste de conductivité résultant constitue une barrière capillaire qui modifie les mécanismes réglant le mouvement vertical du traceur. Le traçage de l'eau d'une averse par du bromure de potassium, un engrais du maïs et de la fluorescéine indique que l'écoulement dans les macropores se produit uniquement dans les premiers 90 cm des sédiments détritiques (loamy). Une concentration moyenne de la restitution de 204 mg/L de bromure à 30 cm de profondeur le troisième jour après l'averse va dans le sens de l'hypothèse d'un écoulement dans les macropores des sols superficiels. La restitution de la fluorescéine s'est produite à 30 cm de profondeur par un pic à une concentration de 650 μg/L environ 5 jours après l'averse. La couche de sédiments détritiques est recouverte par la couche de galets de l'Iowa, un niveau postglaciaire de galets mêlés à du sable. Au cours des expériences de terrain, un écoulement préférentiel des traceurs a été verticalement prédominant dans les sédiments détritiques (loamy), mais s'est rapidement changé en un écoulement matriciel horizontal en entrant dans les matériaux à plus forte conductivité hydraulique saturée dans la couche de galets de l'Iowa. Cette couche de galets est recouverte (underlain) par des dépôts à faible conductivité de la moraine pré-illinoyenne. Même si la partie supérieure oxydée de la moraine paraît posséder des macropores, la couche à galets empêche l'infiltration de l'eau de l'averse en introduisant une forte composante dans le gradient hydraulique horizontal. Les données chimiques montrent que la couche à galets se présente comme une limite de conductivité hydraulique qui change brutalement le mécanisme d'écoulement non saturé d'un écoulement en macropore en un écoulement matriciel.
    Abstract: Resumen Se ha detectado una contaminación por lixiviados de nitrato de origen agrícola en 17 de los 20 pozos particulares muestreados en la cuenca del río Cedar, al Nordeste de Iowa (EEUU). En nueve de los pozos, el contenido en nitrato es superior a la concentración máxima admitida para agua potable (45 mg/L), de acuerdo con los criterios de la Agencia Medioambiental de los Estados Unidos (USEPA). Mediante investigaciones de transporte de solutos, se ha podido caracterizar la heterogeneidad del subsuelo debido al contraste de conductividad hidráulica entre las tres capas identificadas: sedimentos margosos superficiales, depósitos Cuaternarios de arena y grava, y depósitos de till glacial. El contraste de materiales origina una barrera capilar que altera los mecanismos del desplazamiento vertical de trazador. Se ha utilizado bromuro de potasio, fertilizante de maíz y fluoresceína como trazadores del agua de tormenta. De esta forma se ha observado que el flujo a través de macroporos es significativo únicamente en la capa superior margosa de 0.9 m. Prueba de ello es que se registró una concentración promedio de 204 mg/L de bromuro, a una profundidad de 0.3 m, tres días después del episodio de lluvia. Se midió asimismo un pico de fluoresceína de 650 μg/L, también a 0.3 m, al cabo de cinco días. Bajo las margas se encuentra el nivel de cantos rodados de Iowa (Iowan Pebble Band), desarrollado en un período post-glacial, que consiste en cantos rodados mezclados con arena. Gracias a los experimentos de campo se pudo comprobar que hay un flujo vertical preferente de trazador en el estrato superior margoso, el cual se convierte de inmediato en horizontal (en la matriz) al encontrar el nivel de cantos rodados, cuya conductividad hidráulica saturada es mayor. Por debajo de los cantos hay depósitos de tillita pre-Illinoiense de baja conductividad. Aunque se han identificado macroporos en la parte superior oxidada de los depósitos glaciales, la existencia de un marcado gradiente horizontal en el nivel de cantos rodados actúa impidiendo la infiltración del agua de tormenta. Los datos químicos indican que el nivel de cantos rodados se comporta como un contorno de conductividad hidráulica que altera abruptamente el mecanismo de flujo no saturado, inicialmente a través de los macroporos del suelo, para convertirlo en flujo en medio poroso.
    Notes: Abstract In the Cedar River watershed of northeastern Iowa, USA, water quality in 17 out of 20 private wells indicates that groundwater is contaminated with nitrate from agricultural leachates. In nine of the wells, nitrate concentration exceeds the US Environmental Protection Agency recommended maximum contaminant level (MCL) of 45 mg/L (as NO3 −) for drinking purposes. Solute-transport investigations determined that the surficial loam sediments, the Quaternary sand and gravel deposits, and the glacial till deposits form layered heterogeneity in the subsurface. The resulting conductivity contrast causes a capillary barrier, thereby altering the mechanisms of vertical tracer movement. Storm-water tracing with potassium bromide, corn fertilizer, and fluorescein dye indicates that macropore flow occurs only within the upper 0.9 m of loamy sediments. An average breakthrough concentration of 204 mg/L bromide at 0.3 m depth on day 3 after the storm event supports the hypothesis of macropore flow in the surficial soils. Fluorescein dye was recovered at a depth of 0.3 m with a peak concentration of 650 μg/L at approximately 5 days after the storm event. The loamy sediment layer is underlain by the Iowan Pebble Band, a pebbly layer admixed with sand, developed in post-glacial time. In the field experiments, preferential flow of the tracers was predominantly vertical within the loamy sediments but rapidly changed to a horizontal matrix flow upon entering the materials of higher saturated hydraulic conductivity in the Pebble Band. The Pebble Band is underlain by low-conductivity deposits of pre-Illinoian till. Even though the upper oxidized portion of the glacial till is reported to have macropores, the Pebble Band prevented deeper infiltration of storm water by maintaining a strong component of horizontal hydraulic gradient. Chemical data indicate that the Pebble Band is a hydraulic-conductivity boundary that abruptly changes the unsaturated-flow mechanism from macropore flow to matrix flow.
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  • 20
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    Hydrogeology journal 8 (2000), S. 63-76 
    ISSN: 1435-0157
    Keywords: microbial processes ; contamination ; bioremediation ; natural attenuation ; heterogeneity
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
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  • 21
    ISSN: 1435-0157
    Keywords: arsenic ; contamination ; sedimentary rocks ; hydrochemistry ; USA
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: Résumé De fortes concentrations en arsenic, jusqu'à 12000 μg/L, ont été mesurées dans l'eau souterraine d'un aquifère gréseux captif, dans l'est du Wisconsin. La principale source d'arsenic est un horizon à cimentation secondaire (SCH) comportant des sulfures, dont l'épaisseur, la morphologie et les concentrations en arsenic sont variables. L'arsenic est présent dans la pyrite et dans la marcassite, de même que dans des oxy-hydroxydes de fer, mais non pas dans une phase séparée d'arsénopyrite. Les signatures isotopiques du soufre presque identiques dans la pyrite et dans les sulfates dissous et la corrélation entre les concentrations en sulfates, en fer et en arsenic dissous laissent penser que l'oxydation des sulfures est le processus dominant contrôlant la libération de l'arsenic dans les eaux souterraines. Cependant, les oxy-hydroxydes contenant de l'arsenic sont susceptibles d'être une autre source d'arsenic si des conditions réductrices apparaissent ou s'ils sont transportés dans l'aquifère sous forme de colloïdes. L'analyse des données provenant de puits montre que l'intersection entre le SCH et les niveaux statiques des puits domestiques est fortement corrélée à de fortes concentrations en arsenic dans les eaux souterraines. Des données de terrain et de laboratoire conduisent à penser que la contamination en arsenic la plus forte est causée par l'interaction localisée aux forages entre l'air, l'eau et les sulfures. Bien que la contamination en arsenic soit causée par l'oxydation de sulfures présents naturellement, elle est influencée par les fluctuations du niveau piézométrique causées par les pompages du captage municipal ou par les variations climatiques, ce qui peut conduire au déplacement des zones géographiques où se produisent les contaminations.
    Abstract: Resumen Se han medido concentraciones de arsénico muy altas (de hasta 12000 μg/L) en las aguas subterráneas de un acuífero confinado, en areniscas, localizado en la parte oriental de Wisconsin (EEUU). La fuente principal de arsénico es un horizonte de cementación secundaria (SCH) con un alto contenido en sulfuros, y con una gran variabilidad en espesor, morfología y concentraciones de As. El arsénico aparece en piritas y marcasitas, además de en oxihidróxidos de hierro, pero no como una fase independiente de arsenopiritas. El hecho que la marca isotópica de piritas y sulfatos disueltos sea muy similar, y que exista una gran correlación entre las concentraciones de sulfato disuelto, hierro y arsénico sugiere que la oxidación de sulfuros es el proceso que controla la aportación de arsénico al agua subterránea. Sin embargo, los oxihidróxidos con alto contenido en arsénico podrían suponer otra fuente de arsénico si se llegaran a desarrollar condiciones reductoras o si se transportaran como coloides por el acuífero. De los datos procedentes de pozos, se ve una fuerte correlación entre la presencia de altas concentraciones de As en el agua y que el nivel freático intersecte el SCH. Los datos de campo y de laboratorio indican que los puntos con mayor contaminación de arsénico son debidos a interacciones de carácter local y en los propios pozos entre aire, agua y sulfuros. Aunque la contaminación por As está causada por la oxidación de sulfuros presentes de manera natural, también está muy influenciada por las fluctuaciones en los niveles freáticos causadas por bombeos o cambios climáticos.
    Notes: Abstract High arsenic concentrations (up to 12,000 μg/L) have been measured in groundwater from a confined sandstone aquifer in eastern Wisconsin. The main arsenic source is a sulfide-bearing secondary cement horizon (SCH) that has variable thickness, morphology, and arsenic concentrations. Arsenic occurs in pyrite and marcasite as well as in iron oxyhydroxides but not as a separate arsenopyrite phase. Nearly identical sulfur isotopic signatures in pyrite and dissolved sulfate and the correlation between dissolved sulfate, iron, and arsenic concentrations suggest that sulfide oxidation is the dominant process controlling arsenic release to groundwater. However, arsenic-bearing oxyhydroxides can potentially provide another arsenic source if reducing conditions develop or if they are transported as colloids in the aquifer. Analysis of well data indicates that the intersection of the SCH with static water levels measured in residential wells is strongly correlated with high concentrations of arsenic in groundwater. Field and laboratory data suggest that the most severe arsenic contamination is caused by localized borehole interactions of air, water, and sulfides. Although arsenic contamination is caused by oxidation of naturally occurring sulfides, it is influenced by water-level fluctuations caused by municipal well pumping or climate changes, which can shift geographic areas in which contamination occurs.
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  • 22
    ISSN: 1435-0157
    Keywords: groundwater protection ; numerical modeling ; pesticides ; contamination
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: Résumé Les pesticides sont une menace potentielle pour la qualité de l'eau souterraine prélevée lorsque la zone de captage est soumise à des activités agricoles. Ce problème est discuté dans le cas de la zone de captage de Sint-Jansteen (Pays-Bas), où les concentrations mesurées en pesticides dans les eaux pompées dépassent régulièrement les normes européennes (0,1 μg/L). Les échantillons d'eau souterraine prélevés dans l'aquifère dans la zone de captage montrent une faible contamination, mais les échantillons d'eau pompée contiennent occasionnellement des pesticides, ce qui rend l'eau impropre à la consommation. La contamination plus importante de l'eau pompée est provoquée par la modification des directions d'écoulement souterrain naturel au voisinage des puits de pompage. Dans cette région, l'usage des pesticides ne peut pas être évité facilement; c'est pourquoi une approche est développée pour différencier les usages de pesticides dans ce secteur en fonction des temps de parcours prévus en direction des puits et des caractéristiques chimiques des pesticides. Un modèle d'écoulement des eaux souterraines pour cette région a été développé et les effets des pompages sur les directions d'écoulement naturel ont étéévalués. Les zones de temps de parcours ont été déterminées au moyen de la méthode du suivi de particules (particle tracking). La combinaison de ces résultats avec le comportement de certains pesticides au cours de leur dégradation conduit à un schéma optimisé conciliant les activités agricoles et les prélèvements d'eaux souterraines dans cette région. Cette question est abordée pour cinq types de pesticides (atrazine, simazine, bentazone, MCPA et mecoprop).
    Abstract: Resumen Los pesticidas son una amenaza para la calidad de las aguas subterráneas cuando el área de suministro se encuentra en una zona agrícola. Un ejemplo tiene lugar en la zona de Sint-Jansteen, Holanda, donde mientras que las muestras de agua subterránea tomadas directamente del acuífero tienen un bajo nivel de contaminación por pesticidas, las muestras tomadas del agua extraída exceden con regularidad los límites de la UE (0.1 μg/l), lo que hace que el agua sea no potable. Esta diferencia está causada por las variaciones respecto al régimen de flujo natural a consecuencia de las propias extracciones. En esta zona el uso de pesticidas es difícilmente evitable, por lo que se está desarrollando un método para diferenciar la posibilidad de uso de pesticidas en función de las características químicas de los pesticidas y de su tiempo de tránsito esperado hasta los pozos de abastecimiento. Se está desarrollando un modelo matemático para evaluar los efectos de las extracciones sobre el flujo subterráneo natural. Usando el método de seguimiento de partículas se calculan los tiempos de tránsito, y combinando estos resultados con la biodegradación potencial de los pesticidas se diseña un esquema óptimo para la integración de actividades agrícolas y de uso de boca en el área. Esta metodología se muestra para distintos tipos de pesticidas.
    Notes: Abstract Pesticides are a potential threat to the quality of extracted groundwater when the water-supply area is used for agricultural activities. This problem is discussed for the water-supply area of Sint-Jansteen, The Netherlands, where measured pesticide concentrations in the extracted water regularly exceed EU limits (0.1 μg/L). Groundwater samples taken from the aquifer within the water-supply area show low contamination, but samples taken from the extracted water occasionally contain pesticides, making the water inadequate for drinking-water purposes. The more intense contamination of the extracted water is caused by the change in the natural groundwater flow pattern near the extraction wells. In this area, pesticide use cannot be avoided easily, and an approach is given to differentiate pesticide use in the area according to expected travel time toward the wells and the chemical characteristics of the pesticides. A groundwater flow model for the area is developed and the effects of groundwater extraction on the natural flow pattern are evaluated. Using particle tracking, the travel-time zones are determined. Combining these results and the degradation behavior of certain pesticides led to an optimal scheme to integrate agricultural activities and groundwater extraction in the area. This is illustrated for five different types of pesticides (atrazine, simazine, bentazone, MCPA, and mecoprop).
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  • 23
    ISSN: 1435-0157
    Keywords: salinization ; hydrochemistry ; evaporites ; contamination ; Morocco
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences
    Description / Table of Contents: Résumé L'étude de la variation spatio-temporelle des paramètres hydrochimiques du bassin de l'oued Issen, a révélé son étroite relation avec la variation des cycles hydroclimatologiques. Les fortes concentrations sont enregistrées principalement en périodes de crues pendant lesquelles s'opère d'une part, le lessivage des affleurements du bassin par un réseau hydrographique assez dense et d'autre part un arrêt des lâchés d'eau du barrage principal Abdelmoumen. Cette variation dépend aussi de la prédominance des affluents entre les deux rives de l'oued; leurs apports respectifs étant hydrochimiquement très différenciés: (1) les affluents de la rive droite qui lessivent essentiellement les terrains évaporitiques du Trias supérieur et du Lias supérieur riches en gypse et en halite, font augmenter la minéralisation des eaux de l'oued Issen en direction du barrage Abdelmoumen; (2) la bonne qualité de l'eau observée au niveau du bassin amont est conditionnée par l'importante dilution obtenue à partir des affluents de la rive gauche, qui lessivent essentiellement les terrains paléozoïques; (3) dans la partie médiane du bassin, l'augmentation de la minéralisation de l'oued devient excessive surtout entre les deux barrages (Abdelmoumen et Dkhila). La contribution en NaCl de la source salée Tirkou, située en aval du premier barrage, se fait sentir essentiellement en période de crue pendant laquelle s'opère un arrêt de lâchés d'eau douce vers le deuxième barrage. Par ailleurs, l'héritage de l'histoire géologique du bassin, induit l'existence de zones à forte salinité observées particulièrement au sud-ouest (horizon de Boulebaz) du bassin. La présence des sources très salées contrôlées par les accidents affectant le réseau hydrographique, se repercute de façon négative sur la qualité des eaux de l'Issen et par conséquent sur les eaux de la nappe phréatique libre du Souss.
    Abstract: Resumen El estudio de las variaciones espaciales y temporales de algunas propiedades hidroquímicas en la cuenca del Guad de Issen, Marruecos, ha puesto de manifiesto la gran relación entre las aguas, las características litológicas y geológicas de la zona y las variaciones climáticas. Se llegan a medir concentraciones altas de cloruro sódico durante los periodos de avenidas, cuando la cuenca es lavada por toda una serie de arroyos que forman una densa red de drenaje. Las variaciones hidroquímicas dependen de la contribución relativa de los arroyos tributarios a ambos lados del guad, que presentan composiciones muy diferentes: (1) los tributarios de la zona Norte, que lavan preferentemente terrenos evaporíticos del Triásico Superior y el Lias Superior y que son ricos en yeso y halita, hacen aumentar el grado de mineralización de las aguas del Guad de Issen que fluyen hacia la Presa de Abdelmoumen; (2) la baja salinidad de las aguas que se observa en la zona más alta de la cuenca se debe al lavado de un macizo paleozoico; (3) en la zona intermedia, se produce un aumento progresivo de la mineralización de las aguas del guad entre las presas de Abdelmoumen y Dkhila (situada inmediatamente aguas abajo), debido a la pobre dilución de las aguas por los escasos arroyos tributarios situados al sur. Además, durante los periodos de inundación se cierra el flujo normal de salida desde la primera presa, de modo que la contribución principal de NaCl al guad procede del manantial de Tirkou, de muy alta salinidad, y que está situado aguas abajo de la primera presa. Las características geológicas de la cuenca han influenciado el desarrollo de zonas de alta salinidad, particularmente al sudoeste, cerca de la confluencia entre los guades Boulebaz e Issen. La descarga de manantiales con aguas muy salinas, que degradan de modo importante la calidad del Guad Issen, está controlada por fallas. Estas aguas posteriormente recargan un acuífero libre, que fluye hacia la llanura del Guad Souss.
    Notes: Abstract The study of spatial and temporal variations of some hydrochemical properties in the Oued Issen watershed, Morocco, has revealed their close relation to the area's lithologic and geologic characteristics and to variations in hydroclimatological cycles. High concentrations of sodium chloride are measured during flood periods, when the outcrops of the basin are leached by streams draining the rather dense hydrographic network. These variations depend also on the relative abundance of tributaries on both sides of the Oued, their respective contributions being hydrochemically very different: (1) northern-side tributaries, which mainly leach evaporitic terranes dating from the Late Triassic and Late Liassic periods and which are rich in gypsum and halite, increase the mineralization of the Oued Issen waters flowing toward the Abdelmoumen Dam; (2) the low salinity of water observed in the upstream portion of the watershed is due to dilution by waters from the southern-side tributaries, which are derived from snowmelt and the leaching of the high Paleozoic massif; (3) in the middle part of the basin, the increase in mineralization of the Oued Issen becomes substantial between the Abdelmoumen Dam and the Dkhila Dam, the next dam downstream, due to the absence of dilution by waters from the southern-side tributaries, which are sparse in this part of the basin. In addition, during flood periods, the outflow from the first dam is stopped. Thus, the main contribution of NaCl to the Oued is from the very salty Tirkou spring, which is situated downstream from the first dam. The geological characteristics of the basin have induced the development of high-salinity zones, which are particularly evident in the southwestern part of the basin in the vicinity of the confluence of the Oued Boulebaz with the Oued Issen. The discharge of very salty springs is controlled by faults that offset the formations that underlie the hydrographic network and degrade the quality of the Oued Issen. This water later recharges the unconfined aquifer along the Oued where it flows on the Oued Souss Plain.
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  • 24
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    Environmental geochemistry and health 22 (2000), S. 173-193 
    ISSN: 1573-2983
    Keywords: chemical elements ; contamination ; environment ; geochemistry ; soils
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Medicine
    Notes: Abstract First results are presented from the ‘Urban geochemistry of Tallinn’, a project supported by the Scientific and Environmental Affairs Division of NATO. The distribution of chemical elements in 532 samples of the topsoils from the territory of the biggest industrial centre of Estonia (pop. 500,000) is interpreted. Statistical analysis and mapping of major and trace elements at the territory of the Tallinn region and of the city were performed and background values and local anomalies of chemical elements on the territory were determined. The investigation focussed on the determination of zones with anomalously high concentrations of elements and the relationships of soil contamination with different pollution sources. The increase of the element concentrations has natural as well as anthropogenic origins. A detailed comparative analysis of the element distributions and the results of a factor analysis showed that the distribution of the major chemical elements depended mainly on the composition of the underlying sedimentary rocks. The territory of Tallinn is characterised by relatively high and widespread concentrations of Ba, Cr, Ga, Ni, Ti and Zn. Especially intensive local concentrations were determined for As, Cr, Mn, Ni, Pb, S, V and Zn, which are typical for the local pollution of the soils by industrial sources. The levels of As, Cr, Mn and V are more than three times. Pb and Zn are more than five times higher in the geochemical anomalies than for background levels. For the Tallinn region two major associations of elements connected with industrial pollutions of the soil are typical: the first association includes Ba, Cr, Mn, Ni and partly Fe and the second one includes As, Pb and Zn. For the city of Tallinn an increase of Ag, Ba, Be, La, Pb, Sn and Zn concentration in the soil was detected. Ba, Cr, Mn and Ni occur in high concentrations in the soils around Maardu. Different types of contamination sources can be identified in Tallinn and its suburbs.
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