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  • 04. Solid Earth::04.06. Seismology::04.06.05. Historical seismology
  • 550 - Earth sciences
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  • 2000  (253)
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  • 2005-2009
  • 2000-2004  (253)
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  • 1
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2021-02-25
    Description: Die im Norddeutschen Becken vorkommenden hochsalinaren, heißen Tiefenwässer besitzen ein beträchtliches Wärmepotential, das bisher in Neustadt-Glewe, Neubrandenburg und Waren zur Energiegewinnung genutzt wird. Das Ziel der vorliegenden Arbeit bestand zum einen darin, die Herkunft und die Genese dieser Solen und der in ihnen gelösten Stoffe zu rekonstruieren. Ein zweiter Schwerpunkt bestand in der Ermittlung geochemischer Parameter, die für einen problemlosen Langzeitbetrieb geothermischer Anlagen und somit für deren Wirtschaftlichkeit von Bedeutung sind. Die untersuchten Solen stammten aus Aquiferen, die durch fünf Bohrungen (Neubrandenburg, Waren, Rheinsberg, Neustadt-Glewe, Hamburg-Allermöhe) in Tiefen von 1250 bis 3250 m (54 bis l28°C) erschlossen wurden. Alle untersuchten Na-Cl-Solen wurden aus Sandsteinaquiferen des Keuper (Contorta!Postera-Schichten) gefördert, für die mit zunehmender Tiefe steigende TDS-Gehalte (134 bis 224 g/1) charakteristisch sind. Die Zusammensetzung der gelösten Feststoffe blieb über einen Zeitraum von 3 Jahren konstant. Die Br/CJ-Verhältnisse der Solen sind kleiner als in eingedampftem Meerwasser. Dies und 811B-Werte von +23.8 %o bis +36.3 %o indizieren die Herkunft des Salzgehaltes durch Auflösung/Laugung von Salzen. Das Gas-Wasser-Volumenverhältnis in Proben geothermisch genutzter Solen liegt bei max. 1:10. Die Gasphase wird von C02, N2 und CH4 dominiert, wobei der Gehalt an C02 und CH4 mit der Tiefe zunimmt. Als Spurengase treten He, Ar, H2 und weitere Kohlenwasserstoffe auf (jeweils 〈1 Vol.-%). Die Gasphase des Thermalwassers Neustadt-Giewe zeigte über einen Zeitraum von 2 Jahren keine Änderung in ihrer Zusammensetzung. Periodische Schwankungen in sehr kleinen Konzentrationsbereichen während einer mehrtägigen Gasmeßkampagne korrelieren mit den Erdgezeiten. Die N2-Ar-He-Verhältnisse zeigen, daß es sich um tiefzirkulierende Oberflächenwässer handelt. Untermauert wird diese Interpretation durch die sehr niedrigen 3HefHe-Verhältnisse (R!Ra:S;O.Ol), die keine Mantelheliumkomponente anzeigen, sowie die gegenüber Luft (295.5) leicht erhöhten 40 Ar/36 Ar-Verhältnisse von bis zu 367.5. He-Akkumulationsalter als scheinbare Verweildauer der Solen von 20 bis 50 Ma wurden berechnet. Das Tiefenwasser von NeustadtGiewe besaß gegenüber den anderen Lokationen erhöhte Kohlenwasserstoffgehalte. Die 813C1,2,3- Werte weisen auf thermogenetische Kohlenwasserstoffe und auf ein marines Ausgangsmaterial mit einer Reife, die einer Vitrinitreflektion von etwa 1.2 % entspricht, hin. Die Herkunft aus Corgreichen Zechstein-Sedimenten ist wahrscheinlich, organisches Material des wesentlich tiefer liegenden Karbons scheidet als Quelle aus. Die 8180- und öD-Werte der Wässer zeigen an, daß meteorisches Wasser bei der Genese eine bedeutende Rolle gespielt hat. Die ermittelte isatopische Zusammensetzung der meteorischen Komponente weicht von heutigen Niederschlagswässern ab und weist einen letztmaligen Kontakt mit der Atmosphäre zu einer Zeit deutlich wärmeren Klimas als das heutige nach. Die in einem Thermalwasser vorhandenen Gase können die technologische Eignung der Sole und den Betrieb einer geothermischen Anlage maßgeblich beinflussen (Scaling, Auftreten brennbarer Gase, Entlösung von Gasen). Bei Vorhandensein Corg-reicher Sedimente nimmt die Wahrscheinlichkeit des Auftretens brennbarer Gase in Wässern aus größerer Tiefe, die durch ihre höhere Temperatur wirtschaftlicher sind, zu. Um die Entgasung eines Tiefenwassers innerhalb einer Anlage zu verhindem und somit Scaling und unkontrolliertes Entgasen zu minimieren, wurde anhand Literaturdaten exemplarisch für den Thermalwasserkreislauf der Anlage Neustadt-Giewe (Sole mit den höchsten Gasgehalten) ein Mindestanlagendruck berechnet. Danach sind etwa 2 bar ausreichend, um ein Entgasen der Sole zu verhindern; Strömungseffekte erfordern jedoch eine Erhöhung des Anlagendrucks auf etwa 4 bar. Die zeitliche Konstanz in der Zusammensetzung der gelösten Feststoffe und der Gasphase über einen Zeitraum von 2 bzw. 3 Jahren zeugt von einer relativ großen räumlichen Homogenität der Aquifere, wodurch der Betrieb der Anlagen durch Änderungen in der chemischen Zusammensetzung der Solen kaum gefährdet zu sein scheint. Die Ergebnisse der vorliegenden Arbeit haben gezeigt, daß sowohl bei der hydrodynamischen Vorerkundung als auch während des Betriebes eines geothermischen Heizwerkes die genaue Kenntnis der Gasmengen und der Gaszusammensetzung von entscheidender Bedeutung ist.
    Description: Deep seated hydrothermal brines in the North German Basin have a considerable heat potential, which is currently used for geothermal energy recovery in Neustadt-Glewe, Neubrandenburg and Waren. One aim of this study was to reconstruct the origin of these brines and their dissolved substances. Another goalwas to determine geochemical parameters which are critically influence the long-term operation, and hence the econornic viability of geothermal plants. The brines come from aquifers which have been accessed by 5 boreholes (Neubrandenburg, Waren, Rheinsberg, Neustadt-Glewe, Hamburg-Allermöhe) in depths from 1250 to 3250 m (54 to 128 °C). All investigated Na-Cl-brines were produced from sandstone aquifers of the Keuper (Contorta!Postera layers). Typically, TDS-values (134 to 224 g/1) increase with depth. The compositions of the dissolved solids were constant during 3 years. The Br/Cl ratios of the brines are lower than evaporated sea water. This, and 811B-values of +23.8 %o up to +36.3 %o indicate dissolution/leaching of salt as the origin of the salt content. The gas-water volume ratio of samples from brines used for geothermal energy recovery are less than around 1:10. The gas phase is dorninated by C02, N2 and C~ with higher C02- and C~ contents with increasing depths. He, Ar, H2 and other hydrocarbons exist as traces ( 〈1 vol.% each). The gas phase of the thermal water from Neustadt-Giewe showed no changes in its composition during 2 years. Small · periodical variations in the concentrations obtained from gas monitaring over several days correlate with the earth tides. The N2-Ar-He ratios show that the waters are deep-circulating meteoric waters. This interpretation is supported by very low 3HefHe ratios (R!Ra:S;O.Ol), which show no mantle helium, and 40 ArP6 Ar ratios up to 367.5, which are slightly enhanced compared to air (295.5). He accumulation ages, taken as the apparent residence time of the brines, were calculated to be 20 to 50 Ma. Compared to the other locations the formation water from Neustadt-Giewe contained enhanced hydrocarbon contents. The 813C1,2,3 values point to thermogenic hydrocarbons and to a marine source rock with a maturity corresponding to about 1.2 % vitrinite reflectivity. An origin from Corg-rich Zechstein sediments seems probable, organic material from significantly deeper-seated Carboniferous formations can be ruled out. The 8180 and ÖD values of the waters confirm that meteoric water played an important role in the brine genesis. The determined isotopic composition of the meteoric component deviates from recent precipitation and indicates a last contact with the atmosphere at a time when climate conditions were significantly warmer than today. Gases dissolved in thermal waters can significantly affect both the technological suitability of a brine and the operation of a geothermal heat plant (scaling, degassing, occurence of flammable gases). If Corg-rich sedimentary rocks occur, the probability of the occurence of flammable gases increases in waters from larger depths, which are more economic due to their higher temperature. The pressure needed to prevent degassing inside a plant and thus to rninirnize scaling and uncontrolled degassing was calculated for the example of the thermal water cycle at Neustadt-Giewe (brine with the highest gas content). About 2 bars are sufficient to prevent degassing; however, flow effects require increasing the pressure up to about 4 bars. The constant composition of both the dissolved solids and gases over a period of 2 to 3 years is a sign of a relatively large spatial uniformity of the aquifers. Therefore the continuous operation of the plants seems unlikely to be endangered by a change in the chernical composition of the brines. The results of this study have shown that during the hydrodynarnic reconnaissance as weil as during the operation of a geothermal heat plant, precise knowlegde of the gas concentration is of essential importance.
    Keywords: 550 - Earth sciences
    Language: German
    Type: info:eu-repo/semantics/doctoralThesis
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  • 2
    Publication Date: 2022-11-15
    Keywords: 550 - Earth sciences
    Type: info:eu-repo/semantics/report
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  • 3
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 4
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
    Type: info:eu-repo/semantics/doctoralThesis
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  • 5
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
    Type: info:eu-repo/semantics/report
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  • 6
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 7
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 8
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 9
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Description: Receiver function analysis is routinely used to isolates P-to-S converted waves from a complex of earthquake recordings s as to explore crustal and upper mantle structures and to infer possible geodynamic processes within the Earth. In the last several years the number of deployments of portable seismic arrays has been greatly increased. The conventional receiver function method, which stacks receiver functions at a single station, is not suitable for such a large amount of data. In this thesis modifications of the receiver function method have been made. Techniques of reflection seismology have been introduced into the receiver function analysis. Modified receiver function method has been successfully applied to the seismological data acquired in Tibet and the Central Andes. In these two Earth"s largest and highest plateaus, data of many available seismic broadband and short-period experiments have been collected. In Tibet, data of the INDEPTH II and GEDEPTH I experiments in southern Tibet and the PASSCAL 91/92 experiment across the central Tibetan Plateau have been combined. A Total number of about 50 stations were distributed roughly in a NNE directed profile. More than 900 receiver functions have been obtained. In the Central Andes, more than 200 stations have been deployed within the experiments of PISCO, CINCA, ANCORP, PUNA and KDS of the project of the SFB 267, and the BANJO and SEDA broadband arrays of the PASSCAL experiments. More than 640 teleseismic receiver functions have been obtained. Results are summarized in the following. (1) Crustal thicknesses under the two plateaus are reliably determined by Teleseismic receiver functions. P-to-S converted waves at the Moho are clearly seen under the Tibetan plateau and under Central Andean plateau. In southern Tibet the Moho is 75-80 km deep. In northern Tibet it becomes shallower to a depth of 55-60 km. In the Central Andes, the continental Moho is 65-70 km deep beneath the Andean Plateau (it appears to be 15 km shallower beneath Puna than beneath Altiplano). The Moho abruptly reduces its depth beneath the eastern edge of the Eastern Cordillera (65-64.5°W) and remains 45-50 km depth in the Sub Andes. Further east there is another abrupt reduction of Moho depth between the Sub Andes and the Chaco Plain. The Moho is 30-35 km beneath the Chaco Plain. (2) Evidence of crustal-scale underthrusting is found in Tibet as well as in the Andes. The INDEPTH data clearly show an intra-crustal phase at a depth of 50-60 km in the southern Tibet. This conversion boundary is probably the evidence of the underthrust Indian crust. In the Andean data a more than 300 km west-dipping intra-crustal converter evidently marks the boundary of the underthrust Brazilian shield crust. This boundary exists across the entire Altiplano and Puna plateau from 20 km depth below the Eastern Cordillera to 40 km depth below the Western Cordillera and the Precordillera. In both plateaus, most of the thickened crust, if not all, can be attributed to the crustal-scale underthrusting. (3) Plate boundaries are found to a depth of about 250 km between the Indian and the Asian lithospheric mantle and to a depth of about 120 km between the Nazca plate and the South American plate. However, the nature of these boundaries is different. In the Central Andes, the plate boundary is interpreted as the oceanic Moho of the Nazca plate, above which a 10 km layer of oceanic crust with lower seismic velocity suggests that the gabbroic rocks do not completely transform to eclogite until a depth of 120 km. Most of the intermediate depth seismicity stops at the same depth, suggesting a relation with phase transformation. In Tibet the observed plate boundary of the two lithosperic mantles probably reflects the temperature difference between the two plates. The cold Indian mantle is subducted under the warm Asian mantle. The Temperature difference can be as high as 500.700 ° resulting in large seismic velocity contrast. (4) Interesting variations have been found in the upper mantle discontinuities which are related to the plate collision and subduction processes. In Tibet, the 410 km discontinuity is clearly seen in its globally average depth in the south, and is disturbed and becomes complicated in the north. The 660 km discontinuity is continuously displayed throughout the Tibetan profile. Similarly, in the Central Andes, the 410 km discontinuity is not imaged coherently, which is obviously attributed to the subduction complexity of the phase transformation of the mantle rocks. It is interesting to see that the 660 km discontinuity is depressed by about 30-40 km in the region of the cold Nazca slab, which corresponds to a temperature reduction of 300-600° within the slab.
    Keywords: 550 - Earth sciences
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  • 10
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 11
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 12
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 13
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 14
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 15
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 16
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 17
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    Deutsches GeoForschungsZentrum GFZ
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    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 18
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    Deutsches GeoForschungsZentrum GFZ
    In:  Scientific Technical Report STR
    Publication Date: 2022-11-24
    Keywords: 550 - Earth sciences
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  • 19
    ISSN: 1570-7458
    Keywords: butterfly ; Formicidae ; food ; growth ; mutualism ; myrmecophily ; parasitism
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Caterpillars of the lycaenid butterfly Maculinea rebeli Hirschke (Lepidoptera: Lycaenidae) live for 11–23 months as social parasites in Myrmica (Hymenoptera: Formicidae) red ant nests, a trait that is believed to have evolved from mutualistic myrmecophilous ancestry. Although Maculinea rebeli caterpillars harm Myrmica larvae, they simultaneously produce copious secretions which the adult worker ants imbibe, perhaps representing a vestige of the ancestral mutualism. We report the results of laboratory experiments designed to test alternative hypotheses: (i) Maculinea rebeli caterpillars provide a beneficial source of sugar in return for being tended by Myrmicaworkers; (ii) Maculinea rebeli harms its host by stressing the workers by competing for available sugar. Comparisons were made of Myrmica worker fitness after 90–450 days under all possible combinations of three experimental treatments: ± M. rebeli caterpillars, ± sucrose and ± ant brood. Caterpillars always reduced the survival of both ant workers and their larvae, even when sugar was not provided, suggesting that M. rebeli is wholly parasitic on all stages in its host colony. The results also confirmed the importance of sucrose in the diet of Myrmica, and showed that M. rebeli caterpillars which eat ant brood to supplement their normal trophallactic feeding by workers develop more quickly - but have the same survival and pupal weights – as caterpillars that are fed solely by worker ants.
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  • 20
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 30 (2000), S. 7-10 
    ISSN: 1572-8854
    Keywords: crystal structure ; uranium (IV) ; dichlorophenoxide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The reaction of UCl4 with KO-2,6-Cl2C6H3 in tetrahydrofuran results in the preparation of the title compound. The six-coordinate complex possesses pseudo-octahedral geometry about uranium, with U-O(phenoxide) bond lengths in the range 2.161(11) to 2.178(10) Å and U-O(THF) bond lengths of 2.467(10) and 2.475(11) Å. This complex crystallizes in the monoclinic space group P21/n (a = 11.169(2), b = 11.588(2), c = 35.119(5) Å, β = 92.11(1)°, V = 4542.2(13) Å3, and Z = 4).
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  • 21
    ISSN: 1572-8854
    Keywords: iron ; crystal structure ; synthesis ; N-methylimidazole
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound [Fe(C4H6N2)6][C5H4NSO3]2 crystallized in the monoclinic space group, P21/n with unit cell parameters: a = 13.676(3), b = 8.345(2), c = 18.663(4) Å, β = 106.40(3)° and Z = 2. The title compound consists of a [Fe(C4H6N2)6]+2 hexacoordinated iron(II) cation and two C5H4NSO− 3 anions. In the cation the iron atom is coordinated to six N-methylimidazole imine nitrogen atoms in a distorted octahedral arrangement. The N1,N5,N1i,N5i atoms are coplanar and the iron lies in this plane.
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  • 22
    Electronic Resource
    Electronic Resource
    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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  • 23
    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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  • 24
    ISSN: 1572-8854
    Keywords: molybodophosphoric acid ; crystal structure ; diethylamine
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract An intermolecular compound, H3PMo12O40·5(CH3CH2)2NH·H2O, between the heteropolymolybdate α-H3PMo12O40 and the organic substrate diethylamine, has been synthesized and characterized. Light yellow crystals of the title compound were crystallized from a mixed solvent of water and acetonitrile with formula H3PMo12O40·5(CH3CH2)2NH·H2O. Spectroscopic data support the presence of a sizable electronic interaction between the organic substrate and the inorganic anion in the solid state. The single crystal x-ray structure analysis of the title compound revealed that it crystallized in the triclinic system, space group P $$\overline 1$$ with a = 12.0786(13), b = 12.102(5), c = 21.416(3) Å, α = 94.87(2), β = 94.755(9), γ = 113.81(2)°, V = 2830.3(13) Å3, and Z = 2.
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  • 25
    Electronic Resource
    Electronic Resource
    Springer
    Journal of chemical crystallography 30 (2000), S. 53-53 
    ISSN: 1572-8854
    Keywords: boroantimonate ; borate ; antimonate ; crystal structure ; 49
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract K3Sb4BO13, Mr = 823.11 g.mol−1, crystallizes in the triclinic system, space group P $$\overline 1$$ , Z = 2. The lattice parameters are a = 7.133(1) Å, b = 7.232(1) Å, c = 13.259(2) Å, α = 82.00 (1)°, β = 99.77(1)° and γ = 117.08(1)°, V = 598.7(2) Å3, Dx = 4.566 Mg m−3. The final R index and weighted Rw index are 0.0251 and 0.0623, respectively. The three-dimensional network of the title compound is constituted by layers (Sb3O9)n, similar to that of hexagonal bronze of Magneli. These layers are linked together, in the c direction, alternatively by edge-sharing pairs of SbO6 octahedra and BO3 triangles. This framework has interconnected tunnels, running approximately along the a and b directions, in which the K+ ions are located.
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  • 26
    ISSN: 1572-8854
    Keywords: brassinosteroids ; steroids ; natural products ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound (25R)-2α,3α-epoxy-5α-spirostan-6,23-dione, crystallizes as a hemi-ethyl acetate solvate, having two host molecules of similar conformation per molecule of ethyl acetate, in the asymmetric unit. The O atom of the epoxy group is α-oriented. The presence of the epoxy group disturbs the chair conformation in the ring A of the steroidal nucleus. Ring A has a C5α,C10β half-chair conformation. The six-membered rings B, C, and F have chair conformation as expected. The D ring adopts a C14α-envelope conformation and the E ring is midway between a C22α,O3β half-chair and a C22α-envelope conformations. The A/B, B/C, and C/D ring junctions are trans. Crystal data: C27H38O5·1/2C4H8O2, Monoclinic, space group P21, a = 7.7363(18) b = 28.769(12) c = 12.038(6) Å, β = 90.88(5), V = 2679.0(10) Å3, Z = 4. The packing of the molecules is assumed to be dictated by van der Waals interactions and by intermolecular C—H ··· O hydrogen bonds.
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  • 27
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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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  • 28
    ISSN: 1572-8862
    Keywords: copper telluride clusters ; copper telluro-tellurolato clusters ; crystal structure ; influence of phosphine ligands ; Frank-Kasper polyhedron
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The reactions of CuCl and tBuTeSiMe3 in the presence of phosphine ligands result in the formation of four new Cu/Te cluster complexes, [Cu18Te6(TetBu)6(PPh2Et)7], [Cu19Te6(TetBu)7(PEt3)8], [Cu27Te15(PiPr2Me)12] and [Cu58Te32(PtBu2 nBu)14], which have been structurally characterized by single crystal structural analysis. The former two clusters show a layer-type tellurium frameworks in which the copper atoms are asymmetrically spread. The latter two clusters possess a tellurium framework in a body-centered Te14-Frank-Kasper polyhedron or a Te28 polyhedron with four interstitial tellurium atoms and belong to mixed-valence Cu/Te compounds.
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  • 29
    ISSN: 1572-8862
    Keywords: gold ; osmium ; cluster ; carbonyl ; phosphine ; heteronuclear ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The reaction of the di-gold cation [Au2(dppx)]2+ with the heptanuclear cluster dianion [Os7(CO)20]2− affords the mixed metal cluster [Os7(CO)20{Au2(dppx)}] (x=m (1), e (2), b (3)). On standing, in solution, this complex undergoes decarbonylation to give the cluster [Os7(CO)19{Au2(dppx)}] (x=m (4), e (5), b (6)). The complexes have been characterised spectroscopically, and an X-ray structure determination of the dppm derivative shows that it contains a metal core based on an Os7 edge-bridged bicapped tetrahedron with the two μ 3-Au atoms capping adjacent triangular Os3 faces of the central tetrahedron. In an analogous reaction, the carbido anion [Os7(H)C(CO)19]− affords the neutral cluster [Os7C(CO)19{Au2(dppm)}] (7) when treated with [Au2(dppm)]2+ in the presence of base.
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  • 30
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    Journal of chemical crystallography 30 (2000), S. 589-592 
    ISSN: 1572-8854
    Keywords: Phenylcyclopentaneacetate derivative ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound crystallizes in space group P21/n, with a = 14.600(2), b = 7.091(2), c = 18.211(5) Å, and β = 103.67(2)°. Owing to the centric space group, both C(1) and C(3) chiral centers are either R or S. The acetate group is equatorial, the H(1) and the methyl group at C(3) are axial and reciprocally trans.
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  • 31
    ISSN: 1572-8854
    Keywords: crystal structure ; asymmetric synthesis ; spiro-cyclopropane derivatives
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystal structure of C41H53O7Br has been determined by single-crystal X-ray diffraction. The compound crystalline in the orthorhombic space group P212121, with a = 11.264(2), b = 12.058(2), c = 29.337(6) Å, Z = 4. The bond angles of cyclopropane moiety in the molecule are approximate to 60° and agree with theoretic values of the internal angles in a cyclopropane, and two chiral menthyloxy groups are located above and under the whole chiral molecule, respectively. The configuration of the pentacyclic lactone is shown as envelope form.
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  • 32
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    Journal of cluster science 11 (2000), S. 39-53 
    ISSN: 1572-8862
    Keywords: thermal motion ; crystal structure ; rhodium carbonyl
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The structure of Rh4(CO)12 (1) has been redetermined at room temperature and at 173 K. Crystallographic data for 1 at 293 K are as follows: C12O12Rh4, space group P21/c, a=9.209(3), b=11.790(7), c=17.721(8) Å, β=90.46(3)°, V=1924.0(16) Å3, Z=4, 5570 reflections to θ=30.0°, and R=0.030. For 1 at 173 K the data are as follows: space group P21/c, a=9.127(3), b=11.672(6), c=17.492(13) Å, β=90.64(5)°, V=1863.3(18) Å3, Z=4, 3782 reflections to θ=26.3°, and R=0.033. There was no detectable phase change on cooling to 173 K. Crystals of 1 are twinned by pseudo-merohedry, but a satisfactory refinement was obtained by assuming a (100) twinning mirror plane. TLS analysis of the anisotropic displacement parameters at both temperatures has been undertaken. Investigation of the mean square displacement difference between the observed and the rigid body displacement parameters reveals there is a signficant internal motion of the carbonyl ligands relative to the metal skeleton. This motion is consistent with a normal mode or modes of C 3 symmetry.
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  • 33
    ISSN: 1572-8862
    Keywords: nickel cluster ; fluorinated formamidine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract When a THF solution made from equimolar amounts of methyllithium and N,N′-bispentafluorophenyl formamidine, C6F5NC(H)N(H)C6F5, was added to a suspension of NiCl2 in THF and the mixture refluxed for 12 h, a bright yellow-green solution was formed, from which a bright green crystalline compound was obtained in 〉60% yield upon partial evaporation of the solvent. This compound, Li14(THF)8[Ni7Cl17(μ-formamidinate)3(μ-Cl)]2·9.4THF, crystallizes in the tetragonal space group P4 2/mnm (No. 136) with Z=2. The core consists of two Ni7 units bridged by two Cl atoms.
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  • 34
    ISSN: 1572-8862
    Keywords: crystal structure ; vanadium oxide ; organic template ; mixed valence
    Source: Springer Online Journal Archives 1860-2000
    Topics: Mechanical Engineering, Materials Science, Production Engineering, Mining and Metallurgy, Traffic Engineering, Precision Mechanics , Physics
    Notes: Abstract The synthesis and crystal structures of [H3NCH2CH2NH3][V2O6] (1) and [HN(CH2CH2)3NH][VV 2VIV 4O14]·H2O (2) are described. The structure of the oxidized compound 1 consists of parallel stacks of vanadium oxide chains of corner sharing {VO4} tetrahedra. The chains are stabilized by extensive hydrogen bonding involving oxide ligands of the chains and ethylenediammonium ions which fill the space between the stacks of chains. The structure of compound 2 consists of vanadium oxide layers separated by doubly protonated 1,4-diazabicyclo[2.2.2]octane and lattice water. The vanadium oxide layers, containing mixed-valence vanadium (VV and VIV) centers, are composed of zigzag ribbons of edge-sharing {VO5} square pyramids interconnected by {VO4} tetrahedra. Crystal data. C2H10N2O6V2 , 1: monoclinic, space group P21/c (No. 14), a=5.5359(5), b=12.9430(12), c=5.6856(5) Å, α=90, β=97.460(2), γ=90°, V=403.93(6) Å3, Z=2. A total of 2506 reflections (θ max=27.89°) was collected, of which 954 were used to resolve the structure. The structure was solved by direct methods and least-squares refinement converged at R=0.0592. C6H16N2O15V6, 2: monoclinic, space group C2 (No. 5), a=19.303(4), b=6.667(2), c=7.579(2) Å, α=90, β=111.31(2), γ=90°, V=908.4(4) Å3, Z=2. A total of 1779 reflections was collected, of which 1591 unique reflections were used for structural elucidation. The structure was solved by direct methods and least-squares refinement converged at R=0.0314.
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  • 35
    ISSN: 1572-8854
    Keywords: THBMBM ; BPB ; crystal structure ; helical packing ; columnar packing ; mesophase transition
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structures of the title compounds, tris(2-hydroxy-3-t-butyl-5-methylbenzene)-methane)C34H46O3.3H2O, 3) and N-benzyl-N-phenylbenzamide (C20H17NO, 6), have been investigated by X-ray crystallography. Compound 3 crystallizes in the trigonal space group $$P\bar 3 $$ with cell parameters a = 14.090(5) Å, b = 14.090(5)Å, c = 10.485(5)Å, Z = 2. Compound 6 crystallizes in the monoclinic space group C2/c with cell parameters a = 24.533(4)Å, b = 9.176(4)Å, c = 16.711(5)Å, β = 125.88(2)°, Z = 8. Compound 3 has both intra-and intermolecular hydrogen bonds. It also exhibits a helical columnar arrangement of the molecules and goes into mesophase before melting into an isotropic liquid.
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  • 36
    ISSN: 1572-8854
    Keywords: Triazole ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The 4-(p-methoxyphenyl)-3,5-bis(4-pyridyl)-1,2,4-triazole has been synthesized and its crystal structure has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P21/n, with a = 12.5832(6) Å, b = 7.0512(5) Å, c = 18.4669(12) Å, β = 96.826(1)°, and Dcalc = 1.345 g cm−1 for Z = 4. In the structure, two pyridyl rings, phenyl ring, and triazole ring do not share a common plane. The most favored orientation of the pyridyl rings in the crystal is that their planes are inclined toward opposite directions with respect to the triazole ring.
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  • 37
    ISSN: 1572-8854
    Keywords: 2,2′-Bipyrimidine ; low-spin ; iron ; crystal structure ; infrared
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The compound [Fe(bipym)33](CF3SO3)2 (in which bipym = 2,2′-bipyrimidine) crystallizes in the space group P21/c, with a = 13.7641(11), b = 18.7557(19), c = 12.3627(11) Å, β = 103.085(8)° and Z = 4. The low-spin Fe(II) atom is octahedrally surrounded by six nitrogen atoms of three bipyrimidine groups with Fe—N distances that vary from 1.968(4) to 1.975(4) å. In the far-infrared region the Fe—N vibrations are observed at 359 and 372 cm-1.
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  • 38
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    Journal of chemical crystallography 30 (2000), S. 483-487 
    ISSN: 1572-8854
    Keywords: Bis(guanidiniums) ; sulfate anion ; hydrogen bond ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Crystal structure of a novel bis(guanidiniums) compound 1 by sulfate anion and water, C11H20N6OċSO4ċH2O, was measured by X-ray crystallographic analysis with an “imaging plate” method. It possesses space group P21/c, with a = 7.6433(15), b = 19.447(4), c = 12.115(2) Å, β = 107.81(3)°, and φcalc = 1.420 mg/m3 for Z = 4. Crystal data indicate that the architecture network is formed through hydrogen bonds, electrostatic interactions, and arene–arene stacking interaction among the bis(guanidiniums) compound, the sulfate anion and water molecule.
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  • 39
    ISSN: 1572-8854
    Keywords: Bis[chloro-2-(2-hydroxy-4,5-dimethylphenylazo)-5,5-dimethyl-4,5,6,7-tetrahydrobenzothiazol-7-on]copper(II) ; thiazolylazo dye ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of C17H18ClCuN3O2S (M = 854.78, monoclinic, P21/c, a = 8.316(2), b = 18.461(4), c = 11.774(2) Å, β = 99.64(3)°, V = 1782.0(7) Å3, Z = 4) is formed by dimeric molecules [C17H18ClCuN3O2S]2 with two monomeric units linked together by two chlorine atoms. The Cu atom is coordinated by two chlorine atoms, an oxygen atom, the azo nitrogen atom attached to the benzene ring, and the nitrogen atom of the thiazole ring, in the form of a distorted tetragonal pyramid.
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  • 40
    ISSN: 1572-8854
    Keywords: 1,5-Diazacyclooctane (DACO) ; crystal structure ; boat/chair configuration
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The diprotonated perchlorate salt of a new 1,5-diazacyclooctane (DACO) mesocycle functionalized by two imidazole pendants, N,N′-bis(1-methylimidazole-2-methyl)-1,5-diazacyclo-octane (C16H28N6Cl2O8), has been synthesized and the structure determined by X-ray diffraction analysis. The title compound crystallizes in the monoclinic system, space group P21/c with a = 11.964(2), b = 13.251(3), c = 14.741(3) Å, β = 106.00(3)°, Mr = 503.34, V = 2246(1) Å3, Z = 4. The crystal structure of the title compound reveals that the DACO ring is also folded up into the “chair/boat” configuration, which is consistent with the configuration in most of the transition metal complexes of DACO and its derivatives. The two imidazole pendants of the compound are in cis position with a dihedral angle of 16.0(4)°.
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  • 41
    ISSN: 1572-8854
    Keywords: Iron(II) ; o-phenanthroline ; saccharinate ; crystal structure ; spectroscopic properties ; thermal behavior
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of the title compound, for short [Fe(o-phen)3](sac)2·(Hsac)·6H2O, has been determined by X-ray diffraction methods. It crystallizes in the monoclinic space group P21/n with a = 16.3190(1), b = 19.2890(1), c = 17.4490(2) Å, β = 92.586(1)°, V = 5486.95(8) Å3 and, Z = 4. The investigated compound constitutes the first example of a species in which uncoordinated saccharin and saccharinate anions are present in the structure. The crystallographic results reveal the subtle differences between the structure of the neutral molecule and its anion. The complex was also characterized by means of infrared, electronic, and 57Fe-Mössbauer spectroscopy. Its magnetic susceptibility was determined at room temperature and its thermal behavior investigated by means of thermogravimetric and differential thermal analytical techniques.
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  • 42
    ISSN: 1572-8854
    Keywords: Oxonium ions ; crystal structure ; molybdophosphate ; crown ether
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [(H3O)(C14H20O5)2][Me2NH2]2 [PMo12O40] · 2C14H20O5 1 was synthesized from benzo-15-crown-5 and H3PMo12O40·24H2O in N,N′-dimethylformamide for the first time. 1 crystallizes in the monoclinic space group C2/c with a = 18.583(4), b = 25.510(5), c = 19.904(4) Å, β = 94.66(3)° D c = 2.124 mg/m3 for Z = 4. Refinement based on 7358 observed reflections led to a R1(wR2) = 0.0378(0.0761). The complex cation, [(H3O)(C14H20O5)2]+, exhibits a sandwich structure by hydrogen-bonding in the mean distance of 2.955 Å. The anion, PMo12O40 3−, is a α-Keggin structure.
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  • 43
    ISSN: 1572-8854
    Keywords: azido ; crystal structure ; copper(II) ; infrared ; polymeric
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound, catena-[bis(azido-N)-copper(II)-μ(bis(2-benzimidazolyl)butane), [Cu(C18H18N4)(N3)2]n, was obtained from the reaction of the ligand bis(2-benzimidazolyl)butane and Cu(N3)2. The x-ray crystal structure is reported. The compound crystallizes in the monoclinic space group P21/c with a = 8.2524(10), b = 12.765(5), c = 9.1125(15) Å, β = 106.423(12)°, Z = 2. The Cu(II) ions are square-planar coordinated with trans-oriented end-on binding azido ligands. The structure is a polynuclear chain with the benzimidazole bridging at each end. In addition a N(ligand)-H···N(azido) H-bridge [N(ligand)···N(azido) = 2.994(7) Å] is present, resulting in a pseudo 2-dimensional lattice. The characteristic azido infrared vibrations are found at 2060 and 2077 cm−1 (νas(N3)) and 1284 and 1297 cm−1 (ν(N3)).
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  • 44
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    Journal of chemical crystallography 30 (2000), S. 633-639 
    ISSN: 1572-8854
    Keywords: Lanthanide ; oxalate ; glutarate ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A terbium complex associating two ligands, oxalate and glutarate, was prepared under hydrothermal conditions at 200°C by treating an aqueous suspension of terbium oxalate decahydrate with glutaric acid and guanidinium carbonate. Its structure was solved by X-ray diffraction on a single crystal. It crystallizes in the monoclinic space group P21 with lattice constants, a = 9.514(1) Å, b = 9.0681(8) Å, c = 19.702(2) Å, and β = 97.90(1)°. The terbium atoms and the oxalate ligands build dense chains which are connected by one side of the carboxylic group of some glutarate ligands, thus forming a sheet at the c level ≅ 0 and 1/2. These sheets are bridged by glutarate groups. The terbium atoms are ninefold coordinate with nine oxygen atoms of the ligands or with one water molecule and eight oxygen atoms of the ligands. Each polyhedron of the terbium atoms share one edge and one face of oxygen atoms with the two neighboring ones. The oxalate ligands are bischelating and bismonodentate. The coordination scheme of glutarate differs: either they are bismonodentate from one side and chelating and monodentate from the other side or they are chelating and monodentate from both sides.
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  • 45
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    Journal of chemical crystallography 30 (2000), S. 777-782 
    ISSN: 1572-8854
    Keywords: terbium complex ; holmium complex ; crystal structure ; trans-2,3-dimethylacrylic acid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Novel dinuclear complexes, [REL3(phen)]2 (where RE = Tb, Ho; HL = trans-2,3-dimethylacrylic acid; phen = 1,10-phenantheoline), were synthesized and determined by elemental analysis, infrared absorption spectra (IR), thermogravimetric analysis (TGA), and X-ray diffraction. The Tb complex crystallizes in space group P21/n with the cell dimensions a = 12.939(2) Å, b = 13.018(2) Å, c = 15.400(3) Å and β = 94.72(1)°. The Ho complex crystallizes in P (9) with a = 12.406(3) Å, b = 13.280(3) Å, c = 9.823(2) Å, α = 110.80(2)°, β = 103.42(2)°, γ = 63.67(1)°. The Tb atom is nine coordinate and the separation of Tb...Tb* is 3.97 Å. The Ho atom is eight coordinate and the separation of Ho...Ho* is 4.01 Å.
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  • 46
    ISSN: 1572-8854
    Keywords: crystal structure ; pyrazolide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound 1-(1′,3′-dimethyl-5′-chloropyrazol-4′-carbonyl)-3-(2′-chlorophenyl)-5-amino-4-cyanopyrazole (C16H12Cl2N6O) has been synthesized and characterized by X-ray diffraction: Triclinic, space group P1, with a = 8.6712(8) Å, b = 9.5091(10) Å, c = 11.2170(11) Å α = 71.531(2)°, β = 84.683(2)°, γ = 74.099(2)° Z = 2; V = 843.7(14) Å3. C(10), O(1), C(11), and N(2) atoms are coplanar with the average deviation of 0.0071 Å, which form 11.03° and 43.93° dihedral angles with pyrazole planes (I) and (II), respectively.
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  • 47
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    Journal of chemical crystallography 30 (2000), S. 805-809 
    ISSN: 1572-8854
    Keywords: organic phosphate ; crystal structure ; DTA/TG/DSC ; IR spectra
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Chemical preparation, calorimetric studies, crystal structure, and IR spectrometric investigation of (C2H5N4)2HPO4, denoted ATZP, are described. The compound crystallizes in the monoclinic system with C2/c space group. Its unit cell dimensions are a = 13.589(2) Å b = 11.105(2) Å c = 15.734(3) Å β = 104.68(2)°, V = 2296.8(7) Å3, and Z = 8. The structure of the title compound consists of a three dimensional network of H-bonds connecting all its components. The IR spectrum of ATZP is reported and discussed on the basis of group theoretical analysis.
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  • 48
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    Journal of chemical crystallography 30 (2000), S. 181-184 
    ISSN: 1572-8854
    Keywords: tungsten(II) ; diiodo ; dicarbonyl ; triisopropylphosphite ; 3-hexyne ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [WI2(CO)2{P(OiPr)3}(η2-EtC2Et)] crystallizes in the monoclinic space group P21/n, with a = 11.101(12), b = 16.272(18), c = 14.892(17) Å, β = 93.27(1), Z = 4. The geometry can be considered to be pseudo-octahedral, with the 3-hexyne ligand occupying one site, with two iodo-groups, and the P(OiPr)3 ligand completing the equational plane of ligands, with two trans-carbonyl groups occupying the axial sites.
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  • 49
    ISSN: 1572-8854
    Keywords: crystal structure ; AM1 ; x-ray diffraction ; Meldrum's acid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis and structural characterization of two 5-Arylidene derivatives of Meldrum's acid (2,2-dimethyl-1,3-dioxane-4,6-dione) are described: 5-(4-Nitrobenciliden)-2,2-dimethyl-1,3-dioxane-4,6-dione (3a), and 5-(4-Methoxybenciliden)-2,2-dimethyl-1,3-dioxane-4,6-dione (3b). The structure of 3a was refined to R1 = 0.0421 for 2148 reflections (with I 〉 2σ (I)). Crystal data for 3a: C13H11NO6, orthorhombic, space group Pbca, a = 16.008(3), b = 6.137(1), c = 25.281(5) Å, V = 2483.6(8) Å3, Z = 8. The structure of 3b was refined to R1 = 0.0496 for 4681 reflections (with I 〉 2σ(I)). Crystal data for 3b: C14H14O5, triclinic, space group P1, a = 9.131(2), b = 9.922(2), c = 14.490(3)Å, α = 85.076(6), β = 84.80(3), γ = 89.37(2)°,V = 1302.4(5) Å3, Z = 4. The results of crystallographic and molecular modeling (AM1) were compared. The molecules in the crystal are held together, in both compounds, by van der Waals forces and C—H···O hydrogen bond interactions.
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  • 50
    ISSN: 1572-8854
    Keywords: neoabietic acid ; amino(methyl)pyridine ; crystal structure ; molecular recognition ; H-bonding ; rosin acid
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Neoabietic acid has been separated from gum rosin mixture by the aid of molecular recognition using 2-amino-6-methyl-pyridine as recognition reagent. The complex of neoabietic acid with 2-amino-6-methy-pyridine crystallizes from ether solution in the monoclinic, space group P21 with cell parameters of a = 7.370(1), b = 8.692(1), c = 18.365(2) Å, β = 92.53(1)°,V = 1175.3(2) Å3 and Z = 2. X-ray structure analysis shows that an extensive H-bonding network exists between neoabietic acid and amino(methyl)pyridine, which is considered as one of the factors resulting in successfully separating the neoabietic acid from the gum rosin mixture.
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  • 51
    ISSN: 1572-8854
    Keywords: phosphine ; nickel(II) complexes ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The title compound dichlorobis(tribenzylphosphine)nickel(II), Ni[P(CH2C6H5)3]2Cl2, belongs to a type of tertiary phosphine coordination complex, M(PR3)2X2. There are two molecules in the unit cell which do not appear to interact chemically. Both molecules have a trans-square planar configuration with each nickel atom on a center of symmetry. Three benzyl groups are bonded to each phosphorus atom as rotors in a propeller, and the threefold axis is along the P—Ni bond, which has a mean length of 2.23(1) Å. Crystal data: C42H42Cl2NiP2, Triclinic, space group $$P\bar 1 $$ , a = 10.4892(15) b = 10.5249(12) c = 19.453(2) Å, α = 83.872(8), β = 76.839(9), γ = 62.241(8)°, V = 1850.5(4) Å3, Z = 2. There is an intramolecular hydrogen bond between the C3 and C11 atoms.
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  • 52
    ISSN: 1572-879X
    Keywords: aluminum oxide ; hydroxyl groups ; rhodium ; growth ; scanning tunneling microscopy ; infrared spectroscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract In order to investigate how the presence of surface hydroxyl groups on oxide surfaces affects the interaction with the supported metal, we have modified a well-ordered alumina film on NiAl(110) by Al deposition and subsequent exposure to water. This procedure yields a hydroxylated alumina surface as revealed by infrared and high-resolution electron energy loss spectroscopy. By means of scanning tunneling microscopy, we have studied the growth of rhodium on the modified film at 300 K. Clear differences in the particle distribution and density are observed in comparison to the clean substrate. While, in the latter case, decoration of domain boundaries as typical defects of the oxide film governs the growth mode, a more isotropic island distribution and a drastically increased particle density is found on the hydroxylated surface. From infrared data, it can be deduced that the growth is connected with the consumption of the hydroxyl groups due to the interaction between the metal deposit and the hydroxylated areas. This finding is in line with photoemission results published earlier.
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  • 53
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    Journal of chemical crystallography 30 (2000), S. 671-675 
    ISSN: 1572-8854
    Keywords: Synthesis ; crystal structure ; lutetium(III) ; cobalt(III) hexacyanide ; cyanide bridging
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal structure of the bimetallic cyanide bridged complex [(DMF)4(H2O)3LuCo(CN)6]·H2O (1) was obtained by single-crystal X-ray diffraction. The central lutetium(III) ion is eight coordinate arranged in a square antiprism while the cobalt(III) ion is six coordinate, oriented octahedrally. Molecules in the crystal lattice are held together by a network of hydrogen bonding. Crystallization of 1 occurs in the centrosymmetric monoclinic space group P21/c (No. 14) with a = 13.875(2), b = 8.8352(9), c = 24.633(2) Å β = 96.392(8)° and Z = 4.
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  • 54
    ISSN: 1572-8854
    Keywords: mixed metal diphosphates ; AI 2BII 3(P2O7)2 ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Syntheses and single-crystal X-ray structural results are reported for three new mixed diphosphates of the family AI 2BII 3(P2O7)2; Ag2Co3(P2O7)2 (I), Ag2Mn3(P2O7)2 (II), and Na2Cd3(P2O7)2 (III). All crystallize in the triclinic system, space group P1 bar: (I) a = 5.351(4), b = 6.375(4), c = 16.532(4) Å, α = 80.83(6) β = 81.45(4), γ = 72.87(5)°, V = 528.9(6) Å3, Z = 2, D calc = 4.649 mg/m3, R/Rw = 0.0428/0.0548 for 3949 obs. reflns; (II) a = 5.432(7), b = 6.619(6), c = 16.51(3) Å, α = 80.78(8) β = 82.43(9), γ = 72.82(7)°, V = 557.7(13) Å3, Z = 2, D calc = 4.338 mg/m3, R/Rw = 0.0679/0.1303 for 2100 obs. reflns and (III) a = 5.67(3), b = 7.08(4), c = 7.90(4) Å, α = 77.0(2), β = 82.5(2), γ = 67.8(2)°, V = 286(3) Å3, Z = 2, D calc = 4.249 mg/m3, R/Rw = 0.0307/0.0342 for 1945 obs. reflns. (I) and (II) are isostructural but (III) is of a different type. All three structures are characterized by layers of P2O7 groups alternating with layers of mixed metal atoms. Differences are seen in the conglomerate bonding patterns of B atoms and in the irregular geometry of Ag in (I) and (II) compared to the octahedral bonding seen for Na in (III). The differences in structure may be understood in terms of the ratios of the ionic radii of A and B atoms.
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  • 55
    ISSN: 1572-8854
    Keywords: calix[4]arene ; CH/π interaction ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Diethoxynitrobenzene-p-tert-butylcalix[4]arene⋅2(CH3)2C=O crystallized in the monoclinic system, space group P21/c, with cell dimensions a = 16.1437(2) Å, b = 21.0292(2) Å, c = 18.9685(3) Å and β = 110.308(1)°. The asymmetric unit consists of a diethoxynitrobenzene-p-tert-butylcalix[4]arene molecule and two solvated acetone molecules. Besides the usual CH/π interaction between p-tert-butylcalix[4]arene π cavity and a solvated acetone, this structure shows the intra- and intermolecular CH/π interactions among a nitrobenzene ring, ethylene bridge of the ethoxynitrobenzene side chain and a solvated acetone molecule.
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  • 56
    ISSN: 1572-8854
    Keywords: macrocycle ; hydroxyethyl pendant ; crystal structure ; hydrogen bonds
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The new macrocyclic compound bearing hydroxyethyl pendant arms containing p-xylyl spacers, 3,6,9,16,19,22-hexaaza-6,19-bis(2-hydroxyethyl)-tricyclo[22,2,2,211,14] triaconta-1,11,13,24,27,29-hexaene, crystallizes in the monoclinic space group P21/c with a = 8.700(2) Å, b = 18.301(4) Å, c = 11.766(2) Å, β = 108.57(2)°. The two hydroxyethyl pendants are at the opposite sides of the macrocyclic plane. Benzene rings in macrocycle are parallel and exist the π-π weak interaction with distance of 4.28 Å. The crystal packing of the macrocycle is stabilized by the hydrogen bonds.
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  • 57
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    Journal of chemical crystallography 30 (2000), S. 799-804 
    ISSN: 1572-8854
    Keywords: organic sulfate ; crystal structure ; DTA/TG/DSC ; IR spectra
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Chemical preparation, X-ray single crystal, thermal analysis, and IR spectrometric investigation of (C4H12N)2SO4, denoted tBAS, are described. The compound crystallizes in the monoclinic system with C2/c space group. Its unit cell dimensions are a = 11.1585(5) Å, b = 6.2148(4) Å, c = 20.070(1) Å, β = 102.004(4)°, V = 1361.4(1) Å3, and Z = 4. The crystal structure of tBAS can be described as a typical thick layered organization built by all the components of the structure and centered by planes z = 1/4 and 3/4. Connection in these layers are established by N—H···O hydrogen bonds. Thermal analysis shows a reversible weak phase transition.
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  • 58
    ISSN: 1572-8854
    Keywords: copper ; bis(benzimidazoles) ; crystal structure ; infrared
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The structure of a mononuclear copper(II) compound with the ligand bis(2-benzimidazolyl)propane (abbreviated as tbz) is reported. The compound [Cu(tbz)2](CF3SO3)2(H2O) crystallizes in the triclinic space group P $$\bar 1$$ , with a = 12.363(6), b = 13.218(9), c = 15.365(8) Å, α = 82.74(5), β = 68.04(4), γ = 65.30(5), and Z = 2. The Cu(II) atom has a geometry intermediate between tetrahedral and square planar, consisting of four nitrogen atoms of two tbz ligands. The Cu—N—Cu angles are about 135°, while the dihedral angle between them amounts to 62° (0° for square planar and 90° for a tetrahedron). Ligand field bands are observed at 10.2 × 103, 13.8 × 103, and 20.3 × 103 cm−1, while the most characteristic infrared vibrations of the triflate anion are observed at 1273, 1260, 1238, 1221, 1171, and 1157 cm−1.
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  • 59
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    Journal of chemical crystallography 30 (2000), S. 95-98 
    ISSN: 1572-8854
    Keywords: organic sulfate ; crystal structure ; DTA/TG/DSC
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Chemical preparation, x-ray single crystal, and thermal analysis of C6H18N2SO4·H2O (denoted DMPS) are described. The compound crystallizes in the triclinic system with P $$\overline 1$$ space group. Its unit cell dimensions are a = 5.826(1) Å, b = 10.014(1) Å, c = 11.221(1) Å, α = 66.716(1)°, β = 84.395(1)°, γ = 83.759(1)°, V = 596.7(1) Å3, and Z = 2. The DMPS structure is built up from inorganic chains parallel to the a axis and linked via O(W)-H···O hydrogen bonds. These chains are interconnected by organic groups. Thermal analysis reveals the presence of one water molecule in the structure and shows a reversible weak phase transition.
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  • 60
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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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  • 61
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    Journal of chemical crystallography 30 (2000), S. 119-122 
    ISSN: 1572-8854
    Keywords: phthalic acid ; 2, 6-dimethylpyridine ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A new crystal of 2,6-dimethylpyridinium hydrogen phthalate (DPMHP) has been prepared and characterized by x-ray crystallography. DPMHP crystallizes in the monoclinic space group C2/c with a = 26.105(3), b = 8.2250(10), c = 13.8750(10) Å, β = 116.02(1)°, V = 2677.2(5) Å3, and Z = 8. The 2,6-dimethylpyridinium (DPM) is held with the hydrogen phthalate ion (HPI) by intermolecular hydrogen bond of N-H-O. A noncentered hydrogen atom is involved in the short intramolecular hydrogen of O-O [2.398(2) Å] between the neighboring carboxylic groups. The phenyl ring of the HPI appears to be deformed in comparison with the original. The entity of HPI in itself and DMPMHP as a whole are arranged in a rumple pattern. The geometrical arrangement in the crystal structure is characterized by the formation of laminar ribbons of DPMHP.
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  • 62
    ISSN: 1572-8854
    Keywords: α-halopyruvamide derivatives ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Two compounds have been prepared during the investigation of the reactivity of α-halopyruvamides. The reaction products: 3-(4-chlorophenyl)imidazo[1,2-a]pyridine-2-carboxamide (1) and 7-carbamoyl-5-phenyl-2,3-dihydro[1,3]thiazolo[4,3-b][1,3]thiazol-4-ium chloride (2) were structurally characterized by x-ray crystallography. Compound 1 crystallizes in the orthorhombic space group Pca21 with a = 28.813(2), b = 9.369(1), and c = 9.361(1) Å. The structure contains two crystallographically different molecules. Compound 2 crystallizes in the monoclinic space group P21/c with the following cell parameters: a = 8.5895(8), b = 22.499(2), c = 7.4133(6) Å, and β = 110.204(1)°.
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  • 63
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    Journal of chemical crystallography 30 (2000), S. 131-134 
    ISSN: 1572-8854
    Keywords: 1,2,4-Oxadiazole ; crystal structure ; phthalimide derivative ; AM1 method ; STO-3G basis set
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The synthesis, spectroscopic studies and crystal structure of the title compound is described. The crystallographic studies showed that the p-bromophenyl group is very nearly coplanar with the 1,2,4-oxadiazole ring. The nearly planar phthalimide group makes an angle of about 98° with the bromophenyloxadiazole plane. Semi-empirical (AM1) and ab initio (STO-3G, 6-31G) molecular orbital calculations have been carried out for this compound and a comparison of bond angles, bond lengths and torsion angles has been made with the experimental values, which are remarkably close to each other. This compound crystallizes in the monoclinic space group P21/c with a = 13.6299(2),b = 13.9836(2), c = 8.4817(2) Å, β = 101.9070(10)°, V = 1581.79(5) Å3, and Z = 4.
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  • 64
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    Journal of chemical crystallography 30 (2000), S. 135-138 
    ISSN: 1572-8854
    Keywords: alkaloid ; tazettine type ; amaryllidaceae ; crystal structure ; molecular mechanics
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract The crystal and molecular structure of augustamine (1), C17H19NO4 an amaryllidaceae alkaloid of the tazettine group has been determined by direct methods from single crystal x-ray diffractometer data and refined by full-matrix least squares. The alkaloid (1) crystallizes in the space group P212121, with cell parameters: a = 7.833(8) b = 11.08(2) å, c = 16.69(6) Å, Z = 4, Dc = 1.381 g/cm−3, R = 7.6% for 1115 observed reflections. The molecule, having a hexacyclic ring system, is very rigid with the ring B in a chair conformation. Molecular mechanics calculations have been made using MM3(2000) force field.
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  • 65
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    Journal of chemical crystallography 30 (2000), S. 159-162 
    ISSN: 1572-8854
    Keywords: crystal structure ; cobalt (II) complex ; one-dimensional chain ; hydrogen bond
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A one-dimensional chain complex, {[Co(bpm)2(N3)2][Co(bpm)2(H2O)2]} (ClO4)2, (bpm being bis(pyrazol-l-yl)methane), has been synthesized and characterized by X-ray diffraction: triclinic, space group P - 1 with a = 8.805(2) Å, b = 8.902(2) Å, c = 13.621(3) Å, α = 84.27(3)°, β = 84.63(3)°, γ = 80.05(3)°, V = 1043.2(4) Å3, Z = 1. Two cobalt atoms have ideal octahedral environments with different coordination atoms. One cobalt atom is six-coordinated with nitrogen atoms from two bpm ligands and two azide ligands, while the other cobalt atom is coordinated by four nitrogen atoms from bpm and two oxygen atoms from water molecules. The complex forms one-dimensional chain through hydrogen bonds.
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  • 66
    ISSN: 1572-8854
    Keywords: Synthesis ; crystal structure ; dioxouranium(VI) ; lanthanide(III) ; thiocyanate ; nitrate
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Reactions of tetra-n-butylammonium thiocyanate with lanthanide and uranyl nitrates yield complexes of the general type [(Bu)4N]x[M(NCS)y(NO3)z]. Samples of [(Bu)4N]2 [UO2(NCS)3( NO3)] (1), [(Bu)4N]3[Yb(NCS)4(NO3)2] (2), and [(Bu)4N]3[Nd(NCS)4(NO3)2rsqb; (3) were prepared from alcohol solutions. Crystallization of 1 occurs in the centrosymmetric monoclinic space group C2/c (No. 15) with a = 17.949(4) Å, b = 16.587(3) Å, c = 16.763(3) Å; β = 99.77(3)°; and Z = 4. The seven-coordinate uranium(VI) ion exhibits a pentagonal bipyramid coordination environment. Crystallization of 2 occurs in the centrosymmetric orthorhombic space group Pnnn (No. 48) with a = 12.530(2) Å, b = 12.9440(10) Å, c = 21.203(2) Å; Z = 2. The eight-coordinate ytterbium(III) ion expresses a dodecahedral coordination environment. Crystallization of 3 occurs in the noncentrosymmetric monoclinic space group Cc (No. 9) with a = 16.556(2) Å, b = 18.130(2) Å, c = 23.984(4) Å; Z = 4. The 10-coordinate neodymium(III) ion exhibits a dodecahedral coordination environment. Characterization includes physical property determinations, conoscopic studies, IR spectroscopic identifications, and UV spectral data. Details of the syntheses along with selected bond distances and angles are presented and discussed.
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  • 67
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    Journal of chemical crystallography 30 (2000), S. 329-333 
    ISSN: 1572-8854
    Keywords: Pervanadyl complex ; Schiff base ; di(μ-oxo)-bridged dimer ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract A di(μ-oxo)-bridged dinuclear complex, [VO2(pamh)]2 was isolated by reacting bis(acetylacetonato)vanadium(IV) and the Schiff base, N-(anisoyl)-N′-(picolinylidene)-hydrazine (Hpamh) in acetonitrile. The complex crystallizes in the space group $$P\bar 1 $$ ;1; (#2) on crystallographic inversion center. Crystal data: a = 8.2202(12) Å, b = 9.8389(19) Å, c = 10.1907(17) Å, α = 68.245(15)°, β = 74.47(2)°, γ = 66.710(19)°, V = 696.0(2) Å3, and Z = 1. The physical properties of the complex and the structural parameters are consistent with the +5 oxidation state of the metal ions. The monomeric VO2(pamh) unit is square-pyramidal. The planar mononegative ligand (pamh−) coordinates the metal ion via the pyridine-N, the imine-N, and the amide-O atoms. One of the oxo groups completes the NNOO basal plane and also participates in the Vndash;Ondash ;V bridge formation. The other oxo group satisfies the fifth apical coordination site. The molecular structure of the dimeric complex, [VO2(pamh)]2 can be described as two edge-shared distorted VO4N2 octahedra.
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  • 68
    ISSN: 1572-8854
    Keywords: Helical hydrogen-bridged one-dimensional Cu(II) complex ; trans-4-styrylpyridine ; crystal structure ; IR and electronic spectroscopy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Single crystals of the helical hydrogen-bridged one-dimensional Cu(II) complex, [Cu(stpy)2(CH3COO)2(H2O)2] (1) [Cu(stpy)2(CH3COO)2(H2O)] (2), are prepared and characterized by elemental and thermal analyses, IR, electronic and X-ray crystal structure determination. The crystals are monoclinic, of space group C2/c, with unit cell parameters a = 31.842(7) Å, b = 5.9829(10) Å, c = 30.970(14) Å, β = 111.78(3)°, Z = 4. The asymmetric unit contains two different types of Cu(II) polyhedra, namely, octahedron and square pyramid within the same unit cell. 1 has elongated octahedral geometry with two nitrogen atoms from stpy and two oxygen atoms from synmonodentate acetate ligands, transcoordinated to Cu(II) in the basal plane. The oxygen atoms of the two water molecules occupy the axial positions. 2 has Cu(II) coordination polyhedra similar to 1, except that only one of the apical positions is occupied by a water molecule. The structure consists of two independent linear chains, one involving octahedral (1) and the other involving square-pyramidal (2) polyhedra, held by hydrogen bridges. The Cu–Cu intra- and interchain separations in both 1 and 2 are 5.983 and 8.214 Å. The unit cell packing shows weak π-stacking between adjacent coordinated stpy ligands in the chain, resulting in ladder-type structure. Further, the extended packing reveals helical arrangement of Cu(II) polyhedra in the lattice.
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  • 69
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    Journal of chemical crystallography 30 (2000), S. 455-458 
    ISSN: 1572-8854
    Keywords: Ytterbium ; malonamide ; crystal structure ; extraction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract [Yb(L(NO3)2(H2O)2](NO3), L = bromo-N,N,N′,N′-tetraethylmalonamide crystallizes in the triclinic spacegroup P-1 with cell dimensions a = 9.030(9), b = 12.036(12), c = 12.392(13) Å, α = 84.52(1), β = 77.58(1), γ = 67.21(1)° , dcalc = 1.935 g cm-3 for Z = 2. The ytterbium atom in the complex cation is nine-coordinate being bonded to two oxygen atoms from the malonamide ligand, two nitrate anions, and three water molecules.
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  • 70
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    Journal of chemical crystallography 30 (2000), S. 563-571 
    ISSN: 1572-8854
    Keywords: Maleimide ; crystal structure ; photopolymerization ; monomer ; conformation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Geosciences , Physics
    Notes: Abstract Nine phenyl substituted N-phenylmaleimide monomers for photopolymerization studies have been characterized by x-ray crystallography. Structures for N-(2′-t-butylphenyl)maleimide (1), P21/n, a = 10.197(3) Å, b = 11.904(4) Å, c = 10.496(5) Å, β = 100.61(3)° N-(2′-trifluoromethylphenyl)maleimide (2), P21/c, a = 11.763(8) Å, b = 10.699(9) Å, c = 8.284(5) Å, β = 90.02(5)° N-(2′,6′-diisopropylphenyl)maleimide hemibenzene solvate (3), Pc, a = 16.747(6) Å, b = 8.552(3) Å, c = 12.899(4) Å, β = 105.08(3)° N-(2′,6′-diisopropylphenyl) maleimide (unsolvated) (4), C2/c, a = 28.146(10) Å, b = 8.434(4) Å, c = 12.881(4) Å, β = 92.20(4)° N-(2′-bromo-3′,5′-bis(trifluoromethyl)phenyl) maleimide (5), P21/n, a = 8.7115(16) Å, b = 16.125(3) Å, c = 9.6707(19) Å, β = 99.757(15)° N-(2′-phenylphenyl)maleimide (6), P21/n, a = 8.519(4) Å, b = 13.742(5) Å, c = 11.147(4) Å, β = 92.25(3)° N-(4′-methoxyphenyl)maleimide (7), P21/n, a = 9.320(3) Å, b = 6.621(2) Å, c = 16.059(6) Å, β = 99.58(3)° N-(2′-trifluoromethylphenyl)-2-methylmaleimide (8), Fdd2, a = 43.362(12) Å, b = 8.202(2) Å, c = 12.720(4) Å and N-(2′-trifluoromethylphenyl)-2-methanosuccinimide (9), Cc, a = 7.708(2) Å, b = 22.191(9) Å, c = 7.137(2) Å, β = 115.76(2)° are described. Molecules with bulky 2′-substituents show larger rotations between the mean phenyl and maleimide ring planes, and varying degrees of distortion to the imide group.
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  • 71
    ISSN: 1572-8781
    Keywords: porous silicon ; cis-platin ; drug delivery ; calcium phosphate ; carbo-platin
    Source: Springer Online Journal Archives 1860-2000
    Topics: Medicine , Technology
    Notes: Abstract In this work, the incorporation and characterization of cis-platin (cis-diammine dichloroplatinum(II)), carbo-platin [cis-diammine(cyclobutane-1,1-dicarboxylato] platinum(II)), and Pt(en)Cl2 (ethylenediamminedichloro platinum(II)) within layers of calcium phosphate on porous Si/Si substrates are described. These materials have been characterized by scanning electron microscopy, secondary ion mass spectrometry, and X-ray energy dispersive spectroscopy. The diffusion of platinum species from the doped calcium phosphate layers has also been investigated by UV-visible absorption spectrometry and inductively-coupled plasma spectroscopy. The influence of initial platinum concentration, the impact of thermal annealing of the calcium phosphate/porous Si/Si matrix, as well as the effect of varying the ligand coordination sphere of the Pt complex on its ability to be delivered to the surroundings have also been analyzed. For the case of cis-platin, it is found that increasing the concentration of platinum complex in the electrolyte during cathodic growth of calcium phosphate results in a relatively greater concentration of Pt incorporated into the calcium phosphate layers and a larger amount of Pt which subsequently can be delivered to the surrounding medium upon exposure to solvent.
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  • 72
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    Small business economics 14 (2000), S. 195-210 
    ISSN: 1573-0913
    Keywords: growth ; manufacturing ; performance ; product innovation ; small firms
    Source: Springer Online Journal Archives 1860-2000
    Topics: Economics
    Notes: Abstract The paper considers the relative performance [along a number of parameters] of a sample of 228 small manufacturing firms categorised by level of innovation. Whilst innovators appear no more likely to have experienced some form of sales or employment growth, they are significantly more likely to have grown more. In other words, the innovators' growth rate distributions are highly negatively skewed. With regards to export intensities, profitability and productivity levels, the findings are less clear. On the whole, the results reported here are similar to those of other small firm studies, yet vary markedly from large firm equivalents; suggesting that the nature of the returns to innovation may be contingent, at least in part, upon firm size. Moreover, the high levels of variation in firm performance should caution us against proffering innovative imperatives. If we are to counsel firms to "innovate at all costs", we must be clear about, and clearly demonstrate, the nature of the returns they may reasonably expect and the processes through which these may be optimised.
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  • 73
    ISSN: 1572-9605
    Keywords: superconductivity ; Hg-based cuprate ; Hg-1212 (Hg,Mo)Sr2(Ca,R)Cu2O z ; neutron diffraction ; crystal structure
    Source: Springer Online Journal Archives 1860-2000
    Topics: Electrical Engineering, Measurement and Control Technology , Physics
    Notes: Abstract Two series of Hg-based oxides (Hg0.7Mo0.3)Sr2(Ca1−x R x )Cu2O z (R = Nd and Pr, 0.2 ≤ x ≤ 0.7) have been synthesized. Electrical-resistivity measurements show that these compounds are superconductors with maximum onset T c of 107 and 102 K for Nd- and Pr-containing samples, respectively. The neutron powder diffraction experiments on both as-prepared and O2-annealed samples of R = Nd revealed that the O(3) site at the HgOδ sheets are fully occupied and shifted towards the Hg/Mo site to form Mo–O bonds.
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  • 74
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    Journal of population economics 13 (2000), S. 403-424 
    ISSN: 1432-1475
    Keywords: JEL classification: O41 ; F22 ; Key words: Altruism ; education ; growth ; convergence ; capital mobility
    Source: Springer Online Journal Archives 1860-2000
    Topics: Sociology , Economics
    Notes: Abstract. The aim of this paper is to discuss the process of regional convergence within the framework of an overlapping generations model in which the engine of growth is the accumulation of human capital. In particular, we consider different education funding systems and compare their performance in terms of growth rates and pace of convergence between two heterogeneous regions. The analysis suggests that the choice of a particular education system incorporates a possible trade-off between long run growth rate and short run convergence. In such choice, the initial capital stock and the extent of regional human capital discrepancy appear as central variables.
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  • 75
    ISSN: 1570-0267
    Keywords: cDNA ; PCR cDNA ; TaqMan Analysis ; gene expression ; Pearson's correlation
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: Abstract Comparative gene expression studies are often limited by low availability of tissue and poor quality of extractable mRNA. Collective PCR amplification of minute quantities of mRNA has great potential for overcoming these limitations. However, there remains significant concern about the effects of amplification on the absolute and relative abundance of individual mRNAs that could complicate subsequent gene expression studies. To address this problem, we systematically compared the relative abundance of many specific mRNAs from complex cDNA preparations (from tissue and cultured cells) both before and after amplification by PCR. Our results demonstrated that, as expected, the absolute abundance of different mRNAs in a cDNA library is altered in an unpredictable manner by PCR amplification. However, we found that the concentration ratios of specific mRNAs among different cDNA preparations were routinely well conserved after PCR amplification. Thus, for the purpose of comparative expression studies for specific mRNAs in two (or more) complex cDNAs, PCR-amplified cDNA is equally useful as unamplified cDNA. These results provide a rigorous experimental validation and offer a theoretical treatment to support the utility of PCR amplified cDNA for differential gene expression studies. We conclude that the inherent difficulties in performing differential screening studies such as gene chip and array analyses on limited amounts of biological materials can be overcome by a PCR amplification step without compromising data quality.
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  • 76
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    Ecological research 15 (2000), S. 101-106 
    ISSN: 1440-1703
    Keywords: comparative ecology ; growth ; marine fish ; patterns ; reproduction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology
    Notes: A number of strong regularities characterize certain very basic biological parameters in marine fishes. For example, the ovulated eggs of fish usually measure approximately 1 mm in diameter. The small, relatively uniform size of the eggs means that almost all fish larvae experience environmental variability at very similar scales, which itself establishes strong constraints for, and links between reproduction and recruitment. Additional constraints emerge from seawater being a poor medium for respiration, which establishes further linkages between growth and mortality. These constraints have produced strongly convergent features, and thence the patterns in reproduction and growth of marine fishes that are presented.
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  • 77
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    Journal of thermal analysis and calorimetry 60 (2000), S. 595-604 
    ISSN: 1572-8943
    Keywords: crystal structure ; DSC ; oxides ; X-ray diffraction
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The formation of TiO2 prepared by hydrolysis method was presented. Thermodynamics and kinetics of anatase crystallization reaction were investigated. Differential method of kinetic data evaluation in non-isothermal conditions according toKissinger, Ozawa and Kazeev-Yerofeev was applied. Starting, crystallized and thermally treated powders were determined using X-ray powder diffraction analysis. The characteristic parameters (the activation energy, constant rate and formal kinetic order of reaction) of TiO2 formation were calculated using DSC data.
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  • 78
    ISSN: 1573-143X
    Keywords: body composition ; catfish (Mystus nemurus) ; feeding rate ; growth
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract A 10 week experiment was conducted to determine theeffects of feeding rate on growth, feed utilizationand body composition of the tropical bagrid catfish,Mystus nemurus. Catfish fingerlings with anaverage initial body weight of 12 g were fed apractical diet (36.2% protein, 16.5 kJ/g diet) atrates of 1, 2, 2.5, 3, 3.5, 4 or 5% of their bodyweight (BW) per day in two equal meals. Watertemperature was approximately 29 °C throughoutthe experiment. Percent weight gain increased almostlinearly with increasing feeding rates up to 2.5%BW/day beyond which no significant (P 〉 0.05)improvement in weight gain was observed. The specificgrowth rate of catfish fed rations of 1% BW/day was0.72%/day and this increased significantly to anaverage of 1.39%/day for catfish fed 2.5% BW/day andbeyond. Feed utilization did not differ significantly(P 〉 0.05) between fish fed 1.0 to 2.5%BW/day but decreased when rations were increased to3.0% BW/day and above. Feed efficiency ratio was0.79 for catfish fed 1.0% BW/day compared to a ratioof 0.27 for fish fed at 5% BW/day. Catfish fed 1.0%BW/day had the lowest condition factor, hepato- andviscerosomatic indices, but the highest carcass tobody weight ratio. These fish also had lowerproportions of whole body dry matter, lipid andprotein, carcass dry matter and lipid, and visceraldry matter and lipid than fish in other groups. Therewere no significant differences in either conditionindices or relative body composition of fish fedrations of 2.0 to 5.0% BW/day. Based on the growth,feed efficiency and body composition data obtained, afeeding rate of 2.5% BW per day is recommended forM. nemurus fingerlings raised at 29 °C.
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  • 79
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    Aquaculture international 8 (2000), S. 531-542 
    ISSN: 1573-143X
    Keywords: feed intake ; growth ; protein utilisation ; proximate ; composition ; rainbow trout (Oncorhynchus mykiss)
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Rainbow trout Oncorhynchus mykiss grew from 44 to 326 g in 96days when held at ∼12 °C. Fish were fed to satiation twice dailywith either high (L1: 30.8%, L2:31.4%) or lower-lipid feeds (C1: 18.8%,C2: 21.8%). Four feeding treatments were studied.Group C1C2 received feed C1 for 43 days(days 0–43) and C2 thereafter (days 44–96).Groups L1L2, L1C2 andC1L2 were subjected to dietary changes asindicated by the feed designations. After a short period of feedadaptation, fish ingested similar amounts of feed energy i.e., they ateless by weight of the lipid-rich (L) feeds. Feed lipid content did notaffect growth but fish fed L-feed had reduced feed conversion ratio(FCR) compared to fish fed C-feed (0.731 vs. 0.773) during days0–43 (P 〈 0.01). After 96 days,L1L2-fish were lower in body protein(15.8%) than the C1C2-fish (16.8%)(P 〈 0.01). L-feeds also tended to increase percentage lipidand reduce percentage whole body moisture and ash. A higher net proteinutilisation (NPU) was recorded in fish fed L-feeds (43.6%)compared to fish fed C-feeds (38.8%) in days 0–43(P 〈 0.05). This seemed to be the result of a lower proteinintake rather than a protein-sparing effect of feed lipid. Above athreshold value of approximately 6.5 mg protein eaten·g bodywtminus 1·day−1, NPU decreased.
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  • 80
    ISSN: 1573-143X
    Keywords: aggression ; Atlantic salmon (Salmo salar) ; dominance ; growth
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Abstract Aggression in groups of 0+ Atlantic salmon (Salmo salar) was monitoredat weekly intervals in two tanks containing 100 fish each. Three 1 + salmonparr were added to one of these. After 5 weeks, fish weights were measuredin both tanks and the conditions reversed. At ten weeks, weights of fish inboth tanks were measured again. In both populations, levels of aggressionamong the smaller fish were significantly lower and growth ratessignificantly higher when the large fish were present. Although the largefish attacked the small ones, the rate at which they did so was an order ofmagnitude lower that the rate at which small fish attacked each other in theabsence of larger conspecifics. This raises the possibility that levels ofaggression among farmed salmon might be reduced by the addition of a fewlarge conspecifics.
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  • 81
    ISSN: 1573-4919
    Keywords: myosin heavy chain ; gene expression ; hypertrophy ; dexamethasone ; promoter function
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Cardiac hypertrophy has been observed in newborn infants treated with dexamethasone (DEX). This study was undertaken to examine whether DEX-induced hypertrophy in newborn rats is associated with redistribution of cardiac myosin heavy chain (MHC) isoforms and if so, the effects involve transcriptional regulation. Newborn rats were injected with either DEX (1 mg/kg/day; s.c.) or equivalent volume normal saline for 1, 3, 5, 7 or 9 days. Hypertrophy was quantified by heart dry/wet wt ratios, heart/body wt ratios, and total protein content of the myocardium. Changes in the expression of cardiac MHC mRNA were characterized by northern blot and slot blot analyses, using isoform specific probes for a- and β-MHC genes. DEX effect on α-MHC gene transcription was analyzed by transiently transfecting various α-MHC promoter/CAT reporter constructs into primary cultures of cardiac myocytes derived from one day old rat pups. DEX administration into newborn rats produced significant cardiac hypertrophy ranging from 23% at day 1 to 59% at 9 days. The hypertrophy was accompanied by immediate increase (83%) in steady state level of the α-MHC mRNA within one day and a maximum increase (148%) at 7 days of treatment. The steady state level of β-MHC mRNA declined by 25% at day 1 and a maximum decrease of 54% at day 7 of DEX treatment. The changes in MHC mRNA were also reflected in their protein levels as determined by V1 and V3 isozyme analysis. DEX treatment of primary cultures of cardiomyocytes following transfection with a-MHC promoter/CAT reporter constructs resulted in increased CAT expression in a dose dependent manner. The minimum α-MHC gene sequences responding to DEX treatment were located between the -200 to -74-bp region of the gene, resulting in 2-fold and 6-fold activation of CAT reporter after 0.05 and 0.1 mM doses of DEX, respectively. Our data indicate that DEX induced cardiac hypertrophy in newborn rats is accompanied by increased expression of α-MHC and decreased expression of β-MHC. The α-MHC effects are mediated in part through transcriptional mechanisms.
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    Molecular and cellular biochemistry 212 (2000), S. 5-9 
    ISSN: 1573-4919
    Keywords: transcriptional regulation ; gene expression ; coactivator ; repressor
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract The CREB-CREM transcription factors are the main gene regulatory effectors of the cAMP signaling pathway. The investigations of this family of transcription factors had a profound impact on the understanding of signaling-induced gene transcription. Here we discuss some key aspects of the underlying biology, review transcriptional activation by CREB proteins through transcription cofactors and present novel insights into the context- and position-specific function of CREB on complex genes.
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  • 83
    ISSN: 1573-4919
    Keywords: AP-1 ; cobalt chloride ; gene expression ; heme oxygenase ; oxidative stress ; sodium arsenite
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Previously, chick heme oxygenase-1 (cHO-1) gene was cloned by us and two regions important for induction by sodium arsenite were identified. These two regions were found to contain consensus sequences of an AP-1 (-1580 to -1573) and a MRE/cMyc complex (-52 to -41). In the current study, the roles of these two elements in mediating the sodium arsenite or cobalt chloride dependent induction of cHO-1 were investigated further. DNA binding studies and site-directed mutagenesis studies indicated that both the AP-1 and MRE/cMyc elements are important for the sodium arsenite induction, while cobalt chloride induction involves only the AP-1 element. Electrophoretic mobility shift assays showed that nuclear proteins binding to the AP-1 element was increased by both sodium arsenite or cobalt chloride treatment, whereas the binding of proteins to the MRE/cMyc element showed a high basal expression in untreated cells and the binding activity was only slightly increased by sodium arsenite treatment. Site-directed mutagenesis studies showed that, to completely abolish sodium arsenite induction, both the AP-1 and MRE/cMyc elements must be mutated; mutation of either element alone resulted in only a partial effect. In contrast, a single mutation at AP-1 element was sufficient to reduce the cobalt chloride induction almost completely. The MRE/cMyc complex plays a major role in the basal level expression, and shares some similarities to the upstream stimulatory factor element (USF) identified in the promoter regions of mammalian HO-1 genes and other stress regulated genes. Because sodium arsenite is known to cause oxidative stress and because activation of AP-1 proteins has been shown to be a key step in the oxidative stress response pathway, we also explored the possibility that the induction of the cHO-1 gene by sodium arsenite is mediated through oxidative stress pathway(s) by activation of AP-1 proteins. We found that pretreatment with antioxidants (N-acetyl cysteine or quercetin) reduced the induction of the endogenous cHO-1 message or cHO-1 reporter construct activities induced by sodium arsenite or cobalt chloride. These antioxidants also reduced the protein binding activities to the AP-1 element in the electrophoretic mobility shift assays. In summary, induction of the cHO-1 gene by sodium arsenite or cobalt chloride is mediated by activation of the AP-1 element located at -1,573 to -1,580 of the 5′ UTR.
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    Molecular and cellular biochemistry 205 (2000), S. 1-11 
    ISSN: 1573-4919
    Keywords: kidney ; ischemia-reperfusion injury ; free radicals ; reactive oxygen species ; gene expression ; antioxidant enzymes
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Reactive oxygen species (ROS; O2-, H2O2, and OH·), normal by-products of cellular metabolic processes, are kept in control by antioxidant enzymes, such as catalase, glutathione peroxidase (GPX) and superoxide dismutases (SODs). To understand the role of antioxidant enzymatic defenses against ROS injury following ischemia-reperfusion, we examined the effect on kidney exposed to varying periods (30, 60 or 90 min) of ischemia followed by different periods of reperfusion. The enzymatic activities and protein levels of catalase, GPX, CuZnSOD and MnSOD were relatively unaffected at 30 min of ischemia followed by 0, 2 or 24 h reperfusion. However, 60 or 90 min of ischemia followed by 0, 2 or 24 h of reperfusion resulted in a decrease in activities and protein levels which paralleled the duration of ischemic injury. MnSOD activity tended to recover towards normal during reperfusion. Examination of the mRNA levels of these antioxidant enzymes demonstrated a severe decrease in mRNA levels of catalase and GPX at a time point of minimal ischemic injury (30 min of ischemia followed by reperfusion) suggesting that loss of mRNA of catalase and GPX may be the first markers of alterations in cellular redox in ischemia-reperfusion injury. Greater loss of mRNA for catalase, GPX and CuZnSOD were observed following longer periods (60 or 90 min) of ischemia. The mRNA for MnSOD was upregulated at all time points of ischemia-reperfusion injury. Actually, the greater decrease in mRNAs for catalase, GPX and CuZnSOD in the acute phase (within 24 h) subsequently showed a further decrease in these enzyme activities in the subacute phase (72 or 120 h after ischemia). These enzyme activities in the 30 min ischemia group, but not in the 90 min group, already showed tendencies for normalization at 120 h after ischemia. To understand the molecular basis of the loss of mRNA of these antioxidant enzymes during ischemia-reperfusion injury, we examined the rate of transcription by nuclear run-on assays. The similar rates of transcription in control and kidney exposed to ischemia-reperfusion indicates that the loss of mRNA for catalase, GPX and CuZnSOD are possibly due to the increased rate of turnover of their mRNAs. These studies suggest that expression of antioxidant genes during ischemia-reperfusion are not coordinately expressed and the differential loss of antioxidant enzymes may be the contributing factor(s) towards the heterogeneous renal tissue damage as a result of ischemia-reperfusion induced oxidative stress.
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  • 85
    ISSN: 1573-4919
    Keywords: prostaglandin ; cyclooxygenase ; transcriptional regulation ; gene expression ; promotor activation ; transcription ; endothelial cells
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Interleukin-1β (IL-1) is a potent inducer of cyclooxygenase-2 (COX-2) and prostaglandin biosynthesis in many types of cells, yet little is known about the molecular mechanisms regulating IL-1 mediated prostanoid biosynthesis in the endothelium of the microvasculature. Therefore, we examined the cis- and trans-acting factors regulating IL-1-induced COX-2 expression in the human microvascular endothelial cell line, HMEC-1. IL-1 enhanced steady state levels of COX-2 protein and mRNA synthesis by ≈ 2-fold which preceded a 2-fold increase in PGFα biosynthesis. Expression of a series of COX-2 promoter-luciferase constructs in IL-1 treated HMEC-1 cells revealed that the 'full length' (-1432/+59 bp) promoter was 10 times more active than the SV-40 promoter/enhancer and that it could be further activated by IL-1. Surprisingly however, all except for the shortest COX-2 promoter construct retained the ability to respond to IL-1 and luciferase activity driven by -191/+59 bp COX-2 promoter was as responsive to IL-1 as the full-length promoter. Moreover, site-directed promoter mutagenesis and electophoretic mobility shift assays (EMSA) indicate that the combinatorial actions of AP2, NF-IL6, and CRE elements are critical for both constitutive and IL-1-inducible COX-2 promoter activity. Understanding the mechanism(s) regulating COX-2 gene expression and prostaglandin biosynthesis in the microvasculature has important implications with regard to inflammation and angiogenesis in vivo.
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    Molecular and cellular biochemistry 203 (2000), S. 163-167 
    ISSN: 1573-4919
    Keywords: thymosin β-4 ; gene expression ; chloramphenicol acetyltransferase ; NIH3T3 cells ; interferon response
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Expression of the gene coding for thymosin β-4 (Tβ-4), the major G-actin sequestering peptide in the cell, is regulated mainly at the level of transcription. In this study, we examined the nucleotide sequence of the 5′-flanking region (from - 2202 to - 881) of the mouse Tβ-4 gene, and demonstrated that the DNA fragment from -278 to +410 of this gene was capable of directing the expression of a chloramphenicol acetyltransferase reporter gene in NIH3T3 cells. However, expression of the reporter gene in cells cannot be induced by interferon-a treatment even though a rapid activation of endogenous Tβ-4 gene by this cytokine was observed. These results suggest that the projected interferon-stimulated response element (ISRE) might reside in other parts of the mouse Tβ-4 gene.
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    Molecular and cellular biochemistry 211 (2000), S. 103-110 
    ISSN: 1573-4919
    Keywords: thioacetamide ; glutathione-S-transferase ; rat liver ; transcription ; gene expression
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract The effect of thioacetamide (TA), an hepatotoxic and hepatocarcinogenic compound, on the expression and activity of the cytosolic enzyme glutathione-S-transferase (GST) was studied in rat liver. Four h following the administration of 14C-labeled thioacetamide (10 mg/Kg), several subunits of GST were found to be radioactively labeled. A single sublethal dose of TA (250 mg/Kg) decreased by three-fold the expression of classα GST at 24-48 h of treatment, but did not significantly affect the transcription of class μ GST. The activity of the enzyme toward 1-chloro-2,4-dinitrobenzene was mildly inhibited (66% of the control) by a 24 h TA treatment and gradually increased thereafter. It is proposed that the covalent binding of TA or its derivative to the GST subunits does not affect the activity of the enzyme. Nevertheless, GST activity inhibition is due to the deleterious effect of TA on GST transcription.
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  • 88
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    Journal of chemical ecology 26 (2000), S. 2015-2023 
    ISSN: 1573-1561
    Keywords: Allelopathy ; growth ; phenolics ; Hebeloma ; Hymenoscyphus ; Picea abies ; Vaccinium myrtillus
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology
    Notes: Abstract Allelopathy due to humus phenolics is a cause of natural regeneration deficiency in subalpine Norway spruce (Picea abies) forests. If inhibition of spruce germination and seedling growth due to allelochemicals is generally accepted, in contrast there is a lack of knowledge about phenolic effects on mycorrhizal fungi. Thus, this work tested effects of a humic solution and its naturally occurring phenolics on the growth and respiration of two mycorrhizal fungi: Hymenoscyphus ericae (symbiont of Vaccinium myrtillus, the main allelochemical-producing plant) and Hebeloma crustuliniforme (symbiont of P. abies, the target plant). Growth and respiration of H. crustuliniforme were inhibited by growth medium with the original humic solution (−6% and −30%), respectively, whereas the same humic solution did not affect growth but decreased respiration of H. ericae (−55%). When naturally occurring phenolics (same chemicals and concentrations in the original humic solution) were added to the growth medium, growth of H. crustuliniforme was not affected, whereas that of H. ericae significantly increased (+10%). We conclude that H. ericae is better adapted to the allelopathic constraints of this forest soil than H. crustuliniforme and that the dominance of V. myrtillus among understory species could be explained in this way.
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    Molecular and cellular biochemistry 209 (2000), S. 125-129 
    ISSN: 1573-4919
    Keywords: apolipoprotein E ; apolipoprotein A-I ; gene expression ; transgenic mouse
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract The levels of plasma apolipoprotein (apo) E, an anti-atherogenic protein involved in mammalian cholesterol transport, were found to be 2-3 fold lower in mice over-expressing human apoA-I gene. ApoE is mainly associated with VLDL and HDL-size particles, but in mice the majority of the apoE is associated with the HDL particles. Over-expression of the human apoA-I in mice increases the levels of human apoA-I-rich HDL particles by displacing mouse apoA-I from HDL. This results in lowering of plasma levels of mouse apoA-I. Since plasma levels of apoE also decreased in the apoA-I transgenic mice, the mechanism of apoE lowering was investigated. Although plasma levels of apoE decreased by 2-3 fold, apoB levels remained unchanged. As expected, the plasma levels of human apoA-I were almost 5-fold higher in the apoAI-Tg mice compared to mouse apoA-I in WT mice. If the over-expression of human apoA-I caused displacement of apoE from the HDL, the levels of hepatic apoE mRNA should remain the same in WT and the apoAI-Tg mice. However, the measurements of apoE mRNA in the liver showed 3-fold decreases of apoE mRNA in apoAI-Tg mice as compared to WT mice, suggesting that the decreased apoE mRNA expression, but not the displacement of the apoE from HDL, resulted in the lowering of plasma apoE in apoAI-Tg mice. As expected, the levels of hepatic apoA-I mRNA (transgene) were 5-fold higher in the apoAI-Tg mice. ApoE synthesis measured in hepatocytes also showed lower synthesis of apoE in the apoAI-Tg mice. These studies suggest that the integration of human apoA-I transgene in mouse genome occurred at a site that affected apoE gene expression. Identification of this locus may provide further understanding of the apoE gene expression.
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    Molecular and cellular biochemistry 212 (2000), S. 29-34 
    ISSN: 1573-4919
    Keywords: cAMP ; transcription factor-decoy oligonucleotides ; CRE ; Ap-1 ; p53 ; tumor growth ; gene expression
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Nucleic acid molecules with high affinities for a target transcription factor can be introduced into cells as decoy cis-elements to bind these factors and alter gene expression. This review discusses a synthetic single-stranded palindromic oligonucleotide, which self-hybridizes to form a duplex/hairpin and competes with cAMP response element (CRE) enhancers for binding transcription factors. This oligonucleotide inhibits CRE- and Ap-1-directed gene transcription and promotes growth inhibition in vitro and in vivo in a broad spectrum of cancer cells, without adversely affecting normal cell growth. Evidence presented here suggests that the CRE-decoy oligonucleotide can provide a powerful new means of combating cancers, viral diseases, and other pathological conditions by regulating the expression of cAMP-responsive genes.
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    Molecular and cellular biochemistry 212 (2000), S. 73-79 
    ISSN: 1573-4919
    Keywords: adrenergic receptors ; renin-angiotensin system (RAS) ; gene expression ; kidney
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract To investigate the molecular mechanism(s) of action of catecholamines on the expression of the angiotensinogen (ANG) gene in kidney proximal tubular cells, we used opossum kidney (OK) cells with a fusion gene containing the 5′-flanking regulatory sequence of the rat ANG gene fused with a human growth hormone (hGH) gene as a reporter, pOGH (rANG N-1498/+18), permanently integrated into their genomes. The level of expression of the ANG-GH fusion gene was quantified by the amount of immunoreactive-hGH (IR-hGH) secreted into the medium. The addition of norepinephrine (NE), isoproterenol (a β1/β2-adrenergic receptor (AR) agonist) and iodoclonidine (an α2-AR agonist) stimulated the expression of the ANG-GH fusion gene in a dose-dependent manner, whereas the addition of epinephrine and phenylephrine (α1-AR agonist) had no effect. The stimulatory effect of NE was blocked by the presence of propranolol (β-AR blocker), atenolol (β1-AR blocker), yohimbine (α2-AR blocker), Rp-cAMP (an inhibitor of cAMP-dependent protein kinase AI & AII) and staurosporine (an inhibitor of protein kinase C), but was not blocked by ICI 118, 551 (β2-AR blocker) and prazosin (α1-AR blocker). The addition of a combination of isoproterenol and iodoclonidine or a combination of 8-Bromo-cAMP (8-Br-cAMP) and phorbol 12-myristate (PMA) synergistically stimulated the expression of the ANG-GH fusion gene as compared to the addition of isoproterenol, iodoclonidine, 8-Br-cAMP or PMA alone. Furthermore, the addition of NE, 8-Br-cAMP or PMA stimulated the expression of pOGH (rANG N-806/-779/-53/+18), a fusion gene containing the putative cAMP responsive element (CRE, ANG N-806/-779) upstream of the ANG promoter (ANG N-53/+18) in OK cells, but had no effect on the expression of fusion genes containing the mutant of the CRE. Gel mobility shift assays revealed that the ANG-CRE binds with the DNA-binding domain (bZIP 254-327) of the cAMP-responsive binding protein (CREB). The binding of the labeled ANG-CRE to CREB (bZIP254-327) was displaced by unlabeled ANG-CRE and the CRE of the somatostatin gene but not by the mutants of the ANG-CRE. Finally, NE stimulated the phosphorylation of CREB in OK cells. These studies demonstrate that the molecular mechanism(s) of NE action on the expression of the ANG gene in OK cells may be mediated via both the PKA and PKC signalling pathways and via the phosphorylation of CREB. The phosphorylated CREB then interacts with the CRE in the 5′-flanking region of the ANG gene and subsequently stimulates the gene expression.
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  • 92
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    Molecular and cellular biochemistry 212 (2000), S. 135-142 
    ISSN: 1573-4919
    Keywords: gene expression ; catecholamines ; angiotensin II ; heart failure ; myosin ; hypertension ; eprosartan
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Pressure overload of the heart is associated with a perturbed gene expression of the cardiomyocyte leading to an impaired pump function. The ensuing neuro-endocrine activation results in disordered influences of angiotensin II and catecholamines on gene expression. To assess whether angiotensin II type 1 receptor inhibition can also counteract a raised sympathetic nervous system activity, spontaneously hypertensive rats fed a hypercaloric diet were treated with eprosartan (daily 90 mg/kg body wt) and cardiovascular parameters were monitored with implanted radiotelemetry pressure transducers. Both, blood pressure and heart rate were increased (p 〈 0.05) by the hypercaloric diet. Although eprosartan reduced (p 〈 0.05) the raised systolic and diastolic blood pressure, the diet-induced rise in heart rate was blunted only partially. In addition to drugs interfering with the enhanced catecholamine influence, compounds should be considered that selectively affect cardiomyocyte gene expression via 'metabolic' signals.
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  • 93
    ISSN: 1573-4919
    Keywords: angiotensin II ; SHR ; preglomerular arterioles ; G-proteins ; cAMP ; hypertension
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Altered regulation of cAMP may contribute to enhanced renal reactivity to angiotensin II (Ang II) in spontaneously hypertensive rats (SHR). Such a phenomenon may occur in renal preglomerular arterioles and may involve changes in expression of GTP-binding regulatory proteins. We have examined the effects of Ang II on steady state levels of Gαi-1,2, Gαi-3 Gαs and Gαq in preglomerular arterioles from young marginally hypertensive SHR and on mean arterial pressure (MAP), renal vascular resistance (RVR) and renal cAMP excretion (UcAMP.V). Young (5-6 week old) SHR and Wistar Kyoto (WKY) rats received Ang II (35 ng/kg/min, s.c.) or vehicle for 7 days via osmotic minipumps. Urine was collected over the last 24 h. On day seven, MAP and renal blood flow were measured in anesthetized rats and RVR was determined. Preglomerular arterioles were isolated by perfusing the kidneys with iron oxide and using a series of mechanical steps coupled with the use of a magnet to retain iron-laden vessels. Membranes were prepared and the expressions of Gαi-1,2, Gαi-3, Gαs and Gαq were evaluated by Western immunoblotting. Baseline MAP (124 ± 6 mmHg) was only marginally (p 〉 0.05) higher in SHR when compared with WKY rats (110 ± 4 mmHg). RBF (3.04 ± 0.16 mL/min) was significantly lower and RVR (41.10 ± 1.37 mmHg.min/mL) was significantly higher in SHR when compared to age-matched WKY rats (4.36 ± 0.30 mL/min and 25.79 ± 1.58 mmHg.min/mL, respectively). Ang II significantly increased MAP in SHR (17 mmHg) but not in WKY rats. These increases in MAP were accompanied by significant increases in RVR in SHR (48% over control) but not in WKY rats. Compared to WKY rats, preglomerular arterioles from SHR exhibited significantly higher basal expression of Gαi-1,2 (11- fold), Gαi-3 (13-fold) and Gαs (3-fold). Chronic infusion of Ang II, however, downregulated the expression of Gαs (by 53%; p 〈 0.05), Gαi-1,2 ( by 72%; p 〈 0.05) and Gαi-3 (by 35%; p 〉 0.05) in SHR preglomerular arterioles but significantly upregulated the expression of these proteins in WKY by 3-, 8- and 15-fold, respectively. Basal levels of Gαq were not different in preglomerular arterioles from the two strains but were downregulated by Ang II in both WKY (74% of basal) and SHR (52% of control). Baseline UcAMP.V was significantly lower in SHR (31.22 ± 6.51 nmol/24 h) compared with WKY rats (65.33 ± 3.60 nmol/24 h). Chronic Ang II infusion significantly increased UcAMP.V in SHR as well as WKY rats. These data clearly demonstrate that expressions of Gi isoforms as well as Gs in renal microvessels are elevated during early stages of hypertension and suggest that the elevated levels of Gi proteins may be directly associated with a blunted adenylyl cyclase-cAMP cascade in the renal microvasculature. Furthermore, Ang II appears to directly downregulate the expression of Gs in young SHR but not in young WKY renal microvessels. Such diversity in its effect on G-protein expression may be important for enhanced renal sensitivity to Ang II in SHR.
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  • 94
    ISSN: 1573-4919
    Keywords: angiotensinogen ; fibronectin ; gene expression ; transcriptional regulation ; cardiomyocytes ; vascular smooth muscle cells
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Angiotensinogen (AGT) is a unique substrate of the renin-angiotensin system and fibronectin (FN) is an important component of the extracellular matrix. These play critical roles in the pathophysiological changes including cardiovascular remodeling and hypertrophy in response to hypertension. This study was performed to examine the regulation of AGT and FN gene in cardiac myocytes (CMs) and vascular smooth muscle cells (VSMCs) in response to mechanical stretch. Mechanical stretch significantly increased the AGT mRNA expression in CMs, while these stimuli did not affect FN mRNA levels. On the other hand, Mechanical stretch upregulated FN mRNA levels in VSMCs, whereas no increase in AGT mRNA levels was observed in response to stretch stimuli. An angiotensin II type 1 (AT1) receptor antagonist (CV11974) significantly decreased these stretch-mediated increases in mRNA level and promoter activity of the AGT and FN gene, whereas angiotensin II type 2 (AT2) receptor antagonist (PD123319) did not affect the induction. These results indicate that mechanical stretch activates transcription of the AGT and FN gene mainly via AT1 receptor-pathway in CMs and VSMCs. Furthermore, mechanisms regulating AGT and FN gene seem to be different between CMs and VSMCs.
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  • 95
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    Molecular and cellular biochemistry 212 (2000), S. 211-217 
    ISSN: 1573-4919
    Keywords: angiotensin receptor ; medullary thick ascending limb ; sodium intake ; primary cell culture ; gene expression
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Angiotensin II (Ang II) is an important regulator of the function of medullary thick ascending limb of loop of Henle (MTAL). Recent studies showed that changes in Ang II receptor expression occur and underlie changes in the function of proximal tubules during altered sodium intake. The present experiment was designed to determine (1) whether expression of the type 1 Ang II (AT1) receptor in the MTAL is regulated by altered sodium intake, and (2) the specific pathway(s) mediating sodium-induced AT1 expression in the MTAL. Wistar rats were fed a normal sodium (0.5%, NS), low sodium (0.07%, LS), or high sodium (4%, HS) diet for 2 weeks. Northern blot analysis and radioligand binding showed that in rats fed a normal sodium diet the rank of order for both AT1 mRNA expression and receptor density was outer medulla 〉 cortex 〉 inner medulla. Sodium restriction significantly increased both AT1 mRNA expression and receptor density in the outer medulla. In contrast, neither AT1 mRNA expression nor receptor density in the outer medulla was altered by sodium loading. Losartan treatment (3 mg/kg/per day by oral gavage for 2 weeks) prevented low sodium-induced upregulation of the AT1 receptor in the outer medulla, but it had no effect on AT1 expression in the outer medulla of rats fed a normal sodium diet. Highly purified suspensions of MTAL were isolated from rats fed a normal or low sodium diet. Low sodium intake significantly increased AT1 mRNA level by 184% and AT1 receptor density by 58% in MTALs. Primary cultures of MTAL cells were treated with PBS, Ang II (10-8 M), and Ang II + 17 octadecynoic (17 ODYA, 10 μM). Ang II caused about 2-fold increase in AT1 mRNA levels, and this increase was diminished by about 30% by the addition of 17 ODYA. We conclude that (1) sodium restriction but not sodium loading increases AT1 receptor expression in the MTAL, (2) low sodium-induced upregulation of the AT1 receptor in the MTAL is Ang II-dependent, and (3) Ang II-induced upregulation of the AT1 receptor in the MTAL is mediated, at least in part, by cytochrome P450 pathways.
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  • 96
    ISSN: 1573-4919
    Keywords: renin angiotensin system ; sarcoplasmic reticulum ; Ca2+-handling ; gene expression ; ischemia-reperfusion ; cardioprotection
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract The aim of this study was to explore the possible participation of cardiac renin-angiotensin system (RAS) in the ischemia-reperfusion induced changes in heart function as well as Ca2+-handling activities and gene expression of cardiac sarcoplasmic reticulum (SR) proteins. The isolated rat hearts, treated for 10 min without and with 30 μM captopril or 100 μM losartan, were subjected to 30 min ischemia followed by reperfusion for 60 min and processed for the measurement of SR function and gene expression. Attenuated recovery of the left ventricular developed pressure (LVDP) upon reperfusion of the ischemic heart was accompanied by a marked reduction in SR Ca2+-pump ATPase, Ca2+-uptake and Ca2+-release activities. Northern blot analysis revealed that mRNA levels for SR Ca2+-handling proteins such as Ca2+-pump ATPase (SERCA2a), ryanodine receptor, calsequestrin and phospholamban were decreased in the ischemia-reperfused heart as compared with the non-ischemic control. Treatment with captopril improved the recovery of LVDP as well as SR Ca2+-pump ATPase and Ca2+-uptake activities in the postischemic hearts but had no effect on changes in Ca2+-release activity due to ischemic-reperfusion. Losartan neither affected the changes in contractile function nor modified alterations in SR Ca2+-handling activities. The ischemia-reperfusion induced decrease in mRNA levels for SR Ca2+-handling proteins were not affected by treatment with captopril or losartan. The results suggest that the improvement of cardiac function in the ischemic-reperfused heart by captopril is associated with the preservation of SR Ca2+-pump activities; however, it is unlikely that this action of captopril is mediated through the modification of cardiac RAS. Furthermore, cardiac RAS does not appear to contribute towards the ischemia-reperfusion induced changes in gene expression for SR Ca2+-handling proteins.
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  • 97
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    Molecular and cellular biochemistry 212 (2000), S. 145-153 
    ISSN: 1573-4919
    Keywords: angiotensin ; antisense ; oligodeoxynucleotide ; plasmid ; adeno-associated virus ; hypertension
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract Overactive renin-angiotensin system has been indicated in numerous pathological situations. Current treatment is based on pharmaceutical compounds, which work on the proteins level. Undisputedly helpful, it is not, however, flawless. Some of the drawbacks include adverse effects and non-compliance problem, since in many cases medicine has to be taken at least once a day for a long time. Therefore it seems logical to try a different approach, for instance to correct the disease at the gene expression level, possibly having a choice of shorter or longer-lasting effects. This current review combines results, relevant to the angiotensin system, with the antisense approach, which decreases amount of target protein by interfering at the mRNA level. Dependent on the tool used - oligodeoxynucleotide, plasmid or viral vector, the antisense effect lasts from few days to months.
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  • 98
    ISSN: 1573-4919
    Keywords: pressure overload ; gene expression ; subcellular remodeling ; sarcoplasmic reticulum Ca2+-handling ; anti-hypertensive therapy
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract The effects of propranolol and verapamil on contractile dysfunction, subcellular remodeling and changes in gene expression in cardiac hypertrophy due to pressure overload were examined. Rats were subjected to banding of the abdominal aorta and then treated with either propranolol (10 mg/kg daily), verapamil (5 mg/kg daily) or vehicle for 8 weeks after the surgery. Depression of the left ventricular function in the hypertrophied heart was associated with decreases in myofibrillar and myosin CA2+ ATPase activities as well as Ca2+-pump and Ca2+-release activities of the sarcoplasmic reticulum (SR). The level of a-myosin heavy chain (α-MHC) mRNA was decreased while that of β-MHC mRNA was increased in the pressure-overloaded heart. The level of SR Ca2+-pump ATPase (SERCA2) mRNA and protein content for SERCA2 were decreased in the pressure overloaded heart. Treatment of the hypertrophied animals with propranolol or verapamil resulted in preservation of the left ventricular function and prevention of the subcellular alterations. Shift in the α- and β-MHC mRNA levels and changes in the expression in SERCA2 mRNA level and protein content were also attenuated by these treatments. The results suggest that blockade of β-adrenoceptors or voltage-dependent calcium channels normalizes the cardiac gene expression, prevents subcellular remodeling and thus attenuates heart dysfunction in rats with cardiac hypertrophy. Furthermore, both cardiac β-adrenoceptors and L-type Ca2+-channels may be involved in the genesis of cardiac hypertrophy due to pressure overload.
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  • 99
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    Molecular and cellular biochemistry 213 (2000), S. 119-126 
    ISSN: 1573-4919
    Keywords: TIS11 ; an immediate early gene ; gene cloning ; gene expression ; gene organization ; promoter
    Source: Springer Online Journal Archives 1860-2000
    Topics: Biology , Chemistry and Pharmacology , Medicine
    Notes: Abstract The TIS11 gene is an immediate early gene that is induced rapidly and transiently by phorbol 12-myristate 13-acetate and various growth factors. To study transcriptional regulation of the gene, a genomic clone of rat TIS11 was isolated, and the organization of exon-intron structure and transcriptional initiation site were determined. The rat TIS11 gene consisted of 2 exons spanning approximately 2.5 kb. Several canonical sequences for binding of transcriptional factors were found in the 5′-flanking region. The 5.3 kb of the 5′-flanking region fused to a luciferase reporter gene showed promoter activity when introduced into rat pheochromocytoma PC12 cells. Analyses with serial 5′-deletion mutants suggested that the major positive regulatory region is located at the region of -241 to -76, and that the minimum promoter region is within the 76-bp upstream of the transcriptional initiation site. Gel mobility shift assays revealed that PC12 cell nuclear proteins specifically bind to the major positive regulatory region of the TIS11 gene. The identified nuclear protein components may act as the positive trans-acting factors in the basal expression of the TIS11 gene in PC12 cells.
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  • 100
    ISSN: 1871-4528
    Keywords: Solanum tuberosum L. ; plant development ; antioxidant genes ; gene expression
    Source: Springer Online Journal Archives 1860-2000
    Topics: Agriculture, Forestry, Horticulture, Fishery, Domestic Science, Nutrition
    Notes: Summary The expression of antioxidant genes has been analyzed in a potato plant and during tuber dormancy. Manganese superoxide dismutase (MnSOD), cytosolic copper and zinc superoide dismutase (Cu/ZnSOD), catalase class II, cytosolic ascorbate peroxidase (APX) and glutathione peroxidase (GPX) are expressed at the RNA level in all the contexts analyzed. By contrast, the expression of the iron superoxide dismutase (FeSOD) and plastidic Cu/ZnSOD seems to be limited to green tissues, as shown by northern blots and native gels. A complex DAB-peroxidase isozyme pattern (using diaminobenzidine as substrate) has been observed in different developmental contexts analyzed, but hardly observed in tubers. During tuber dormancy, MnSOD and cytosolic Cu/ZnSOD activity was relatively constant in both Désirée and Bintje varieties while catalase activity decreases. Moreover, tuber dormancy breakage did not involve significant changes in the activity of these enzymes. On the basis of these results, the possible link between active oxygen species (AOS) metabolism and dormancy is discussed.
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